USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1371 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 106 LYS NZ :NH3+ -150:sc= 0.883 (180deg=0.38) USER MOD Set 1.2: A 114 THR OG1 : rot 72:sc= 0.477 USER MOD Set 2.1: A 109 THR OG1 : rot -38:sc= -0.769 USER MOD Set 2.2: A 176 HIS : no HD1:sc= -8.29! C(o=-9.1!,f=-15!) USER MOD Set 3.1: A 84 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 105 SER OG : rot -39:sc= 1.83 USER MOD Set 4.1: A 29 CYS SG : rot 180:sc= 1.87 USER MOD Set 4.2: A 81 TYR OH : rot 10:sc= 1.42 USER MOD Set 5.1: A 5 SER OG : rot 83:sc= 0.866 USER MOD Set 5.2: A 75 ASN : amide:sc= -2.07! C(o=-1.2!,f=-5.3!) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0209) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 137:sc= 1.14 (180deg=-0.165) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -161:sc= -0.206 (180deg=-1.13) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 76:sc= -0.107 USER MOD Single : A 24 MET CE :methyl 174:sc= -0.197 (180deg=-0.213) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 177:sc= -2.11 (180deg=-2.18) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -139:sc= -1.19! USER MOD Single : A 57 LYS NZ :NH3+ 130:sc= 0.42 (180deg=-0.335) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.197) USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= 2.16 (180deg=0.0525) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 143:sc= -2.05 (180deg=-5.41!) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.03) USER MOD Single : A 85 GLN : amide:sc= -0.0547 K(o=-0.055,f=-5.7!) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 1.78 (180deg=1.64) USER MOD Single : A 92 MET CE :methyl 147:sc= -1.4 (180deg=-3.06!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -128:sc= -0.518 (180deg=-1.97!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 150:sc= -2.05 (180deg=-4.13!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 111 MET CE :methyl 160:sc= -8.57! (180deg=-11.9!) USER MOD Single : A 113 MET CE :methyl -169:sc= -0.0414 (180deg=-0.299) USER MOD Single : A 116 CYS SG : rot -150:sc= -0.651 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -2.23! X(o=-2.2!,f=-2.4) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 136:sc= 0.184 USER MOD Single : A 134 MET CE :methyl -147:sc= -0.0341 (180deg=-2.1!) USER MOD Single : A 137 LYS NZ :NH3+ -169:sc= -0.0147 (180deg=-0.14) USER MOD Single : A 138 LYS NZ :NH3+ -172:sc= 0.348 (180deg=-0.336) USER MOD Single : A 172 ASN : amide:sc= -1.81! X(o=-1.8!,f=-1.5) USER MOD Single : A 179 THR OG1 : rot 92:sc= -0.0715 USER MOD Single : A 183 GLN : amide:sc= -1.71 K(o=-1.7,f=-5.3!) USER MOD Single : A 188 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-0.68) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 161:sc= -0.153 (180deg=-0.565) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -28.666 2.016 6.414 1.00 1.00 N ATOM 107 CA VAL A 2 -27.461 2.221 7.196 1.00 0.98 C ATOM 108 C VAL A 2 -26.314 1.557 6.490 1.00 0.79 C ATOM 109 O VAL A 2 -25.227 1.387 7.023 1.00 0.92 O ATOM 110 CB VAL A 2 -27.575 1.689 8.644 1.00 1.21 C ATOM 111 CG1 VAL A 2 -28.629 2.462 9.423 1.00 1.56 C ATOM 112 CG2 VAL A 2 -27.889 0.197 8.657 1.00 1.32 C ATOM 0 HA VAL A 2 -27.298 3.295 7.281 1.00 0.98 H new ATOM 0 HB VAL A 2 -26.611 1.837 9.130 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -28.691 2.070 10.438 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -28.356 3.517 9.457 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -29.596 2.354 8.932 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -27.963 -0.150 9.688 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -28.835 0.020 8.145 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -27.093 -0.347 8.148 1.00 1.32 H new ATOM 122 N ALA A 3 -26.576 1.258 5.249 1.00 0.66 N ATOM 123 CA ALA A 3 -25.642 0.552 4.407 1.00 0.55 C ATOM 124 C ALA A 3 -24.822 1.545 3.633 1.00 0.60 C ATOM 125 O ALA A 3 -25.239 2.027 2.581 1.00 1.10 O ATOM 126 CB ALA A 3 -26.360 -0.391 3.467 1.00 0.63 C ATOM 0 H ALA A 3 -27.452 1.498 4.785 1.00 0.66 H new ATOM 0 HA ALA A 3 -24.985 -0.048 5.037 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.631 -0.909 2.845 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.927 -1.120 4.046 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.041 0.176 2.832 1.00 0.63 H new ATOM 132 N LEU A 4 -23.719 1.919 4.248 1.00 0.45 N ATOM 133 CA LEU A 4 -22.709 2.790 3.667 1.00 0.41 C ATOM 134 C LEU A 4 -22.660 2.734 2.146 1.00 0.39 C ATOM 135 O LEU A 4 -22.316 1.718 1.553 1.00 0.38 O ATOM 136 CB LEU A 4 -21.349 2.415 4.247 1.00 0.41 C ATOM 137 CG LEU A 4 -21.031 2.978 5.641 1.00 0.56 C ATOM 138 CD1 LEU A 4 -22.098 2.624 6.663 1.00 1.16 C ATOM 139 CD2 LEU A 4 -19.684 2.464 6.105 1.00 1.46 C ATOM 0 H LEU A 4 -23.490 1.618 5.195 1.00 0.45 H new ATOM 0 HA LEU A 4 -22.976 3.816 3.922 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.283 1.328 4.293 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.576 2.752 3.556 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.008 4.065 5.558 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -21.828 3.044 7.632 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.057 3.033 6.345 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -22.176 1.540 6.747 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -19.462 2.866 7.094 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -19.707 1.375 6.152 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -18.912 2.781 5.403 1.00 1.46 H new ATOM 151 N SER A 5 -22.990 3.862 1.544 1.00 0.41 N ATOM 152 CA SER A 5 -22.943 4.012 0.105 1.00 0.42 C ATOM 153 C SER A 5 -21.597 4.612 -0.254 1.00 0.37 C ATOM 154 O SER A 5 -21.372 5.811 -0.075 1.00 0.42 O ATOM 155 CB SER A 5 -24.089 4.897 -0.395 1.00 0.51 C ATOM 156 OG SER A 5 -25.351 4.329 -0.084 1.00 1.28 O ATOM 0 H SER A 5 -23.298 4.698 2.040 1.00 0.41 H new ATOM 0 HA SER A 5 -23.062 3.041 -0.376 1.00 0.42 H new ATOM 0 HB2 SER A 5 -24.011 5.886 0.057 1.00 0.51 H new ATOM 0 HB3 SER A 5 -24.004 5.031 -1.473 1.00 0.51 H new ATOM 0 HG SER A 5 -25.595 4.558 0.837 1.00 1.28 H new ATOM 162 N LEU A 6 -20.696 3.769 -0.716 1.00 0.31 N ATOM 163 CA LEU A 6 -19.314 4.161 -0.888 1.00 0.28 C ATOM 164 C LEU A 6 -18.944 4.175 -2.359 1.00 0.28 C ATOM 165 O LEU A 6 -19.363 3.302 -3.126 1.00 0.31 O ATOM 166 CB LEU A 6 -18.393 3.195 -0.132 1.00 0.26 C ATOM 167 CG LEU A 6 -18.799 2.902 1.317 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.815 1.944 1.968 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.898 4.187 2.121 1.00 0.62 C ATOM 0 H LEU A 6 -20.898 2.805 -0.980 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.189 5.166 -0.484 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.354 2.253 -0.679 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.383 3.606 -0.133 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.782 2.430 1.303 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.122 1.750 2.996 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.797 1.007 1.411 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.819 2.387 1.964 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.187 3.954 3.146 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.931 4.691 2.123 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.646 4.840 1.672 1.00 0.62 H new ATOM 181 N LYS A 7 -18.181 5.177 -2.755 1.00 0.29 N ATOM 182 CA LYS A 7 -17.656 5.233 -4.105 1.00 0.31 C ATOM 183 C LYS A 7 -16.400 4.396 -4.210 1.00 0.29 C ATOM 184 O LYS A 7 -15.351 4.771 -3.696 1.00 0.31 O ATOM 185 CB LYS A 7 -17.353 6.667 -4.526 1.00 0.39 C ATOM 186 CG LYS A 7 -18.559 7.409 -5.057 1.00 0.52 C ATOM 187 CD LYS A 7 -18.157 8.736 -5.671 1.00 0.63 C ATOM 188 CE LYS A 7 -19.288 9.330 -6.489 1.00 0.94 C ATOM 189 NZ LYS A 7 -20.487 9.615 -5.658 1.00 1.72 N ATOM 0 H LYS A 7 -17.912 5.962 -2.161 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.418 4.835 -4.775 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.950 7.210 -3.671 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.577 6.656 -5.292 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -19.066 6.798 -5.804 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.270 7.579 -4.249 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.871 9.432 -4.883 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -17.282 8.595 -6.305 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -18.948 10.251 -6.962 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.557 8.641 -7.289 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -21.197 10.112 -6.232 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -20.888 8.721 -5.309 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -20.216 10.212 -4.850 1.00 1.72 H new ATOM 203 N ILE A 8 -16.510 3.265 -4.872 1.00 0.28 N ATOM 204 CA ILE A 8 -15.387 2.373 -5.041 1.00 0.28 C ATOM 205 C ILE A 8 -14.566 2.804 -6.243 1.00 0.31 C ATOM 206 O ILE A 8 -14.934 2.549 -7.389 1.00 0.34 O ATOM 207 CB ILE A 8 -15.842 0.912 -5.229 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.672 0.446 -4.029 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.639 0.006 -5.437 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.936 0.520 -2.707 1.00 0.51 C ATOM 0 H ILE A 8 -17.375 2.941 -5.305 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.782 2.425 -4.136 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.471 0.857 -6.117 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.574 1.054 -3.966 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.992 -0.582 -4.198 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.976 -1.022 -5.568 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -14.093 0.325 -6.325 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.984 0.065 -4.567 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.590 0.174 -1.907 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -15.048 -0.111 -2.749 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.640 1.551 -2.513 1.00 0.51 H new ATOM 222 N SER A 9 -13.472 3.481 -5.977 1.00 0.33 N ATOM 223 CA SER A 9 -12.587 3.925 -7.031 1.00 0.39 C ATOM 224 C SER A 9 -11.519 2.866 -7.264 1.00 0.37 C ATOM 225 O SER A 9 -10.841 2.444 -6.333 1.00 0.45 O ATOM 226 CB SER A 9 -11.960 5.273 -6.661 1.00 0.46 C ATOM 227 OG SER A 9 -11.001 5.687 -7.619 1.00 1.48 O ATOM 0 H SER A 9 -13.173 3.737 -5.036 1.00 0.33 H new ATOM 0 HA SER A 9 -13.150 4.064 -7.954 1.00 0.39 H new ATOM 0 HB2 SER A 9 -12.742 6.028 -6.580 1.00 0.46 H new ATOM 0 HB3 SER A 9 -11.487 5.198 -5.682 1.00 0.46 H new ATOM 0 HG SER A 9 -10.623 6.551 -7.352 1.00 1.48 H new ATOM 233 N ILE A 10 -11.406 2.402 -8.495 1.00 0.40 N ATOM 234 CA ILE A 10 -10.428 1.385 -8.835 1.00 0.42 C ATOM 235 C ILE A 10 -9.542 1.886 -9.967 1.00 0.50 C ATOM 236 O ILE A 10 -9.816 1.646 -11.146 1.00 0.53 O ATOM 237 CB ILE A 10 -11.110 0.060 -9.241 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.150 -0.341 -8.190 1.00 0.38 C ATOM 239 CG2 ILE A 10 -10.071 -1.041 -9.405 1.00 0.45 C ATOM 240 CD1 ILE A 10 -13.028 -1.500 -8.604 1.00 0.43 C ATOM 0 H ILE A 10 -11.981 2.714 -9.278 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.819 1.189 -7.953 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.615 0.204 -10.196 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.635 -0.601 -7.265 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.782 0.520 -7.972 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.566 -1.969 -9.691 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.358 -0.756 -10.179 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.544 -1.187 -8.462 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.737 -1.722 -7.807 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.573 -1.238 -9.511 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.408 -2.376 -8.793 1.00 0.43 H new ATOM 252 N GLY A 11 -8.494 2.609 -9.601 1.00 0.59 N ATOM 253 CA GLY A 11 -7.643 3.235 -10.591 1.00 0.68 C ATOM 254 C GLY A 11 -8.302 4.450 -11.213 1.00 0.75 C ATOM 255 O GLY A 11 -8.092 5.581 -10.768 1.00 0.96 O ATOM 0 H GLY A 11 -8.217 2.774 -8.633 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.702 3.530 -10.127 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.401 2.513 -11.371 1.00 0.68 H new ATOM 259 N ASN A 12 -9.106 4.212 -12.237 1.00 0.75 N ATOM 260 CA ASN A 12 -9.830 5.280 -12.914 1.00 0.90 C ATOM 261 C ASN A 12 -11.329 5.124 -12.700 1.00 0.84 C ATOM 262 O ASN A 12 -12.023 6.086 -12.358 1.00 1.09 O ATOM 263 CB ASN A 12 -9.512 5.273 -14.414 1.00 1.09 C ATOM 264 CG ASN A 12 -10.325 6.293 -15.194 1.00 1.77 C ATOM 265 OD1 ASN A 12 -9.934 7.456 -15.309 1.00 2.62 O ATOM 266 ND2 ASN A 12 -11.453 5.867 -15.746 1.00 2.17 N ATOM 0 H ASN A 12 -9.275 3.282 -12.621 1.00 0.75 H new ATOM 0 HA ASN A 12 -9.512 6.233 -12.491 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -8.451 5.476 -14.556 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -9.703 4.278 -14.817 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -12.030 6.510 -16.288 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -11.744 4.896 -15.628 1.00 2.17 H new ATOM 273 N VAL A 13 -11.816 3.906 -12.901 1.00 0.65 N ATOM 274 CA VAL A 13 -13.236 3.603 -12.772 1.00 0.61 C ATOM 275 C VAL A 13 -13.717 3.812 -11.334 1.00 0.53 C ATOM 276 O VAL A 13 -12.953 3.657 -10.380 1.00 0.50 O ATOM 277 CB VAL A 13 -13.534 2.147 -13.223 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.840 1.137 -12.323 1.00 0.55 C ATOM 279 CG2 VAL A 13 -15.031 1.877 -13.274 1.00 0.65 C ATOM 0 H VAL A 13 -11.241 3.103 -13.157 1.00 0.65 H new ATOM 0 HA VAL A 13 -13.778 4.290 -13.422 1.00 0.61 H new ATOM 0 HB VAL A 13 -13.136 2.033 -14.231 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -13.068 0.128 -12.665 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.762 1.297 -12.359 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -13.191 1.261 -11.299 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -15.205 0.849 -13.593 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -15.462 2.027 -12.284 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -15.500 2.561 -13.981 1.00 0.65 H new ATOM 289 N VAL A 14 -14.982 4.171 -11.193 1.00 0.51 N ATOM 290 CA VAL A 14 -15.590 4.337 -9.887 1.00 0.46 C ATOM 291 C VAL A 14 -16.973 3.695 -9.874 1.00 0.41 C ATOM 292 O VAL A 14 -17.852 4.043 -10.665 1.00 0.45 O ATOM 293 CB VAL A 14 -15.661 5.824 -9.450 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.286 6.689 -10.527 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.422 5.972 -8.138 1.00 0.50 C ATOM 0 H VAL A 14 -15.611 4.354 -11.975 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.954 3.833 -9.159 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.638 6.168 -9.295 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.320 7.724 -10.188 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -15.689 6.625 -11.437 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.298 6.341 -10.732 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.457 7.024 -7.854 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.437 5.596 -8.262 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.917 5.403 -7.358 1.00 0.50 H new ATOM 305 N LYS A 15 -17.142 2.738 -8.984 1.00 0.39 N ATOM 306 CA LYS A 15 -18.383 1.998 -8.868 1.00 0.41 C ATOM 307 C LYS A 15 -19.039 2.322 -7.537 1.00 0.35 C ATOM 308 O LYS A 15 -18.356 2.546 -6.547 1.00 0.31 O ATOM 309 CB LYS A 15 -18.127 0.489 -8.975 1.00 0.50 C ATOM 310 CG LYS A 15 -17.643 0.033 -10.347 1.00 0.67 C ATOM 311 CD LYS A 15 -18.707 0.246 -11.412 1.00 0.80 C ATOM 312 CE LYS A 15 -18.253 -0.248 -12.778 1.00 1.02 C ATOM 313 NZ LYS A 15 -18.050 -1.723 -12.814 1.00 1.28 N ATOM 0 H LYS A 15 -16.423 2.451 -8.320 1.00 0.39 H new ATOM 0 HA LYS A 15 -19.046 2.289 -9.683 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.387 0.204 -8.228 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -19.047 -0.042 -8.732 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.741 0.583 -10.617 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.373 -1.022 -10.307 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.619 -0.276 -11.123 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -18.952 1.306 -11.473 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -18.994 0.032 -13.526 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.322 0.250 -13.050 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -18.450 -2.107 -13.694 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -17.032 -1.934 -12.775 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -18.526 -2.159 -11.999 1.00 1.28 H new ATOM 327 N THR A 16 -20.352 2.347 -7.505 1.00 0.38 N ATOM 328 CA THR A 16 -21.058 2.664 -6.280 1.00 0.37 C ATOM 329 C THR A 16 -21.498 1.378 -5.600 1.00 0.35 C ATOM 330 O THR A 16 -22.239 0.580 -6.177 1.00 0.39 O ATOM 331 CB THR A 16 -22.284 3.559 -6.544 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.875 4.762 -7.215 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.986 3.920 -5.240 1.00 0.45 C ATOM 0 H THR A 16 -20.952 2.153 -8.307 1.00 0.38 H new ATOM 0 HA THR A 16 -20.377 3.215 -5.632 1.00 0.37 H new ATOM 0 HB THR A 16 -22.981 3.005 -7.173 1.00 0.45 H new ATOM 0 HG1 THR A 16 -22.659 5.326 -7.382 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.848 4.552 -5.454 1.00 0.45 H new ATOM 0 HG22 THR A 16 -23.318 3.009 -4.742 1.00 0.45 H new ATOM 0 HG23 THR A 16 -22.294 4.457 -4.591 1.00 0.45 H new ATOM 341 N MET A 17 -21.012 1.164 -4.389 1.00 0.31 N ATOM 342 CA MET A 17 -21.293 -0.055 -3.650 1.00 0.32 C ATOM 343 C MET A 17 -21.727 0.283 -2.243 1.00 0.32 C ATOM 344 O MET A 17 -21.310 1.297 -1.686 1.00 0.31 O ATOM 345 CB MET A 17 -20.060 -0.958 -3.610 1.00 0.34 C ATOM 346 CG MET A 17 -20.084 -2.081 -4.630 1.00 0.44 C ATOM 347 SD MET A 17 -21.107 -3.474 -4.113 1.00 1.04 S ATOM 348 CE MET A 17 -20.207 -4.071 -2.678 1.00 0.40 C ATOM 0 H MET A 17 -20.415 1.826 -3.893 1.00 0.31 H new ATOM 0 HA MET A 17 -22.098 -0.588 -4.157 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.171 -0.349 -3.776 1.00 0.34 H new ATOM 0 HB3 MET A 17 -19.970 -1.389 -2.613 1.00 0.34 H new ATOM 0 HG2 MET A 17 -20.456 -1.695 -5.579 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.066 -2.429 -4.804 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.509 -5.095 -2.459 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.137 -4.044 -2.883 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.428 -3.436 -1.820 1.00 0.40 H new ATOM 358 N GLN A 18 -22.567 -0.553 -1.677 1.00 0.36 N ATOM 359 CA GLN A 18 -22.986 -0.379 -0.304 1.00 0.37 C ATOM 360 C GLN A 18 -22.482 -1.514 0.555 1.00 0.35 C ATOM 361 O GLN A 18 -22.457 -2.671 0.130 1.00 0.38 O ATOM 362 CB GLN A 18 -24.500 -0.267 -0.222 1.00 0.44 C ATOM 363 CG GLN A 18 -24.999 1.069 -0.717 1.00 0.49 C ATOM 364 CD GLN A 18 -26.401 0.998 -1.271 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.228 0.204 -0.824 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.666 1.818 -2.271 1.00 0.60 N ATOM 0 H GLN A 18 -22.974 -1.362 -2.146 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.554 0.547 0.075 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.954 -1.064 -0.811 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.818 -0.412 0.810 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.972 1.788 0.102 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.326 1.440 -1.490 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.948 2.460 -2.608 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.588 1.810 -2.706 1.00 0.60 H new ATOM 375 N PHE A 19 -22.075 -1.174 1.763 1.00 0.34 N ATOM 376 CA PHE A 19 -21.538 -2.125 2.706 1.00 0.33 C ATOM 377 C PHE A 19 -22.190 -1.852 4.044 1.00 0.37 C ATOM 378 O PHE A 19 -22.712 -0.759 4.264 1.00 0.40 O ATOM 379 CB PHE A 19 -20.021 -1.961 2.852 1.00 0.29 C ATOM 380 CG PHE A 19 -19.232 -2.246 1.608 1.00 0.27 C ATOM 381 CD1 PHE A 19 -18.966 -1.242 0.690 1.00 0.30 C ATOM 382 CD2 PHE A 19 -18.741 -3.515 1.369 1.00 0.33 C ATOM 383 CE1 PHE A 19 -18.226 -1.504 -0.447 1.00 0.31 C ATOM 384 CE2 PHE A 19 -18.001 -3.784 0.234 1.00 0.36 C ATOM 385 CZ PHE A 19 -17.742 -2.777 -0.675 1.00 0.31 C ATOM 0 H PHE A 19 -22.110 -0.218 2.117 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.738 -3.138 2.357 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.810 -0.941 3.173 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.673 -2.623 3.645 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.341 -0.245 0.865 1.00 0.30 H new ATOM 0 HD2 PHE A 19 -18.938 -4.306 2.078 1.00 0.33 H new ATOM 0 HE1 PHE A 19 -18.026 -0.714 -1.156 1.00 0.31 H new ATOM 0 HE2 PHE A 19 -17.625 -4.781 0.058 1.00 0.36 H new ATOM 0 HZ PHE A 19 -17.162 -2.985 -1.562 1.00 0.31 H new ATOM 395 N GLU A 20 -22.187 -2.820 4.928 1.00 0.39 N ATOM 396 CA GLU A 20 -22.675 -2.591 6.269 1.00 0.43 C ATOM 397 C GLU A 20 -21.679 -1.724 7.032 1.00 0.44 C ATOM 398 O GLU A 20 -20.481 -1.756 6.754 1.00 0.47 O ATOM 399 CB GLU A 20 -22.901 -3.911 7.005 1.00 0.50 C ATOM 400 CG GLU A 20 -23.926 -4.820 6.345 1.00 0.61 C ATOM 401 CD GLU A 20 -23.405 -5.499 5.092 1.00 0.90 C ATOM 402 OE1 GLU A 20 -22.172 -5.669 4.968 1.00 1.06 O ATOM 403 OE2 GLU A 20 -24.227 -5.868 4.226 1.00 1.42 O ATOM 0 H GLU A 20 -21.855 -3.767 4.747 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.633 -2.075 6.207 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -21.952 -4.442 7.076 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.224 -3.696 8.024 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -24.240 -5.581 7.059 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.811 -4.236 6.092 1.00 0.61 H new ATOM 410 N PRO A 21 -22.166 -0.908 7.975 1.00 0.50 N ATOM 411 CA PRO A 21 -21.312 -0.079 8.820 1.00 0.53 C ATOM 412 C PRO A 21 -20.155 -0.872 9.427 1.00 0.53 C ATOM 413 O PRO A 21 -19.072 -0.331 9.672 1.00 0.65 O ATOM 414 CB PRO A 21 -22.245 0.447 9.917 1.00 0.57 C ATOM 415 CG PRO A 21 -23.645 0.105 9.505 1.00 0.61 C ATOM 416 CD PRO A 21 -23.589 -0.693 8.232 1.00 0.62 C ATOM 0 HA PRO A 21 -20.843 0.720 8.246 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.004 -0.007 10.878 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.131 1.524 10.036 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.141 -0.468 10.289 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.228 1.014 9.357 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.117 -1.641 8.338 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -24.061 -0.155 7.409 1.00 0.62 H new ATOM 424 N SER A 22 -20.383 -2.154 9.666 1.00 0.50 N ATOM 425 CA SER A 22 -19.322 -3.034 10.100 1.00 0.61 C ATOM 426 C SER A 22 -18.546 -3.557 8.888 1.00 0.84 C ATOM 427 O SER A 22 -17.462 -3.048 8.584 1.00 1.64 O ATOM 428 CB SER A 22 -19.895 -4.193 10.918 1.00 0.68 C ATOM 429 OG SER A 22 -20.747 -3.714 11.946 1.00 1.32 O ATOM 0 H SER A 22 -21.293 -2.603 9.566 1.00 0.50 H new ATOM 0 HA SER A 22 -18.635 -2.475 10.736 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.450 -4.866 10.264 1.00 0.68 H new ATOM 0 HB3 SER A 22 -19.082 -4.772 11.355 1.00 0.68 H new ATOM 0 HG SER A 22 -21.103 -4.472 12.455 1.00 1.32 H new ATOM 435 N THR A 23 -19.161 -4.508 8.165 1.00 0.41 N ATOM 436 CA THR A 23 -18.533 -5.259 7.074 1.00 0.49 C ATOM 437 C THR A 23 -17.150 -5.808 7.434 1.00 0.63 C ATOM 438 O THR A 23 -17.011 -7.009 7.659 1.00 1.47 O ATOM 439 CB THR A 23 -18.442 -4.428 5.787 1.00 0.51 C ATOM 440 OG1 THR A 23 -19.749 -4.032 5.378 1.00 0.68 O ATOM 441 CG2 THR A 23 -17.806 -5.232 4.677 1.00 0.50 C ATOM 0 H THR A 23 -20.130 -4.779 8.330 1.00 0.41 H new ATOM 0 HA THR A 23 -19.189 -6.112 6.901 1.00 0.49 H new ATOM 0 HB THR A 23 -17.829 -3.550 5.989 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.065 -3.304 5.953 1.00 0.68 H new ATOM 0 HG21 THR A 23 -17.751 -4.625 3.773 1.00 0.50 H new ATOM 0 HG22 THR A 23 -16.801 -5.532 4.975 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.407 -6.120 4.481 1.00 0.50 H new ATOM 449 N MET A 24 -16.161 -4.909 7.494 1.00 0.54 N ATOM 450 CA MET A 24 -14.755 -5.236 7.737 1.00 0.48 C ATOM 451 C MET A 24 -14.046 -5.516 6.418 1.00 0.43 C ATOM 452 O MET A 24 -14.596 -6.168 5.536 1.00 0.47 O ATOM 453 CB MET A 24 -14.603 -6.406 8.714 1.00 0.60 C ATOM 454 CG MET A 24 -13.456 -6.251 9.681 1.00 0.57 C ATOM 455 SD MET A 24 -13.686 -7.246 11.163 1.00 0.83 S ATOM 456 CE MET A 24 -12.578 -6.404 12.280 1.00 0.71 C ATOM 0 H MET A 24 -16.322 -3.909 7.372 1.00 0.54 H new ATOM 0 HA MET A 24 -14.283 -4.373 8.207 1.00 0.48 H new ATOM 0 HB2 MET A 24 -15.529 -6.517 9.279 1.00 0.60 H new ATOM 0 HB3 MET A 24 -14.464 -7.325 8.145 1.00 0.60 H new ATOM 0 HG2 MET A 24 -12.527 -6.540 9.191 1.00 0.57 H new ATOM 0 HG3 MET A 24 -13.356 -5.202 9.960 1.00 0.57 H new ATOM 0 HE1 MET A 24 -12.678 -6.827 13.279 1.00 0.71 H new ATOM 0 HE2 MET A 24 -11.551 -6.526 11.935 1.00 0.71 H new ATOM 0 HE3 MET A 24 -12.827 -5.343 12.309 1.00 0.71 H new ATOM 466 N VAL A 25 -12.839 -4.974 6.297 1.00 0.40 N ATOM 467 CA VAL A 25 -12.055 -5.028 5.057 1.00 0.38 C ATOM 468 C VAL A 25 -12.100 -6.394 4.369 1.00 0.39 C ATOM 469 O VAL A 25 -12.445 -6.483 3.191 1.00 0.39 O ATOM 470 CB VAL A 25 -10.592 -4.634 5.313 1.00 0.41 C ATOM 471 CG1 VAL A 25 -9.720 -4.890 4.090 1.00 0.42 C ATOM 472 CG2 VAL A 25 -10.535 -3.176 5.702 1.00 0.40 C ATOM 0 H VAL A 25 -12.370 -4.481 7.057 1.00 0.40 H new ATOM 0 HA VAL A 25 -12.521 -4.309 4.383 1.00 0.38 H new ATOM 0 HB VAL A 25 -10.202 -5.250 6.123 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -8.692 -4.599 4.309 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -9.751 -5.950 3.836 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.092 -4.304 3.249 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -9.500 -2.889 5.885 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -10.943 -2.568 4.895 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.121 -3.018 6.607 1.00 0.40 H new ATOM 482 N TYR A 26 -11.769 -7.451 5.103 1.00 0.42 N ATOM 483 CA TYR A 26 -11.707 -8.783 4.509 1.00 0.45 C ATOM 484 C TYR A 26 -13.082 -9.241 4.009 1.00 0.43 C ATOM 485 O TYR A 26 -13.182 -9.949 3.007 1.00 0.42 O ATOM 486 CB TYR A 26 -11.106 -9.804 5.488 1.00 0.52 C ATOM 487 CG TYR A 26 -11.959 -10.104 6.699 1.00 0.56 C ATOM 488 CD1 TYR A 26 -12.011 -9.228 7.775 1.00 0.58 C ATOM 489 CD2 TYR A 26 -12.706 -11.273 6.769 1.00 0.70 C ATOM 490 CE1 TYR A 26 -12.785 -9.508 8.881 1.00 0.65 C ATOM 491 CE2 TYR A 26 -13.483 -11.557 7.874 1.00 0.78 C ATOM 492 CZ TYR A 26 -13.518 -10.672 8.926 1.00 0.72 C ATOM 493 OH TYR A 26 -14.291 -10.948 10.028 1.00 0.83 O ATOM 0 H TYR A 26 -11.542 -7.414 6.097 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.046 -8.722 3.644 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -10.922 -10.735 4.952 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -10.138 -9.435 5.826 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -11.437 -8.314 7.745 1.00 0.58 H new ATOM 0 HD2 TYR A 26 -12.678 -11.971 5.945 1.00 0.70 H new ATOM 0 HE1 TYR A 26 -12.816 -8.816 9.710 1.00 0.65 H new ATOM 0 HE2 TYR A 26 -14.060 -12.469 7.912 1.00 0.78 H new ATOM 0 HH TYR A 26 -14.746 -11.807 9.902 1.00 0.83 H new ATOM 503 N ASP A 27 -14.139 -8.806 4.686 1.00 0.43 N ATOM 504 CA ASP A 27 -15.501 -9.152 4.289 1.00 0.44 C ATOM 505 C ASP A 27 -15.917 -8.328 3.077 1.00 0.39 C ATOM 506 O ASP A 27 -16.553 -8.831 2.155 1.00 0.40 O ATOM 507 CB ASP A 27 -16.463 -8.919 5.456 1.00 0.50 C ATOM 508 CG ASP A 27 -17.909 -9.244 5.124 1.00 0.91 C ATOM 509 OD1 ASP A 27 -18.246 -10.439 5.010 1.00 1.24 O ATOM 510 OD2 ASP A 27 -18.704 -8.302 4.938 1.00 1.48 O ATOM 0 H ASP A 27 -14.080 -8.212 5.513 1.00 0.43 H new ATOM 0 HA ASP A 27 -15.536 -10.207 4.018 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -16.148 -9.528 6.303 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -16.396 -7.877 5.769 1.00 0.50 H new ATOM 515 N ALA A 28 -15.546 -7.056 3.082 1.00 0.37 N ATOM 516 CA ALA A 28 -15.791 -6.180 1.945 1.00 0.33 C ATOM 517 C ALA A 28 -15.108 -6.713 0.693 1.00 0.32 C ATOM 518 O ALA A 28 -15.701 -6.739 -0.388 1.00 0.31 O ATOM 519 CB ALA A 28 -15.305 -4.773 2.251 1.00 0.33 C ATOM 0 H ALA A 28 -15.072 -6.606 3.865 1.00 0.37 H new ATOM 0 HA ALA A 28 -16.865 -6.150 1.762 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.494 -4.128 1.393 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -15.836 -4.385 3.120 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.235 -4.795 2.460 1.00 0.33 H new ATOM 525 N CYS A 29 -13.865 -7.151 0.863 1.00 0.35 N ATOM 526 CA CYS A 29 -13.051 -7.660 -0.234 1.00 0.37 C ATOM 527 C CYS A 29 -13.739 -8.808 -0.976 1.00 0.38 C ATOM 528 O CYS A 29 -13.590 -8.940 -2.191 1.00 0.40 O ATOM 529 CB CYS A 29 -11.693 -8.127 0.302 1.00 0.45 C ATOM 530 SG CYS A 29 -10.574 -8.780 -0.960 1.00 1.37 S ATOM 0 H CYS A 29 -13.393 -7.163 1.767 1.00 0.35 H new ATOM 0 HA CYS A 29 -12.910 -6.846 -0.946 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.207 -7.290 0.803 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -11.859 -8.897 1.056 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.457 -9.144 -0.403 1.00 1.37 H new ATOM 536 N ARG A 30 -14.506 -9.622 -0.259 1.00 0.40 N ATOM 537 CA ARG A 30 -15.118 -10.794 -0.874 1.00 0.44 C ATOM 538 C ARG A 30 -16.345 -10.406 -1.696 1.00 0.42 C ATOM 539 O ARG A 30 -16.600 -10.981 -2.753 1.00 0.45 O ATOM 540 CB ARG A 30 -15.476 -11.851 0.176 1.00 0.49 C ATOM 541 CG ARG A 30 -16.675 -11.510 1.044 1.00 0.53 C ATOM 542 CD ARG A 30 -16.874 -12.565 2.115 1.00 0.71 C ATOM 543 NE ARG A 30 -17.950 -12.230 3.034 1.00 1.12 N ATOM 544 CZ ARG A 30 -18.859 -13.101 3.466 1.00 1.68 C ATOM 545 NH1 ARG A 30 -18.868 -14.347 3.008 1.00 1.94 N ATOM 546 NH2 ARG A 30 -19.759 -12.720 4.361 1.00 2.41 N ATOM 0 H ARG A 30 -14.716 -9.496 0.731 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.384 -11.232 -1.550 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -15.671 -12.795 -0.332 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -14.612 -12.008 0.821 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.529 -10.535 1.509 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -17.570 -11.438 0.426 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -17.090 -13.523 1.641 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -15.947 -12.689 2.675 1.00 0.71 H new ATOM 0 HE ARG A 30 -18.012 -11.268 3.368 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -18.175 -14.643 2.320 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -19.568 -15.009 3.344 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -19.753 -11.764 4.715 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -20.458 -13.383 4.696 1.00 2.41 H new ATOM 560 N MET A 31 -17.088 -9.415 -1.219 1.00 0.39 N ATOM 561 CA MET A 31 -18.301 -8.981 -1.896 1.00 0.40 C ATOM 562 C MET A 31 -17.980 -8.093 -3.087 1.00 0.38 C ATOM 563 O MET A 31 -18.600 -8.210 -4.139 1.00 0.44 O ATOM 564 CB MET A 31 -19.212 -8.232 -0.929 1.00 0.39 C ATOM 565 CG MET A 31 -19.532 -9.027 0.323 1.00 0.43 C ATOM 566 SD MET A 31 -20.540 -8.104 1.491 1.00 0.45 S ATOM 567 CE MET A 31 -19.366 -6.845 1.965 1.00 0.39 C ATOM 0 H MET A 31 -16.871 -8.898 -0.367 1.00 0.39 H new ATOM 0 HA MET A 31 -18.814 -9.872 -2.258 1.00 0.40 H new ATOM 0 HB2 MET A 31 -18.737 -7.293 -0.645 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.142 -7.977 -1.438 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.053 -9.943 0.044 1.00 0.43 H new ATOM 0 HG3 MET A 31 -18.602 -9.324 0.807 1.00 0.43 H new ATOM 0 HE1 MET A 31 -19.841 -6.145 2.652 1.00 0.39 H new ATOM 0 HE2 MET A 31 -18.511 -7.311 2.455 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.028 -6.310 1.077 1.00 0.39 H new ATOM 577 N ILE A 32 -17.008 -7.207 -2.923 1.00 0.34 N ATOM 578 CA ILE A 32 -16.673 -6.261 -3.976 1.00 0.33 C ATOM 579 C ILE A 32 -16.183 -6.982 -5.234 1.00 0.36 C ATOM 580 O ILE A 32 -16.632 -6.680 -6.333 1.00 0.40 O ATOM 581 CB ILE A 32 -15.637 -5.217 -3.501 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.393 -4.187 -4.600 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.328 -5.874 -3.082 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.428 -3.104 -4.198 1.00 0.48 C ATOM 0 H ILE A 32 -16.442 -7.124 -2.078 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.588 -5.724 -4.228 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.044 -4.714 -2.624 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.010 -4.695 -5.485 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.343 -3.732 -4.879 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.625 -5.108 -2.754 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.515 -6.569 -2.263 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -13.906 -6.416 -3.928 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.300 -2.406 -5.025 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.819 -2.572 -3.331 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.465 -3.549 -3.947 1.00 0.48 H new ATOM 596 N ARG A 33 -15.286 -7.948 -5.057 1.00 0.36 N ATOM 597 CA ARG A 33 -14.805 -8.774 -6.167 1.00 0.41 C ATOM 598 C ARG A 33 -15.941 -9.571 -6.799 1.00 0.45 C ATOM 599 O ARG A 33 -15.894 -9.911 -7.983 1.00 0.49 O ATOM 600 CB ARG A 33 -13.701 -9.721 -5.696 1.00 0.45 C ATOM 601 CG ARG A 33 -12.345 -9.050 -5.552 1.00 1.01 C ATOM 602 CD ARG A 33 -11.285 -10.036 -5.094 1.00 0.94 C ATOM 603 NE ARG A 33 -11.443 -10.396 -3.687 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.607 -11.641 -3.241 1.00 0.84 C ATOM 605 NH1 ARG A 33 -11.677 -12.661 -4.089 1.00 1.32 N ATOM 606 NH2 ARG A 33 -11.701 -11.865 -1.936 1.00 1.22 N ATOM 0 H ARG A 33 -14.875 -8.181 -4.153 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.397 -8.103 -6.923 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -13.988 -10.151 -4.737 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.616 -10.546 -6.403 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.050 -8.614 -6.506 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.417 -8.232 -4.836 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.338 -10.936 -5.707 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.297 -9.603 -5.249 1.00 0.94 H new ATOM 0 HE ARG A 33 -11.427 -9.643 -2.999 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -11.605 -12.495 -5.093 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -11.803 -13.610 -3.736 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -11.648 -11.086 -1.280 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -11.827 -12.816 -1.590 1.00 1.22 H new ATOM 620 N GLU A 34 -16.956 -9.864 -6.001 1.00 0.46 N ATOM 621 CA GLU A 34 -18.082 -10.667 -6.458 1.00 0.51 C ATOM 622 C GLU A 34 -18.867 -9.917 -7.536 1.00 0.50 C ATOM 623 O GLU A 34 -19.028 -10.401 -8.655 1.00 0.54 O ATOM 624 CB GLU A 34 -18.998 -11.018 -5.282 1.00 0.55 C ATOM 625 CG GLU A 34 -20.127 -11.967 -5.641 1.00 0.90 C ATOM 626 CD GLU A 34 -19.623 -13.319 -6.097 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.331 -14.170 -5.235 1.00 1.50 O ATOM 628 OE2 GLU A 34 -19.520 -13.541 -7.321 1.00 2.40 O ATOM 0 H GLU A 34 -17.024 -9.557 -5.031 1.00 0.46 H new ATOM 0 HA GLU A 34 -17.697 -11.592 -6.887 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.399 -11.466 -4.489 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.424 -10.099 -4.879 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -20.777 -12.098 -4.776 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -20.733 -11.523 -6.431 1.00 0.90 H new ATOM 635 N ARG A 35 -19.352 -8.732 -7.189 1.00 0.51 N ATOM 636 CA ARG A 35 -20.125 -7.916 -8.126 1.00 0.55 C ATOM 637 C ARG A 35 -19.229 -7.115 -9.078 1.00 0.49 C ATOM 638 O ARG A 35 -19.518 -7.019 -10.268 1.00 0.54 O ATOM 639 CB ARG A 35 -21.084 -6.980 -7.377 1.00 0.72 C ATOM 640 CG ARG A 35 -20.519 -6.431 -6.080 1.00 0.77 C ATOM 641 CD ARG A 35 -21.225 -7.028 -4.870 1.00 0.79 C ATOM 642 NE ARG A 35 -22.425 -6.279 -4.504 1.00 1.02 N ATOM 643 CZ ARG A 35 -23.063 -6.413 -3.342 1.00 1.46 C ATOM 644 NH1 ARG A 35 -22.753 -7.406 -2.518 1.00 1.79 N ATOM 645 NH2 ARG A 35 -24.040 -5.572 -3.029 1.00 1.90 N ATOM 0 H ARG A 35 -19.226 -8.312 -6.268 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.710 -8.605 -8.735 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.346 -6.147 -8.029 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -22.007 -7.518 -7.161 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.452 -6.649 -6.025 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -20.624 -5.346 -6.066 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -21.496 -8.062 -5.083 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -20.538 -7.046 -4.024 1.00 0.79 H new ATOM 0 HE ARG A 35 -22.797 -5.612 -5.180 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -22.023 -8.071 -2.773 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -23.245 -7.504 -1.630 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -24.299 -4.828 -3.676 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -24.532 -5.670 -2.141 1.00 1.90 H new ATOM 659 N ILE A 36 -18.148 -6.545 -8.558 1.00 0.45 N ATOM 660 CA ILE A 36 -17.275 -5.686 -9.357 1.00 0.43 C ATOM 661 C ILE A 36 -16.007 -6.428 -9.785 1.00 0.45 C ATOM 662 O ILE A 36 -15.131 -6.699 -8.962 1.00 0.44 O ATOM 663 CB ILE A 36 -16.871 -4.415 -8.578 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.108 -3.726 -8.001 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.109 -3.456 -9.482 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.782 -2.519 -7.150 1.00 0.44 C ATOM 0 H ILE A 36 -17.853 -6.660 -7.588 1.00 0.45 H new ATOM 0 HA ILE A 36 -17.842 -5.399 -10.243 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.220 -4.709 -7.755 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.759 -3.419 -8.820 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.668 -4.444 -7.401 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.832 -2.566 -8.917 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.208 -3.945 -9.854 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.740 -3.170 -10.323 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.705 -2.079 -6.773 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.156 -2.824 -6.311 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.249 -1.783 -7.752 1.00 0.44 H new ATOM 678 N PRO A 37 -15.885 -6.759 -11.080 1.00 0.53 N ATOM 679 CA PRO A 37 -14.724 -7.482 -11.598 1.00 0.60 C ATOM 680 C PRO A 37 -13.482 -6.598 -11.747 1.00 0.61 C ATOM 681 O PRO A 37 -12.358 -7.099 -11.754 1.00 0.71 O ATOM 682 CB PRO A 37 -15.199 -7.985 -12.960 1.00 0.73 C ATOM 683 CG PRO A 37 -16.245 -7.016 -13.389 1.00 0.76 C ATOM 684 CD PRO A 37 -16.877 -6.472 -12.133 1.00 0.60 C ATOM 0 HA PRO A 37 -14.410 -8.275 -10.920 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.377 -8.020 -13.675 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.603 -8.995 -12.888 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -15.808 -6.212 -13.981 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -16.990 -7.505 -14.016 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.073 -5.403 -12.216 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -17.831 -6.956 -11.925 1.00 0.60 H new ATOM 692 N GLU A 38 -13.681 -5.285 -11.848 1.00 0.57 N ATOM 693 CA GLU A 38 -12.559 -4.352 -11.991 1.00 0.61 C ATOM 694 C GLU A 38 -11.676 -4.379 -10.750 1.00 0.54 C ATOM 695 O GLU A 38 -10.474 -4.132 -10.821 1.00 0.62 O ATOM 696 CB GLU A 38 -13.047 -2.917 -12.223 1.00 0.75 C ATOM 697 CG GLU A 38 -13.741 -2.689 -13.558 1.00 0.99 C ATOM 698 CD GLU A 38 -15.072 -3.398 -13.661 1.00 1.67 C ATOM 699 OE1 GLU A 38 -15.889 -3.270 -12.730 1.00 2.46 O ATOM 700 OE2 GLU A 38 -15.311 -4.072 -14.684 1.00 2.04 O ATOM 0 H GLU A 38 -14.600 -4.843 -11.834 1.00 0.57 H new ATOM 0 HA GLU A 38 -11.984 -4.674 -12.859 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.734 -2.647 -11.421 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.194 -2.242 -12.152 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -13.893 -1.620 -13.704 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -13.090 -3.031 -14.363 1.00 0.99 H new ATOM 707 N ALA A 39 -12.293 -4.694 -9.620 1.00 0.47 N ATOM 708 CA ALA A 39 -11.607 -4.708 -8.336 1.00 0.47 C ATOM 709 C ALA A 39 -10.437 -5.687 -8.340 1.00 0.49 C ATOM 710 O ALA A 39 -9.355 -5.397 -7.837 1.00 0.55 O ATOM 711 CB ALA A 39 -12.599 -5.070 -7.242 1.00 0.47 C ATOM 0 H ALA A 39 -13.280 -4.946 -9.567 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.200 -3.715 -8.148 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.090 -5.082 -6.278 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.401 -4.332 -7.220 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.018 -6.056 -7.443 1.00 0.47 H new ATOM 717 N LEU A 40 -10.662 -6.837 -8.942 1.00 0.50 N ATOM 718 CA LEU A 40 -9.692 -7.923 -8.939 1.00 0.59 C ATOM 719 C LEU A 40 -8.830 -7.902 -10.199 1.00 0.67 C ATOM 720 O LEU A 40 -8.415 -8.948 -10.695 1.00 0.99 O ATOM 721 CB LEU A 40 -10.448 -9.234 -8.853 1.00 0.65 C ATOM 722 CG LEU A 40 -11.458 -9.423 -9.972 1.00 0.62 C ATOM 723 CD1 LEU A 40 -10.976 -10.479 -10.935 1.00 1.29 C ATOM 724 CD2 LEU A 40 -12.820 -9.749 -9.405 1.00 1.19 C ATOM 0 H LEU A 40 -11.522 -7.049 -9.448 1.00 0.50 H new ATOM 0 HA LEU A 40 -9.026 -7.806 -8.084 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.735 -10.058 -8.874 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.965 -9.285 -7.895 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.556 -8.491 -10.529 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -11.708 -10.606 -11.733 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -10.022 -10.172 -11.364 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -10.849 -11.423 -10.406 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -13.531 -9.881 -10.220 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -12.761 -10.668 -8.822 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -13.152 -8.933 -8.763 1.00 1.19 H new ATOM 736 N ALA A 41 -8.555 -6.708 -10.699 1.00 0.65 N ATOM 737 CA ALA A 41 -7.750 -6.531 -11.912 1.00 0.74 C ATOM 738 C ALA A 41 -6.400 -7.259 -11.836 1.00 0.81 C ATOM 739 O ALA A 41 -5.781 -7.545 -12.861 1.00 1.15 O ATOM 740 CB ALA A 41 -7.533 -5.051 -12.181 1.00 0.92 C ATOM 0 H ALA A 41 -8.878 -5.834 -10.283 1.00 0.65 H new ATOM 0 HA ALA A 41 -8.307 -6.977 -12.736 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.934 -4.929 -13.084 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -8.497 -4.561 -12.316 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -7.012 -4.600 -11.336 1.00 0.92 H new ATOM 746 N GLY A 42 -5.951 -7.548 -10.624 1.00 0.75 N ATOM 747 CA GLY A 42 -4.741 -8.325 -10.432 1.00 0.86 C ATOM 748 C GLY A 42 -4.974 -9.447 -9.439 1.00 0.80 C ATOM 749 O GLY A 42 -6.097 -9.930 -9.320 1.00 0.82 O ATOM 0 H GLY A 42 -6.408 -7.255 -9.760 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.414 -8.739 -11.386 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.940 -7.677 -10.075 1.00 0.86 H new ATOM 753 N PRO A 43 -3.944 -9.880 -8.699 1.00 0.83 N ATOM 754 CA PRO A 43 -4.098 -10.915 -7.676 1.00 0.82 C ATOM 755 C PRO A 43 -4.919 -10.405 -6.495 1.00 0.72 C ATOM 756 O PRO A 43 -4.500 -9.481 -5.797 1.00 0.66 O ATOM 757 CB PRO A 43 -2.664 -11.232 -7.235 1.00 0.94 C ATOM 758 CG PRO A 43 -1.773 -10.549 -8.223 1.00 1.09 C ATOM 759 CD PRO A 43 -2.560 -9.401 -8.786 1.00 0.98 C ATOM 0 HA PRO A 43 -4.625 -11.790 -8.056 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.477 -10.870 -6.224 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.486 -12.307 -7.226 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -0.861 -10.195 -7.743 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.471 -11.237 -9.013 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.411 -8.488 -8.210 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.273 -9.180 -9.814 1.00 0.98 H new ATOM 767 N PRO A 44 -6.103 -10.999 -6.265 1.00 0.76 N ATOM 768 CA PRO A 44 -7.044 -10.559 -5.225 1.00 0.73 C ATOM 769 C PRO A 44 -6.419 -10.453 -3.835 1.00 0.69 C ATOM 770 O PRO A 44 -6.863 -9.656 -3.009 1.00 0.74 O ATOM 771 CB PRO A 44 -8.137 -11.638 -5.232 1.00 0.93 C ATOM 772 CG PRO A 44 -7.587 -12.764 -6.041 1.00 0.99 C ATOM 773 CD PRO A 44 -6.627 -12.148 -7.012 1.00 0.89 C ATOM 0 HA PRO A 44 -7.408 -9.554 -5.438 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.373 -11.963 -4.219 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.061 -11.257 -5.668 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.084 -13.492 -5.404 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -8.383 -13.294 -6.563 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -5.835 -12.842 -7.294 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.124 -11.840 -7.932 1.00 0.89 H new ATOM 781 N ASN A 45 -5.377 -11.238 -3.584 1.00 0.72 N ATOM 782 CA ASN A 45 -4.728 -11.241 -2.274 1.00 0.77 C ATOM 783 C ASN A 45 -3.887 -9.990 -2.080 1.00 0.71 C ATOM 784 O ASN A 45 -3.580 -9.604 -0.952 1.00 0.85 O ATOM 785 CB ASN A 45 -3.850 -12.483 -2.097 1.00 0.87 C ATOM 786 CG ASN A 45 -4.661 -13.760 -2.030 1.00 1.41 C ATOM 787 OD1 ASN A 45 -5.087 -14.187 -0.956 1.00 2.21 O ATOM 788 ND2 ASN A 45 -4.874 -14.380 -3.176 1.00 1.37 N ATOM 0 H ASN A 45 -4.964 -11.877 -4.264 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.516 -11.257 -1.521 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.145 -12.547 -2.926 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -3.262 -12.381 -1.185 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -5.410 -15.248 -3.194 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -4.503 -13.991 -4.043 1.00 1.37 H new ATOM 795 N ASP A 46 -3.527 -9.348 -3.181 1.00 0.61 N ATOM 796 CA ASP A 46 -2.711 -8.144 -3.127 1.00 0.68 C ATOM 797 C ASP A 46 -3.580 -6.901 -3.211 1.00 0.57 C ATOM 798 O ASP A 46 -3.077 -5.807 -3.431 1.00 0.61 O ATOM 799 CB ASP A 46 -1.683 -8.118 -4.264 1.00 0.83 C ATOM 800 CG ASP A 46 -0.578 -9.141 -4.095 1.00 1.22 C ATOM 801 OD1 ASP A 46 -0.159 -9.381 -2.945 1.00 1.90 O ATOM 802 OD2 ASP A 46 -0.137 -9.726 -5.107 1.00 1.38 O ATOM 0 H ASP A 46 -3.787 -9.640 -4.123 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.183 -8.153 -2.174 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.193 -8.297 -5.210 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.242 -7.123 -4.323 1.00 0.83 H new ATOM 807 N PHE A 47 -4.880 -7.064 -3.032 1.00 0.53 N ATOM 808 CA PHE A 47 -5.799 -5.937 -3.107 1.00 0.47 C ATOM 809 C PHE A 47 -6.461 -5.673 -1.764 1.00 0.44 C ATOM 810 O PHE A 47 -6.931 -6.597 -1.097 1.00 0.48 O ATOM 811 CB PHE A 47 -6.861 -6.171 -4.181 1.00 0.49 C ATOM 812 CG PHE A 47 -6.384 -5.866 -5.570 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.398 -4.567 -6.043 1.00 0.78 C ATOM 814 CD2 PHE A 47 -5.922 -6.869 -6.400 1.00 0.79 C ATOM 815 CE1 PHE A 47 -5.960 -4.272 -7.318 1.00 0.80 C ATOM 816 CE2 PHE A 47 -5.482 -6.581 -7.674 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.501 -5.280 -8.135 1.00 0.63 C ATOM 0 H PHE A 47 -5.323 -7.961 -2.834 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.216 -5.057 -3.378 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.188 -7.210 -4.137 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.732 -5.553 -3.960 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.757 -3.772 -5.406 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -5.905 -7.890 -6.047 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -5.977 -3.252 -7.674 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.122 -7.374 -8.312 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.157 -5.054 -9.133 1.00 0.63 H new ATOM 827 N GLY A 48 -6.475 -4.409 -1.367 1.00 0.42 N ATOM 828 CA GLY A 48 -7.102 -4.026 -0.121 1.00 0.41 C ATOM 829 C GLY A 48 -7.880 -2.735 -0.240 1.00 0.35 C ATOM 830 O GLY A 48 -7.983 -2.160 -1.324 1.00 0.34 O ATOM 0 H GLY A 48 -6.060 -3.638 -1.890 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.772 -4.822 0.205 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.338 -3.917 0.649 1.00 0.41 H new ATOM 834 N LEU A 49 -8.412 -2.268 0.880 1.00 0.31 N ATOM 835 CA LEU A 49 -9.239 -1.074 0.893 1.00 0.28 C ATOM 836 C LEU A 49 -8.434 0.145 1.332 1.00 0.29 C ATOM 837 O LEU A 49 -7.948 0.209 2.459 1.00 0.31 O ATOM 838 CB LEU A 49 -10.432 -1.266 1.830 1.00 0.26 C ATOM 839 CG LEU A 49 -11.335 -2.458 1.510 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.465 -2.550 2.521 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.895 -2.344 0.106 1.00 0.25 C ATOM 0 H LEU A 49 -8.284 -2.701 1.795 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.600 -0.905 -0.122 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.058 -1.379 2.848 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.036 -0.359 1.811 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.736 -3.367 1.569 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.100 -3.403 2.281 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.049 -2.677 3.521 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.058 -1.636 2.488 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.535 -3.202 -0.101 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.478 -1.427 0.020 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.075 -2.321 -0.612 1.00 0.25 H new ATOM 853 N PHE A 50 -8.266 1.082 0.424 1.00 0.29 N ATOM 854 CA PHE A 50 -7.623 2.348 0.744 1.00 0.30 C ATOM 855 C PHE A 50 -8.648 3.475 0.776 1.00 0.30 C ATOM 856 O PHE A 50 -9.410 3.667 -0.168 1.00 0.31 O ATOM 857 CB PHE A 50 -6.510 2.652 -0.265 1.00 0.34 C ATOM 858 CG PHE A 50 -5.839 3.988 -0.070 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.950 4.176 0.975 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.098 5.055 -0.922 1.00 0.36 C ATOM 861 CE1 PHE A 50 -4.329 5.395 1.168 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.478 6.277 -0.732 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.613 6.463 0.263 1.00 0.37 C ATOM 0 H PHE A 50 -8.566 0.995 -0.547 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.174 2.269 1.734 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.756 1.868 -0.202 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -6.928 2.613 -1.271 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.739 3.358 1.648 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -6.791 4.929 -1.741 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.641 5.538 1.988 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.699 7.094 -1.402 1.00 0.38 H new ATOM 0 HZ PHE A 50 -4.127 7.420 0.386 1.00 0.37 H new ATOM 873 N LEU A 51 -8.667 4.210 1.869 1.00 0.30 N ATOM 874 CA LEU A 51 -9.538 5.362 1.989 1.00 0.32 C ATOM 875 C LEU A 51 -8.744 6.576 1.534 1.00 0.36 C ATOM 876 O LEU A 51 -7.818 7.007 2.212 1.00 0.38 O ATOM 877 CB LEU A 51 -10.017 5.501 3.444 1.00 0.33 C ATOM 878 CG LEU A 51 -11.278 6.350 3.675 1.00 0.35 C ATOM 879 CD1 LEU A 51 -10.945 7.830 3.768 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.295 6.110 2.572 1.00 0.41 C ATOM 0 H LEU A 51 -8.088 4.030 2.689 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.429 5.259 1.370 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -10.202 4.502 3.839 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.205 5.930 4.031 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.710 6.042 4.627 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -11.860 8.399 3.931 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.260 7.997 4.599 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.476 8.156 2.840 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.180 6.720 2.754 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -11.859 6.381 1.610 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.576 5.057 2.559 1.00 0.41 H new ATOM 892 N SER A 52 -9.106 7.107 0.375 1.00 0.42 N ATOM 893 CA SER A 52 -8.247 8.051 -0.336 1.00 0.53 C ATOM 894 C SER A 52 -8.303 9.448 0.240 1.00 0.61 C ATOM 895 O SER A 52 -7.391 10.249 0.049 1.00 0.93 O ATOM 896 CB SER A 52 -8.626 8.074 -1.816 1.00 0.67 C ATOM 897 OG SER A 52 -8.784 6.758 -2.314 1.00 1.28 O ATOM 0 H SER A 52 -9.988 6.902 -0.095 1.00 0.42 H new ATOM 0 HA SER A 52 -7.220 7.706 -0.217 1.00 0.53 H new ATOM 0 HB2 SER A 52 -9.552 8.632 -1.950 1.00 0.67 H new ATOM 0 HB3 SER A 52 -7.855 8.593 -2.386 1.00 0.67 H new ATOM 0 HG SER A 52 -8.385 6.696 -3.207 1.00 1.28 H new ATOM 903 N ASP A 53 -9.361 9.686 0.970 1.00 0.74 N ATOM 904 CA ASP A 53 -9.693 10.999 1.530 1.00 0.90 C ATOM 905 C ASP A 53 -9.610 12.095 0.461 1.00 1.04 C ATOM 906 O ASP A 53 -10.598 12.396 -0.207 1.00 1.28 O ATOM 907 CB ASP A 53 -8.790 11.329 2.725 1.00 0.89 C ATOM 908 CG ASP A 53 -9.172 12.630 3.400 1.00 1.18 C ATOM 909 OD1 ASP A 53 -8.643 13.686 3.002 1.00 1.24 O ATOM 910 OD2 ASP A 53 -10.002 12.609 4.332 1.00 1.42 O ATOM 0 H ASP A 53 -10.042 8.964 1.206 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.723 10.959 1.885 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.843 10.518 3.451 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.755 11.388 2.388 1.00 0.89 H new ATOM 915 N ASP A 54 -8.418 12.648 0.274 1.00 0.93 N ATOM 916 CA ASP A 54 -8.183 13.695 -0.711 1.00 1.10 C ATOM 917 C ASP A 54 -6.709 13.715 -1.081 1.00 1.02 C ATOM 918 O ASP A 54 -6.346 13.694 -2.255 1.00 1.22 O ATOM 919 CB ASP A 54 -8.599 15.065 -0.166 1.00 1.26 C ATOM 920 CG ASP A 54 -8.307 16.193 -1.141 1.00 1.47 C ATOM 921 OD1 ASP A 54 -9.144 16.443 -2.035 1.00 1.73 O ATOM 922 OD2 ASP A 54 -7.246 16.840 -1.009 1.00 1.45 O ATOM 0 H ASP A 54 -7.587 12.383 0.802 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.785 13.484 -1.595 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -9.665 15.053 0.062 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -8.075 15.254 0.771 1.00 1.26 H new ATOM 927 N ASP A 55 -5.869 13.732 -0.059 1.00 0.87 N ATOM 928 CA ASP A 55 -4.424 13.731 -0.244 1.00 0.94 C ATOM 929 C ASP A 55 -3.845 12.420 0.274 1.00 0.87 C ATOM 930 O ASP A 55 -4.315 11.902 1.285 1.00 0.71 O ATOM 931 CB ASP A 55 -3.792 14.916 0.497 1.00 0.99 C ATOM 932 CG ASP A 55 -2.292 15.002 0.296 1.00 1.39 C ATOM 933 OD1 ASP A 55 -1.852 15.613 -0.702 1.00 1.58 O ATOM 934 OD2 ASP A 55 -1.544 14.455 1.136 1.00 1.79 O ATOM 0 H ASP A 55 -6.165 13.747 0.917 1.00 0.87 H new ATOM 0 HA ASP A 55 -4.200 13.828 -1.306 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -4.254 15.842 0.153 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -4.007 14.829 1.562 1.00 0.99 H new ATOM 939 N PRO A 56 -2.838 11.858 -0.419 1.00 1.06 N ATOM 940 CA PRO A 56 -2.202 10.591 -0.038 1.00 1.08 C ATOM 941 C PRO A 56 -1.787 10.513 1.437 1.00 0.98 C ATOM 942 O PRO A 56 -1.778 9.430 2.009 1.00 0.97 O ATOM 943 CB PRO A 56 -0.962 10.504 -0.941 1.00 1.35 C ATOM 944 CG PRO A 56 -0.880 11.810 -1.659 1.00 1.48 C ATOM 945 CD PRO A 56 -2.266 12.382 -1.664 1.00 1.33 C ATOM 0 HA PRO A 56 -2.905 9.767 -0.162 1.00 1.08 H new ATOM 0 HB2 PRO A 56 -0.062 10.326 -0.352 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -1.050 9.677 -1.645 1.00 1.35 H new ATOM 0 HG2 PRO A 56 -0.184 12.484 -1.159 1.00 1.48 H new ATOM 0 HG3 PRO A 56 -0.514 11.671 -2.676 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -2.254 13.472 -1.676 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -2.834 12.060 -2.537 1.00 1.33 H new ATOM 953 N LYS A 57 -1.448 11.642 2.060 1.00 0.99 N ATOM 954 CA LYS A 57 -1.034 11.618 3.465 1.00 1.02 C ATOM 955 C LYS A 57 -2.255 11.507 4.377 1.00 0.82 C ATOM 956 O LYS A 57 -2.167 10.994 5.495 1.00 0.87 O ATOM 957 CB LYS A 57 -0.232 12.864 3.845 1.00 1.25 C ATOM 958 CG LYS A 57 0.928 13.188 2.914 1.00 1.51 C ATOM 959 CD LYS A 57 2.031 12.147 2.985 1.00 1.62 C ATOM 960 CE LYS A 57 1.995 11.195 1.798 1.00 2.08 C ATOM 961 NZ LYS A 57 2.244 11.898 0.507 1.00 2.93 N ATOM 0 H LYS A 57 -1.451 12.566 1.627 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.393 10.746 3.596 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.908 13.719 3.871 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.157 12.734 4.855 1.00 1.25 H new ATOM 0 HG2 LYS A 57 0.561 13.256 1.890 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.336 14.165 3.172 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.999 12.647 3.020 1.00 1.62 H new ATOM 0 HD3 LYS A 57 1.933 11.578 3.909 1.00 1.62 H new ATOM 0 HE2 LYS A 57 2.744 10.416 1.936 1.00 2.08 H new ATOM 0 HE3 LYS A 57 1.024 10.701 1.760 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 2.980 11.393 -0.027 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 1.366 11.921 -0.051 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 2.559 12.871 0.697 1.00 2.93 H new ATOM 975 N LYS A 58 -3.387 11.996 3.884 1.00 0.69 N ATOM 976 CA LYS A 58 -4.647 11.935 4.618 1.00 0.65 C ATOM 977 C LYS A 58 -5.301 10.581 4.415 1.00 0.56 C ATOM 978 O LYS A 58 -6.092 10.126 5.243 1.00 0.63 O ATOM 979 CB LYS A 58 -5.612 13.032 4.152 1.00 0.73 C ATOM 980 CG LYS A 58 -5.300 14.424 4.684 1.00 0.94 C ATOM 981 CD LYS A 58 -3.999 14.969 4.124 1.00 1.24 C ATOM 982 CE LYS A 58 -3.737 16.385 4.601 1.00 1.55 C ATOM 983 NZ LYS A 58 -3.670 16.472 6.084 1.00 2.16 N ATOM 0 H LYS A 58 -3.458 12.443 2.970 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.426 12.087 5.674 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.604 13.064 3.063 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.623 12.760 4.456 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -6.116 15.101 4.429 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -5.241 14.391 5.772 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -3.174 14.324 4.426 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -4.035 14.952 3.035 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -2.800 16.743 4.175 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -4.526 17.042 4.235 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -3.292 17.401 6.361 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -4.623 16.353 6.482 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -3.047 15.723 6.448 1.00 2.16 H new ATOM 997 N GLY A 59 -4.979 9.960 3.290 1.00 0.54 N ATOM 998 CA GLY A 59 -5.495 8.646 2.993 1.00 0.59 C ATOM 999 C GLY A 59 -4.990 7.609 3.970 1.00 0.54 C ATOM 1000 O GLY A 59 -3.935 7.782 4.570 1.00 0.58 O ATOM 0 H GLY A 59 -4.365 10.349 2.575 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.584 8.669 3.019 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -5.206 8.363 1.981 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.744 6.538 4.139 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.380 5.492 5.082 1.00 0.47 C ATOM 1006 C ILE A 60 -5.665 4.116 4.503 1.00 0.42 C ATOM 1007 O ILE A 60 -6.621 3.939 3.743 1.00 0.41 O ATOM 1008 CB ILE A 60 -6.146 5.636 6.417 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.646 5.798 6.152 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -5.605 6.807 7.228 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -8.492 5.831 7.404 1.00 0.65 C ATOM 0 H ILE A 60 -6.614 6.368 3.635 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.312 5.599 5.272 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.997 4.729 7.003 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.808 6.719 5.592 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.983 4.977 5.520 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -6.159 6.889 8.163 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -4.550 6.643 7.445 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.719 7.728 6.657 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.541 5.948 7.131 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -8.362 4.900 7.956 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -8.184 6.669 8.029 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.840 3.145 4.861 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.088 1.772 4.469 1.00 0.40 C ATOM 1025 C TRP A 61 -5.994 1.116 5.485 1.00 0.40 C ATOM 1026 O TRP A 61 -5.687 1.071 6.675 1.00 0.48 O ATOM 1027 CB TRP A 61 -3.794 0.971 4.341 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.013 1.290 3.108 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -1.887 2.048 3.028 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.300 0.850 1.776 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.460 2.119 1.728 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.308 1.390 0.939 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.299 0.054 1.211 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.285 1.161 -0.433 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.277 -0.174 -0.151 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.275 0.377 -0.959 1.00 0.48 C ATOM 0 H TRP A 61 -3.998 3.284 5.419 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.566 1.785 3.489 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.171 1.161 5.215 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.033 -0.092 4.345 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.400 2.524 3.866 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.642 2.633 1.401 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.075 -0.375 1.828 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.515 1.586 -1.059 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.045 -0.787 -0.600 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.284 0.179 -2.021 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.119 0.628 5.018 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.058 -0.046 5.879 1.00 0.37 C ATOM 1049 C LEU A 62 -7.574 -1.469 6.125 1.00 0.42 C ATOM 1050 O LEU A 62 -7.553 -2.290 5.207 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.449 -0.051 5.238 1.00 0.33 C ATOM 1052 CG LEU A 62 -9.943 1.309 4.730 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.308 1.173 4.083 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.006 2.318 5.858 1.00 0.35 C ATOM 0 H LEU A 62 -7.406 0.686 4.041 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.126 0.478 6.832 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.443 -0.752 4.403 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.165 -0.430 5.967 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.232 1.665 3.985 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.642 2.148 3.729 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.245 0.484 3.241 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.020 0.789 4.813 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.359 3.274 5.472 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.692 1.962 6.627 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.013 2.445 6.288 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.141 -1.742 7.348 1.00 0.48 N ATOM 1067 CA GLU A 63 -6.655 -3.063 7.721 1.00 0.55 C ATOM 1068 C GLU A 63 -7.819 -4.021 7.965 1.00 0.52 C ATOM 1069 O GLU A 63 -8.936 -3.593 8.247 1.00 0.48 O ATOM 1070 CB GLU A 63 -5.785 -2.942 8.977 1.00 0.65 C ATOM 1071 CG GLU A 63 -6.496 -2.266 10.142 1.00 0.68 C ATOM 1072 CD GLU A 63 -5.561 -1.907 11.280 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.066 -2.823 11.965 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -5.322 -0.701 11.503 1.00 1.30 O ATOM 0 H GLU A 63 -7.117 -1.059 8.105 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.058 -3.468 6.904 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -5.464 -3.937 9.285 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -4.885 -2.378 8.734 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -6.988 -1.361 9.784 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -7.278 -2.927 10.516 1.00 0.68 H new ATOM 1081 N ALA A 64 -7.561 -5.314 7.868 1.00 0.58 N ATOM 1082 CA ALA A 64 -8.614 -6.312 8.022 1.00 0.58 C ATOM 1083 C ALA A 64 -9.065 -6.424 9.477 1.00 0.60 C ATOM 1084 O ALA A 64 -10.106 -7.013 9.772 1.00 0.65 O ATOM 1085 CB ALA A 64 -8.141 -7.662 7.506 1.00 0.64 C ATOM 0 H ALA A 64 -6.635 -5.700 7.684 1.00 0.58 H new ATOM 0 HA ALA A 64 -9.472 -5.990 7.432 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -8.937 -8.397 7.627 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -7.882 -7.578 6.450 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -7.264 -7.980 8.070 1.00 0.64 H new ATOM 1091 N GLY A 65 -8.287 -5.840 10.377 1.00 0.64 N ATOM 1092 CA GLY A 65 -8.577 -5.930 11.796 1.00 0.70 C ATOM 1093 C GLY A 65 -9.436 -4.792 12.322 1.00 0.70 C ATOM 1094 O GLY A 65 -9.474 -4.551 13.531 1.00 0.84 O ATOM 0 H GLY A 65 -7.452 -5.300 10.148 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -9.082 -6.875 11.994 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -7.638 -5.949 12.348 1.00 0.70 H new ATOM 1098 N LYS A 66 -10.131 -4.087 11.436 1.00 0.60 N ATOM 1099 CA LYS A 66 -11.064 -3.055 11.867 1.00 0.61 C ATOM 1100 C LYS A 66 -12.257 -3.001 10.922 1.00 0.54 C ATOM 1101 O LYS A 66 -12.199 -3.521 9.805 1.00 0.47 O ATOM 1102 CB LYS A 66 -10.380 -1.676 11.959 1.00 0.66 C ATOM 1103 CG LYS A 66 -10.646 -0.746 10.781 1.00 0.60 C ATOM 1104 CD LYS A 66 -9.912 -1.164 9.524 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.845 -1.201 8.320 1.00 0.61 C ATOM 1106 NZ LYS A 66 -11.596 0.067 8.140 1.00 1.29 N ATOM 0 H LYS A 66 -10.067 -4.210 10.425 1.00 0.60 H new ATOM 0 HA LYS A 66 -11.415 -3.313 12.866 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -10.710 -1.183 12.873 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -9.304 -1.826 12.049 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -11.717 -0.720 10.579 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -10.348 0.267 11.050 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.094 -0.470 9.331 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -9.467 -2.148 9.671 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.264 -1.405 7.421 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -11.551 -2.023 8.437 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -11.781 0.220 7.128 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.499 0.011 8.653 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -11.035 0.859 8.513 1.00 1.29 H new ATOM 1120 N ALA A 67 -13.327 -2.361 11.358 1.00 0.57 N ATOM 1121 CA ALA A 67 -14.524 -2.254 10.551 1.00 0.52 C ATOM 1122 C ALA A 67 -14.497 -0.958 9.750 1.00 0.47 C ATOM 1123 O ALA A 67 -13.606 -0.127 9.936 1.00 0.47 O ATOM 1124 CB ALA A 67 -15.752 -2.348 11.438 1.00 0.59 C ATOM 0 H ALA A 67 -13.389 -1.907 12.269 1.00 0.57 H new ATOM 0 HA ALA A 67 -14.565 -3.079 9.840 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -16.650 -2.267 10.826 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -15.753 -3.306 11.958 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -15.736 -1.539 12.168 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.448 -0.789 8.848 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.430 0.352 7.940 1.00 0.40 C ATOM 1132 C LEU A 68 -15.750 1.656 8.667 1.00 0.43 C ATOM 1133 O LEU A 68 -14.892 2.538 8.771 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.405 0.127 6.785 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.064 -1.053 5.876 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -17.121 -1.219 4.801 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.695 -0.858 5.245 1.00 0.37 C ATOM 0 H LEU A 68 -16.239 -1.421 8.722 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.421 0.441 7.538 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.403 -0.026 7.196 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.445 1.033 6.180 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.042 -1.959 6.482 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.862 -2.064 4.163 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.089 -1.400 5.268 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.173 -0.312 4.199 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.467 -1.707 4.601 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.694 0.057 4.653 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -13.941 -0.784 6.028 1.00 0.37 H new ATOM 1149 N ASP A 69 -16.963 1.749 9.201 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.458 2.978 9.830 1.00 0.52 C ATOM 1151 C ASP A 69 -16.644 3.339 11.072 1.00 0.58 C ATOM 1152 O ASP A 69 -16.710 4.466 11.562 1.00 0.65 O ATOM 1153 CB ASP A 69 -18.943 2.822 10.190 1.00 0.58 C ATOM 1154 CG ASP A 69 -19.538 4.061 10.839 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -19.921 4.998 10.106 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -19.612 4.113 12.081 1.00 1.16 O ATOM 0 H ASP A 69 -17.633 0.980 9.212 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.346 3.792 9.114 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.506 2.588 9.287 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.059 1.975 10.866 1.00 0.58 H new ATOM 1161 N TYR A 70 -15.865 2.377 11.564 1.00 0.59 N ATOM 1162 CA TYR A 70 -14.970 2.602 12.691 1.00 0.65 C ATOM 1163 C TYR A 70 -14.062 3.811 12.435 1.00 0.62 C ATOM 1164 O TYR A 70 -13.693 4.531 13.362 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.153 1.323 12.955 1.00 0.69 C ATOM 1166 CG TYR A 70 -12.793 1.555 13.575 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -12.638 1.690 14.947 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -11.663 1.633 12.776 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -11.390 1.897 15.503 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -10.414 1.839 13.323 1.00 1.05 C ATOM 1171 CZ TYR A 70 -10.282 1.971 14.686 1.00 1.22 C ATOM 1172 OH TYR A 70 -9.035 2.174 15.233 1.00 1.45 O ATOM 0 H TYR A 70 -15.838 1.427 11.194 1.00 0.59 H new ATOM 0 HA TYR A 70 -15.558 2.829 13.581 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -14.729 0.670 13.611 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.021 0.792 12.012 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -13.504 1.633 15.589 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -11.763 1.531 11.705 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -11.283 2.000 16.573 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -9.544 1.896 12.685 1.00 1.05 H new ATOM 0 HH TYR A 70 -8.365 2.200 14.519 1.00 1.45 H new ATOM 1182 N TYR A 71 -13.700 4.025 11.176 1.00 0.57 N ATOM 1183 CA TYR A 71 -12.906 5.190 10.798 1.00 0.58 C ATOM 1184 C TYR A 71 -13.759 6.446 10.639 1.00 0.60 C ATOM 1185 O TYR A 71 -14.659 6.720 11.432 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.140 4.927 9.507 1.00 0.56 C ATOM 1187 CG TYR A 71 -10.888 4.120 9.703 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -9.838 4.625 10.438 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -10.762 2.847 9.160 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -8.692 3.891 10.635 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.613 2.104 9.349 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.575 2.631 10.038 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.433 1.908 10.292 1.00 0.72 O ATOM 0 H TYR A 71 -13.942 3.409 10.400 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.201 5.364 11.611 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -12.793 4.405 8.807 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -11.879 5.881 9.049 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -9.916 5.613 10.866 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.574 2.432 8.582 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -7.891 4.283 11.244 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.543 1.104 8.947 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.477 1.051 9.819 1.00 0.72 H new ATOM 1203 N MET A 72 -13.458 7.199 9.587 1.00 0.60 N ATOM 1204 CA MET A 72 -14.065 8.499 9.349 1.00 0.69 C ATOM 1205 C MET A 72 -15.133 8.406 8.268 1.00 0.63 C ATOM 1206 O MET A 72 -15.720 9.415 7.880 1.00 0.75 O ATOM 1207 CB MET A 72 -12.990 9.483 8.878 1.00 0.83 C ATOM 1208 CG MET A 72 -11.668 9.352 9.616 1.00 1.02 C ATOM 1209 SD MET A 72 -10.312 10.169 8.753 1.00 1.73 S ATOM 1210 CE MET A 72 -8.914 9.591 9.713 1.00 2.38 C ATOM 0 H MET A 72 -12.783 6.922 8.874 1.00 0.60 H new ATOM 0 HA MET A 72 -14.520 8.839 10.279 1.00 0.69 H new ATOM 0 HB2 MET A 72 -12.816 9.333 7.812 1.00 0.83 H new ATOM 0 HB3 MET A 72 -13.364 10.500 9.000 1.00 0.83 H new ATOM 0 HG2 MET A 72 -11.769 9.779 10.614 1.00 1.02 H new ATOM 0 HG3 MET A 72 -11.430 8.296 9.743 1.00 1.02 H new ATOM 0 HE1 MET A 72 -7.994 10.009 9.304 1.00 2.38 H new ATOM 0 HE2 MET A 72 -9.028 9.909 10.749 1.00 2.38 H new ATOM 0 HE3 MET A 72 -8.868 8.503 9.670 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.384 7.199 7.779 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.196 7.038 6.586 1.00 0.54 C ATOM 1222 C LEU A 73 -17.567 6.470 6.885 1.00 0.50 C ATOM 1223 O LEU A 73 -17.783 5.781 7.883 1.00 0.60 O ATOM 1224 CB LEU A 73 -15.462 6.180 5.547 1.00 0.71 C ATOM 1225 CG LEU A 73 -14.963 4.812 6.028 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -16.082 3.785 6.045 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.835 4.332 5.142 1.00 0.88 C ATOM 0 H LEU A 73 -15.041 6.329 8.186 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.356 8.034 6.172 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -16.130 6.022 4.700 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -14.607 6.746 5.178 1.00 0.71 H new ATOM 0 HG LEU A 73 -14.599 4.929 7.049 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -15.692 2.828 6.391 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -16.872 4.119 6.717 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -16.486 3.670 5.039 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.487 3.360 5.491 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -14.191 4.243 4.116 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -13.013 5.047 5.180 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.474 6.798 5.989 1.00 0.48 N ATOM 1240 CA ARG A 74 -19.848 6.349 6.021 1.00 0.52 C ATOM 1241 C ARG A 74 -20.487 6.670 4.673 1.00 0.46 C ATOM 1242 O ARG A 74 -19.783 6.783 3.670 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.625 6.979 7.200 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.191 8.386 7.608 1.00 1.17 C ATOM 1245 CD ARG A 74 -20.497 9.429 6.549 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.276 10.002 5.993 1.00 2.05 N ATOM 1247 CZ ARG A 74 -18.849 11.238 6.239 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -19.537 12.046 7.043 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -17.722 11.661 5.682 1.00 3.29 N ATOM 0 H ARG A 74 -18.268 7.403 5.194 1.00 0.48 H new ATOM 0 HA ARG A 74 -19.882 5.272 6.187 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -21.683 7.007 6.939 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -20.527 6.324 8.066 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -20.692 8.660 8.536 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.120 8.386 7.812 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -21.084 8.976 5.750 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -21.107 10.221 6.983 1.00 1.64 H new ATOM 0 HE ARG A 74 -18.713 9.417 5.376 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -20.400 11.719 7.477 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -19.201 12.992 7.225 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -17.191 11.040 5.071 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -17.387 12.607 5.865 1.00 3.29 H new ATOM 1263 N ASN A 75 -21.799 6.809 4.638 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.505 7.086 3.389 1.00 0.47 C ATOM 1265 C ASN A 75 -22.024 8.380 2.743 1.00 0.48 C ATOM 1266 O ASN A 75 -22.190 9.461 3.303 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.014 7.161 3.633 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.682 5.807 3.511 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.157 5.437 2.445 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.720 5.054 4.594 1.00 0.51 N ATOM 0 H ASN A 75 -22.402 6.736 5.457 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.288 6.265 2.705 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.200 7.567 4.627 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.462 7.851 2.918 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.155 4.132 4.559 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.314 5.394 5.466 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.409 8.259 1.571 1.00 0.45 N ATOM 1278 CA GLY A 76 -21.021 9.435 0.819 1.00 0.51 C ATOM 1279 C GLY A 76 -19.539 9.489 0.491 1.00 0.47 C ATOM 1280 O GLY A 76 -19.140 10.198 -0.438 1.00 0.55 O ATOM 0 H GLY A 76 -21.173 7.370 1.131 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -21.591 9.466 -0.110 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -21.291 10.325 1.388 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.722 8.750 1.233 1.00 0.42 N ATOM 1285 CA ASP A 77 -17.270 8.827 1.066 1.00 0.42 C ATOM 1286 C ASP A 77 -16.794 7.973 -0.102 1.00 0.38 C ATOM 1287 O ASP A 77 -17.485 7.050 -0.543 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.542 8.388 2.340 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.901 9.232 3.541 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -16.392 10.362 3.643 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -17.696 8.775 4.392 1.00 1.00 O ATOM 0 H ASP A 77 -19.034 8.095 1.951 1.00 0.42 H new ATOM 0 HA ASP A 77 -17.033 9.870 0.858 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -16.783 7.346 2.549 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.466 8.440 2.174 1.00 0.44 H new ATOM 1296 N THR A 78 -15.611 8.293 -0.601 1.00 0.36 N ATOM 1297 CA THR A 78 -14.989 7.528 -1.664 1.00 0.35 C ATOM 1298 C THR A 78 -13.953 6.569 -1.086 1.00 0.31 C ATOM 1299 O THR A 78 -13.040 6.986 -0.371 1.00 0.34 O ATOM 1300 CB THR A 78 -14.313 8.463 -2.687 1.00 0.42 C ATOM 1301 OG1 THR A 78 -15.275 9.385 -3.217 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.685 7.671 -3.827 1.00 0.42 C ATOM 0 H THR A 78 -15.058 9.088 -0.280 1.00 0.36 H new ATOM 0 HA THR A 78 -15.767 6.957 -2.171 1.00 0.35 H new ATOM 0 HB THR A 78 -13.523 9.010 -2.172 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.839 9.977 -3.865 1.00 0.50 H new ATOM 0 HG21 THR A 78 -13.216 8.358 -4.532 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.932 6.992 -3.427 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.457 7.096 -4.339 1.00 0.42 H new ATOM 1310 N MET A 79 -14.084 5.293 -1.411 1.00 0.27 N ATOM 1311 CA MET A 79 -13.175 4.281 -0.905 1.00 0.27 C ATOM 1312 C MET A 79 -12.534 3.555 -2.076 1.00 0.28 C ATOM 1313 O MET A 79 -13.218 2.935 -2.890 1.00 0.27 O ATOM 1314 CB MET A 79 -13.905 3.288 0.001 1.00 0.23 C ATOM 1315 CG MET A 79 -12.963 2.426 0.827 1.00 0.27 C ATOM 1316 SD MET A 79 -13.827 1.185 1.809 1.00 0.65 S ATOM 1317 CE MET A 79 -14.376 0.067 0.525 1.00 0.24 C ATOM 0 H MET A 79 -14.815 4.934 -2.026 1.00 0.27 H new ATOM 0 HA MET A 79 -12.403 4.767 -0.308 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.567 3.836 0.671 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.535 2.643 -0.611 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.257 1.929 0.162 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.381 3.066 1.490 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.315 -0.960 0.886 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.408 0.297 0.259 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.740 0.181 -0.353 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.227 3.647 -2.164 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.501 3.109 -3.296 1.00 0.35 C ATOM 1329 C GLU A 80 -10.166 1.643 -3.054 1.00 0.33 C ATOM 1330 O GLU A 80 -9.570 1.295 -2.032 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.217 3.923 -3.491 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.679 3.921 -4.912 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.579 4.942 -5.118 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -7.857 6.155 -4.999 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -6.433 4.540 -5.405 1.00 1.04 O ATOM 0 H GLU A 80 -10.639 4.093 -1.460 1.00 0.32 H new ATOM 0 HA GLU A 80 -11.115 3.175 -4.194 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.406 4.953 -3.189 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.449 3.531 -2.825 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -8.298 2.928 -5.151 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.494 4.125 -5.606 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.540 0.775 -3.984 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.123 -0.610 -3.915 1.00 0.33 C ATOM 1344 C TYR A 81 -8.923 -0.765 -4.814 1.00 0.36 C ATOM 1345 O TYR A 81 -9.044 -0.821 -6.038 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.236 -1.569 -4.343 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.909 -3.033 -4.089 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.090 -3.610 -2.838 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.409 -3.833 -5.108 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -10.785 -4.942 -2.614 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.103 -5.164 -4.890 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.330 -5.715 -3.608 1.00 0.38 C ATOM 1353 OH TYR A 81 -9.986 -7.038 -3.424 1.00 0.42 O ATOM 0 H TYR A 81 -11.126 1.007 -4.786 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.878 -0.863 -2.884 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.151 -1.312 -3.809 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.436 -1.429 -5.405 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.475 -3.010 -2.027 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.256 -3.408 -6.089 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -10.915 -5.362 -1.627 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.698 -5.772 -5.685 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.276 -7.331 -2.535 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.772 -0.808 -4.201 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.535 -0.752 -4.944 1.00 0.39 C ATOM 1365 C ARG A 82 -5.574 -1.798 -4.446 1.00 0.40 C ATOM 1366 O ARG A 82 -5.776 -2.394 -3.381 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.910 0.639 -4.859 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.719 1.138 -3.442 1.00 0.44 C ATOM 1369 CD ARG A 82 -5.086 2.517 -3.425 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.691 2.495 -3.860 1.00 0.65 N ATOM 1371 CZ ARG A 82 -3.078 3.529 -4.430 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.774 4.598 -4.799 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.776 3.471 -4.675 1.00 1.03 N ATOM 0 H ARG A 82 -7.661 -0.882 -3.190 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.757 -0.958 -5.991 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.943 0.624 -5.362 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.541 1.344 -5.401 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.682 1.171 -2.933 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.090 0.440 -2.890 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.655 3.183 -4.073 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -5.143 2.928 -2.417 1.00 0.56 H new ATOM 0 HE ARG A 82 -3.157 1.638 -3.718 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.782 4.628 -4.646 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -3.301 5.389 -5.236 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.247 2.635 -4.427 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -1.304 4.262 -5.112 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.533 -2.024 -5.217 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.529 -2.984 -4.853 1.00 0.45 C ATOM 1389 C LYS A 83 -2.789 -2.487 -3.625 1.00 0.42 C ATOM 1390 O LYS A 83 -2.395 -1.321 -3.556 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.571 -3.218 -6.023 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.655 -4.412 -5.829 1.00 0.60 C ATOM 1393 CD LYS A 83 -0.938 -4.781 -7.113 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.021 -5.971 -6.898 1.00 1.25 C ATOM 1395 NZ LYS A 83 0.621 -6.424 -8.161 1.00 1.74 N ATOM 0 H LYS A 83 -4.364 -1.550 -6.104 1.00 0.43 H new ATOM 0 HA LYS A 83 -3.999 -3.939 -4.616 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.152 -3.361 -6.934 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -1.964 -2.325 -6.169 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -0.922 -4.187 -5.054 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.237 -5.265 -5.479 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.668 -5.015 -7.888 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.358 -3.929 -7.468 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.751 -5.706 -6.175 1.00 1.25 H new ATOM 0 HE3 LYS A 83 -0.592 -6.794 -6.468 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 1.289 -7.194 -7.954 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -0.109 -6.766 -8.818 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 1.133 -5.629 -8.595 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.633 -3.370 -2.649 1.00 0.44 N ATOM 1410 CA LYS A 84 -1.915 -3.060 -1.423 1.00 0.46 C ATOM 1411 C LYS A 84 -0.522 -2.558 -1.748 1.00 0.46 C ATOM 1412 O LYS A 84 0.062 -1.774 -1.000 1.00 0.52 O ATOM 1413 CB LYS A 84 -1.809 -4.305 -0.541 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.082 -4.664 0.208 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.368 -3.674 1.324 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.212 -4.305 2.420 1.00 0.67 C ATOM 1417 NZ LYS A 84 -4.467 -3.371 3.550 1.00 1.32 N ATOM 0 H LYS A 84 -3.001 -4.321 -2.686 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.465 -2.286 -0.888 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.520 -5.151 -1.164 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.008 -4.153 0.183 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -3.921 -4.683 -0.487 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -2.990 -5.667 0.624 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.428 -3.317 1.746 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -3.886 -2.805 0.918 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -5.164 -4.630 2.000 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -3.708 -5.196 2.795 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -4.881 -3.895 4.347 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -3.571 -2.936 3.850 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -5.127 -2.628 3.244 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.002 -3.003 -2.881 1.00 0.44 N ATOM 1432 CA GLN A 85 1.350 -2.682 -3.278 1.00 0.47 C ATOM 1433 C GLN A 85 1.361 -1.515 -4.246 1.00 0.52 C ATOM 1434 O GLN A 85 0.373 -1.248 -4.928 1.00 0.83 O ATOM 1435 CB GLN A 85 2.011 -3.892 -3.935 1.00 0.53 C ATOM 1436 CG GLN A 85 1.309 -5.205 -3.652 1.00 0.50 C ATOM 1437 CD GLN A 85 2.186 -6.406 -3.919 1.00 0.64 C ATOM 1438 OE1 GLN A 85 2.241 -6.915 -5.037 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.863 -6.881 -2.887 1.00 0.72 N ATOM 0 H GLN A 85 -0.505 -3.593 -3.544 1.00 0.44 H new ATOM 0 HA GLN A 85 1.908 -2.406 -2.383 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.045 -3.734 -5.013 1.00 0.53 H new ATOM 0 HB3 GLN A 85 3.043 -3.961 -3.591 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.985 -5.222 -2.612 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.411 -5.272 -4.267 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.789 -6.428 -1.976 1.00 0.72 H new ATOM 0 HE22 GLN A 85 3.460 -7.700 -3.002 1.00 0.72 H new ATOM 1448 N ARG A 86 2.479 -0.817 -4.285 1.00 0.50 N ATOM 1449 CA ARG A 86 2.681 0.274 -5.224 1.00 0.52 C ATOM 1450 C ARG A 86 4.015 0.104 -5.950 1.00 0.50 C ATOM 1451 O ARG A 86 4.946 -0.489 -5.401 1.00 0.53 O ATOM 1452 CB ARG A 86 2.601 1.622 -4.490 1.00 0.67 C ATOM 1453 CG ARG A 86 2.809 1.518 -2.985 1.00 0.85 C ATOM 1454 CD ARG A 86 4.280 1.529 -2.597 1.00 0.98 C ATOM 1455 NE ARG A 86 4.862 2.861 -2.745 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.712 3.839 -1.843 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.065 3.604 -0.712 1.00 1.62 N ATOM 1458 NH2 ARG A 86 5.218 5.041 -2.064 1.00 1.85 N ATOM 0 H ARG A 86 3.273 -0.988 -3.668 1.00 0.50 H new ATOM 0 HA ARG A 86 1.891 0.256 -5.975 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.351 2.296 -4.905 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.627 2.072 -4.682 1.00 0.67 H new ATOM 0 HG2 ARG A 86 2.301 2.348 -2.493 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.347 0.600 -2.620 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.388 1.196 -1.565 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.827 0.820 -3.219 1.00 0.98 H new ATOM 0 HE ARG A 86 5.413 3.056 -3.581 1.00 1.13 H new ATOM 0 HH11 ARG A 86 3.681 2.677 -0.527 1.00 1.62 H new ATOM 0 HH12 ARG A 86 3.951 4.350 -0.025 1.00 1.62 H new ATOM 0 HH21 ARG A 86 5.727 5.229 -2.927 1.00 1.85 H new ATOM 0 HH22 ARG A 86 5.099 5.780 -1.371 1.00 1.85 H new ATOM 1472 N PRO A 87 4.110 0.599 -7.198 1.00 0.52 N ATOM 1473 CA PRO A 87 5.297 0.412 -8.045 1.00 0.52 C ATOM 1474 C PRO A 87 6.532 1.119 -7.496 1.00 0.53 C ATOM 1475 O PRO A 87 6.698 2.334 -7.640 1.00 0.62 O ATOM 1476 CB PRO A 87 4.883 1.012 -9.392 1.00 0.57 C ATOM 1477 CG PRO A 87 3.791 1.969 -9.064 1.00 0.86 C ATOM 1478 CD PRO A 87 3.065 1.380 -7.887 1.00 0.60 C ATOM 0 HA PRO A 87 5.583 -0.638 -8.105 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.720 1.517 -9.874 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.539 0.240 -10.080 1.00 0.57 H new ATOM 0 HG2 PRO A 87 4.194 2.953 -8.822 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.119 2.100 -9.912 1.00 0.86 H new ATOM 0 HD2 PRO A 87 2.651 2.155 -7.242 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.234 0.749 -8.202 1.00 0.60 H new ATOM 1486 N LEU A 88 7.400 0.344 -6.877 1.00 0.50 N ATOM 1487 CA LEU A 88 8.577 0.888 -6.229 1.00 0.53 C ATOM 1488 C LEU A 88 9.815 0.679 -7.083 1.00 0.44 C ATOM 1489 O LEU A 88 10.078 -0.432 -7.545 1.00 0.42 O ATOM 1490 CB LEU A 88 8.756 0.279 -4.840 1.00 0.63 C ATOM 1491 CG LEU A 88 7.867 0.902 -3.763 1.00 0.88 C ATOM 1492 CD1 LEU A 88 7.980 0.138 -2.457 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.247 2.357 -3.555 1.00 1.51 C ATOM 0 H LEU A 88 7.312 -0.670 -6.809 1.00 0.50 H new ATOM 0 HA LEU A 88 8.435 1.962 -6.111 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.547 -0.789 -4.894 1.00 0.63 H new ATOM 0 HB3 LEU A 88 9.799 0.385 -4.541 1.00 0.63 H new ATOM 0 HG LEU A 88 6.831 0.848 -4.098 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.338 0.601 -1.708 1.00 1.19 H new ATOM 0 HD12 LEU A 88 7.670 -0.895 -2.612 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.014 0.158 -2.112 1.00 1.19 H new ATOM 0 HD21 LEU A 88 7.609 2.793 -2.786 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.289 2.420 -3.241 1.00 1.51 H new ATOM 0 HD23 LEU A 88 8.116 2.904 -4.489 1.00 1.51 H new ATOM 1505 N LYS A 89 10.557 1.752 -7.305 1.00 0.44 N ATOM 1506 CA LYS A 89 11.823 1.664 -8.008 1.00 0.42 C ATOM 1507 C LYS A 89 12.941 1.478 -7.001 1.00 0.39 C ATOM 1508 O LYS A 89 13.245 2.379 -6.224 1.00 0.42 O ATOM 1509 CB LYS A 89 12.075 2.911 -8.865 1.00 0.51 C ATOM 1510 CG LYS A 89 11.503 2.817 -10.276 1.00 0.69 C ATOM 1511 CD LYS A 89 9.984 2.739 -10.283 1.00 0.93 C ATOM 1512 CE LYS A 89 9.352 4.048 -9.848 1.00 1.49 C ATOM 1513 NZ LYS A 89 7.868 3.977 -9.852 1.00 2.11 N ATOM 0 H LYS A 89 10.303 2.694 -7.008 1.00 0.44 H new ATOM 0 HA LYS A 89 11.790 0.807 -8.681 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.642 3.777 -8.365 1.00 0.51 H new ATOM 0 HB3 LYS A 89 13.149 3.084 -8.930 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.822 3.685 -10.853 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.911 1.937 -10.773 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.638 2.483 -11.284 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.658 1.939 -9.618 1.00 0.93 H new ATOM 0 HE2 LYS A 89 9.700 4.304 -8.847 1.00 1.49 H new ATOM 0 HE3 LYS A 89 9.679 4.847 -10.513 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 7.475 4.910 -9.615 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 7.537 3.692 -10.796 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 7.552 3.279 -9.149 1.00 2.11 H new ATOM 1527 N ILE A 90 13.542 0.306 -7.024 1.00 0.36 N ATOM 1528 CA ILE A 90 14.534 -0.066 -6.030 1.00 0.33 C ATOM 1529 C ILE A 90 15.840 -0.428 -6.716 1.00 0.35 C ATOM 1530 O ILE A 90 15.837 -1.144 -7.718 1.00 0.36 O ATOM 1531 CB ILE A 90 14.065 -1.268 -5.176 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.701 -0.983 -4.537 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.101 -1.607 -4.106 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.708 0.171 -3.556 1.00 0.36 C ATOM 0 H ILE A 90 13.360 -0.412 -7.725 1.00 0.36 H new ATOM 0 HA ILE A 90 14.676 0.791 -5.371 1.00 0.33 H new ATOM 0 HB ILE A 90 13.958 -2.130 -5.834 1.00 0.32 H new ATOM 0 HG12 ILE A 90 11.979 -0.771 -5.326 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.357 -1.881 -4.023 1.00 0.35 H new ATOM 0 HG21 ILE A 90 14.752 -2.455 -3.517 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.047 -1.862 -4.583 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.245 -0.746 -3.453 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.706 0.308 -3.148 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.403 -0.045 -2.745 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.019 1.082 -4.068 1.00 0.36 H new ATOM 1546 N ARG A 91 16.949 0.073 -6.196 1.00 0.38 N ATOM 1547 CA ARG A 91 18.255 -0.268 -6.722 1.00 0.43 C ATOM 1548 C ARG A 91 18.968 -1.199 -5.750 1.00 0.42 C ATOM 1549 O ARG A 91 19.097 -0.895 -4.562 1.00 0.44 O ATOM 1550 CB ARG A 91 19.089 0.990 -6.937 1.00 0.52 C ATOM 1551 CG ARG A 91 20.363 0.749 -7.726 1.00 0.57 C ATOM 1552 CD ARG A 91 21.180 2.021 -7.852 1.00 0.74 C ATOM 1553 NE ARG A 91 20.440 3.081 -8.533 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.689 4.376 -8.382 1.00 1.09 C ATOM 1555 NH1 ARG A 91 21.679 4.778 -7.589 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.956 5.265 -9.037 1.00 1.12 N ATOM 0 H ARG A 91 16.967 0.719 -5.407 1.00 0.38 H new ATOM 0 HA ARG A 91 18.128 -0.769 -7.682 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.484 1.732 -7.458 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.348 1.414 -5.967 1.00 0.52 H new ATOM 0 HG2 ARG A 91 20.958 -0.021 -7.235 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.114 0.374 -8.719 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.473 2.363 -6.860 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.098 1.810 -8.400 1.00 0.74 H new ATOM 0 HE ARG A 91 19.686 2.809 -9.163 1.00 0.72 H new ATOM 0 HH11 ARG A 91 22.248 4.090 -7.096 1.00 1.82 H new ATOM 0 HH12 ARG A 91 21.868 5.774 -7.475 1.00 1.82 H new ATOM 0 HH21 ARG A 91 19.205 4.953 -9.653 1.00 1.12 H new ATOM 0 HH22 ARG A 91 20.142 6.262 -8.925 1.00 1.12 H new ATOM 1570 N MET A 92 19.405 -2.333 -6.260 1.00 0.42 N ATOM 1571 CA MET A 92 20.101 -3.333 -5.470 1.00 0.44 C ATOM 1572 C MET A 92 21.579 -2.997 -5.334 1.00 0.48 C ATOM 1573 O MET A 92 22.069 -2.064 -5.969 1.00 0.51 O ATOM 1574 CB MET A 92 19.932 -4.698 -6.133 1.00 0.46 C ATOM 1575 CG MET A 92 18.755 -5.508 -5.616 1.00 0.57 C ATOM 1576 SD MET A 92 17.341 -4.511 -5.100 1.00 1.04 S ATOM 1577 CE MET A 92 16.659 -4.024 -6.678 1.00 0.34 C ATOM 0 H MET A 92 19.287 -2.590 -7.240 1.00 0.42 H new ATOM 0 HA MET A 92 19.671 -3.350 -4.468 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.814 -4.554 -7.207 1.00 0.46 H new ATOM 0 HB3 MET A 92 20.846 -5.274 -5.987 1.00 0.46 H new ATOM 0 HG2 MET A 92 18.433 -6.199 -6.395 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.087 -6.112 -4.772 1.00 0.57 H new ATOM 0 HE1 MET A 92 15.575 -3.944 -6.597 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.073 -3.059 -6.971 1.00 0.34 H new ATOM 0 HE3 MET A 92 16.912 -4.771 -7.430 1.00 0.34 H new ATOM 1587 N LEU A 93 22.282 -3.814 -4.554 1.00 0.49 N ATOM 1588 CA LEU A 93 23.653 -3.531 -4.131 1.00 0.55 C ATOM 1589 C LEU A 93 24.597 -3.379 -5.315 1.00 0.61 C ATOM 1590 O LEU A 93 25.529 -2.579 -5.280 1.00 0.69 O ATOM 1591 CB LEU A 93 24.187 -4.647 -3.217 1.00 0.57 C ATOM 1592 CG LEU A 93 23.418 -4.893 -1.912 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.094 -3.580 -1.217 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.155 -5.708 -2.162 1.00 0.79 C ATOM 0 H LEU A 93 21.916 -4.696 -4.195 1.00 0.49 H new ATOM 0 HA LEU A 93 23.618 -2.588 -3.586 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.199 -5.577 -3.786 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.222 -4.415 -2.964 1.00 0.57 H new ATOM 0 HG LEU A 93 24.060 -5.474 -1.250 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.549 -3.781 -0.295 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.020 -3.054 -0.984 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.481 -2.962 -1.873 1.00 0.68 H new ATOM 0 HD21 LEU A 93 21.631 -5.866 -1.219 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.505 -5.170 -2.852 1.00 0.79 H new ATOM 0 HD23 LEU A 93 22.424 -6.672 -2.594 1.00 0.79 H new ATOM 1606 N ASP A 94 24.366 -4.161 -6.359 1.00 0.61 N ATOM 1607 CA ASP A 94 25.230 -4.127 -7.533 1.00 0.69 C ATOM 1608 C ASP A 94 24.823 -2.996 -8.461 1.00 0.66 C ATOM 1609 O ASP A 94 25.449 -2.767 -9.495 1.00 0.70 O ATOM 1610 CB ASP A 94 25.181 -5.459 -8.284 1.00 0.76 C ATOM 1611 CG ASP A 94 25.478 -6.641 -7.387 1.00 1.47 C ATOM 1612 OD1 ASP A 94 26.543 -6.654 -6.735 1.00 2.26 O ATOM 1613 OD2 ASP A 94 24.628 -7.551 -7.301 1.00 1.93 O ATOM 0 H ASP A 94 23.593 -4.824 -6.419 1.00 0.61 H new ATOM 0 HA ASP A 94 26.252 -3.956 -7.193 1.00 0.69 H new ATOM 0 HB2 ASP A 94 24.195 -5.585 -8.731 1.00 0.76 H new ATOM 0 HB3 ASP A 94 25.901 -5.438 -9.102 1.00 0.76 H new ATOM 1618 N GLY A 95 23.758 -2.301 -8.091 1.00 0.61 N ATOM 1619 CA GLY A 95 23.270 -1.204 -8.892 1.00 0.61 C ATOM 1620 C GLY A 95 22.106 -1.642 -9.744 1.00 0.58 C ATOM 1621 O GLY A 95 21.634 -0.901 -10.607 1.00 0.64 O ATOM 0 H GLY A 95 23.221 -2.481 -7.243 1.00 0.61 H new ATOM 0 HA2 GLY A 95 22.964 -0.382 -8.244 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.071 -0.827 -9.528 1.00 0.61 H new ATOM 1625 N THR A 96 21.641 -2.855 -9.486 1.00 0.54 N ATOM 1626 CA THR A 96 20.568 -3.455 -10.257 1.00 0.54 C ATOM 1627 C THR A 96 19.235 -2.849 -9.853 1.00 0.47 C ATOM 1628 O THR A 96 18.824 -2.967 -8.707 1.00 0.47 O ATOM 1629 CB THR A 96 20.524 -4.975 -10.013 1.00 0.62 C ATOM 1630 OG1 THR A 96 21.859 -5.504 -10.005 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.703 -5.680 -11.082 1.00 0.61 C ATOM 0 H THR A 96 21.998 -3.449 -8.737 1.00 0.54 H new ATOM 0 HA THR A 96 20.752 -3.262 -11.314 1.00 0.54 H new ATOM 0 HB THR A 96 20.051 -5.150 -9.047 1.00 0.62 H new ATOM 0 HG1 THR A 96 21.827 -6.471 -9.848 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.690 -6.752 -10.883 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.683 -5.296 -11.069 1.00 0.61 H new ATOM 0 HG23 THR A 96 20.147 -5.498 -12.061 1.00 0.61 H new ATOM 1639 N VAL A 97 18.553 -2.211 -10.781 1.00 0.45 N ATOM 1640 CA VAL A 97 17.318 -1.532 -10.445 1.00 0.41 C ATOM 1641 C VAL A 97 16.121 -2.235 -11.071 1.00 0.38 C ATOM 1642 O VAL A 97 16.154 -2.650 -12.232 1.00 0.41 O ATOM 1643 CB VAL A 97 17.355 -0.031 -10.835 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.690 0.157 -12.303 1.00 1.07 C ATOM 1645 CG2 VAL A 97 16.041 0.659 -10.494 1.00 1.11 C ATOM 0 H VAL A 97 18.827 -2.148 -11.761 1.00 0.45 H new ATOM 0 HA VAL A 97 17.209 -1.577 -9.361 1.00 0.41 H new ATOM 0 HB VAL A 97 18.148 0.434 -10.249 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.707 1.221 -12.539 1.00 1.07 H new ATOM 0 HG12 VAL A 97 18.668 -0.276 -12.511 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.936 -0.338 -12.915 1.00 1.07 H new ATOM 0 HG21 VAL A 97 16.097 1.710 -10.779 1.00 1.11 H new ATOM 0 HG22 VAL A 97 15.226 0.179 -11.036 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.858 0.583 -9.422 1.00 1.11 H new ATOM 1655 N LYS A 98 15.079 -2.378 -10.274 1.00 0.35 N ATOM 1656 CA LYS A 98 13.851 -3.012 -10.724 1.00 0.35 C ATOM 1657 C LYS A 98 12.649 -2.258 -10.186 1.00 0.36 C ATOM 1658 O LYS A 98 12.754 -1.535 -9.192 1.00 0.37 O ATOM 1659 CB LYS A 98 13.779 -4.486 -10.298 1.00 0.38 C ATOM 1660 CG LYS A 98 13.605 -4.703 -8.802 1.00 0.41 C ATOM 1661 CD LYS A 98 13.198 -6.137 -8.480 1.00 0.43 C ATOM 1662 CE LYS A 98 11.791 -6.448 -8.974 1.00 0.43 C ATOM 1663 NZ LYS A 98 11.780 -7.081 -10.320 1.00 0.94 N ATOM 0 H LYS A 98 15.058 -2.062 -9.305 1.00 0.35 H new ATOM 0 HA LYS A 98 13.844 -2.981 -11.814 1.00 0.35 H new ATOM 0 HB2 LYS A 98 12.949 -4.962 -10.820 1.00 0.38 H new ATOM 0 HB3 LYS A 98 14.690 -4.990 -10.622 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.538 -4.466 -8.290 1.00 0.41 H new ATOM 0 HG3 LYS A 98 12.849 -4.017 -8.421 1.00 0.41 H new ATOM 0 HD2 LYS A 98 13.906 -6.828 -8.939 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.249 -6.297 -7.403 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.299 -7.110 -8.262 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.210 -5.526 -9.006 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.136 -6.556 -10.945 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 12.740 -7.064 -10.719 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 11.457 -8.066 -10.238 1.00 0.94 H new ATOM 1677 N THR A 99 11.512 -2.425 -10.836 1.00 0.40 N ATOM 1678 CA THR A 99 10.279 -1.838 -10.366 1.00 0.44 C ATOM 1679 C THR A 99 9.357 -2.944 -9.881 1.00 0.47 C ATOM 1680 O THR A 99 8.800 -3.701 -10.677 1.00 0.58 O ATOM 1681 CB THR A 99 9.576 -1.036 -11.475 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.452 -0.016 -11.973 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.296 -0.406 -10.950 1.00 0.57 C ATOM 0 H THR A 99 11.421 -2.966 -11.696 1.00 0.40 H new ATOM 0 HA THR A 99 10.514 -1.152 -9.552 1.00 0.44 H new ATOM 0 HB THR A 99 9.321 -1.718 -12.286 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.998 0.489 -12.680 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.813 0.157 -11.749 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.623 -1.188 -10.599 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.533 0.266 -10.125 1.00 0.57 H new ATOM 1691 N ILE A 100 9.207 -3.050 -8.577 1.00 0.42 N ATOM 1692 CA ILE A 100 8.454 -4.134 -7.991 1.00 0.44 C ATOM 1693 C ILE A 100 7.328 -3.560 -7.150 1.00 0.45 C ATOM 1694 O ILE A 100 7.457 -2.470 -6.595 1.00 0.45 O ATOM 1695 CB ILE A 100 9.380 -5.057 -7.153 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.672 -6.365 -6.765 1.00 0.61 C ATOM 1697 CG2 ILE A 100 9.904 -4.332 -5.917 1.00 0.48 C ATOM 1698 CD1 ILE A 100 7.971 -6.338 -5.422 1.00 0.50 C ATOM 0 H ILE A 100 9.600 -2.394 -7.902 1.00 0.42 H new ATOM 0 HA ILE A 100 8.022 -4.748 -8.781 1.00 0.44 H new ATOM 0 HB ILE A 100 10.233 -5.318 -7.779 1.00 0.48 H new ATOM 0 HG12 ILE A 100 7.940 -6.607 -7.536 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.406 -7.170 -6.759 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.550 -5.002 -5.349 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.472 -3.454 -6.224 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.065 -4.022 -5.294 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.502 -7.304 -5.237 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.698 -6.131 -4.636 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.209 -5.559 -5.425 1.00 0.50 H new ATOM 1710 N MET A 101 6.215 -4.264 -7.085 1.00 0.47 N ATOM 1711 CA MET A 101 5.082 -3.772 -6.333 1.00 0.50 C ATOM 1712 C MET A 101 5.145 -4.268 -4.908 1.00 0.50 C ATOM 1713 O MET A 101 5.042 -5.461 -4.634 1.00 0.52 O ATOM 1714 CB MET A 101 3.776 -4.215 -6.981 1.00 0.56 C ATOM 1715 CG MET A 101 3.606 -3.701 -8.394 1.00 0.64 C ATOM 1716 SD MET A 101 1.878 -3.497 -8.838 1.00 0.98 S ATOM 1717 CE MET A 101 1.440 -2.200 -7.684 1.00 0.59 C ATOM 0 H MET A 101 6.073 -5.167 -7.538 1.00 0.47 H new ATOM 0 HA MET A 101 5.118 -2.683 -6.331 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.734 -5.304 -6.990 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.941 -3.869 -6.373 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.121 -2.746 -8.496 1.00 0.64 H new ATOM 0 HG3 MET A 101 4.079 -4.394 -9.090 1.00 0.64 H new ATOM 0 HE1 MET A 101 0.650 -1.583 -8.112 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.088 -2.645 -6.753 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.315 -1.581 -7.483 1.00 0.59 H new ATOM 1727 N VAL A 102 5.333 -3.326 -4.007 1.00 0.50 N ATOM 1728 CA VAL A 102 5.439 -3.645 -2.600 1.00 0.53 C ATOM 1729 C VAL A 102 4.351 -2.952 -1.813 1.00 0.49 C ATOM 1730 O VAL A 102 4.021 -1.791 -2.073 1.00 0.50 O ATOM 1731 CB VAL A 102 6.805 -3.271 -2.011 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.169 -4.249 -0.914 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.878 -3.221 -3.087 1.00 0.90 C ATOM 0 H VAL A 102 5.415 -2.333 -4.225 1.00 0.50 H new ATOM 0 HA VAL A 102 5.325 -4.726 -2.521 1.00 0.53 H new ATOM 0 HB VAL A 102 6.740 -2.271 -1.582 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.140 -3.982 -0.496 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.414 -4.213 -0.129 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.216 -5.257 -1.326 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.833 -2.953 -2.636 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.962 -4.198 -3.562 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.608 -2.476 -3.835 1.00 0.90 H new ATOM 1743 N ASP A 103 3.783 -3.688 -0.875 1.00 0.48 N ATOM 1744 CA ASP A 103 2.657 -3.224 -0.083 1.00 0.47 C ATOM 1745 C ASP A 103 3.008 -1.974 0.703 1.00 0.46 C ATOM 1746 O ASP A 103 4.020 -1.921 1.402 1.00 0.51 O ATOM 1747 CB ASP A 103 2.202 -4.316 0.876 1.00 0.51 C ATOM 1748 CG ASP A 103 2.008 -5.651 0.200 1.00 1.22 C ATOM 1749 OD1 ASP A 103 3.010 -6.262 -0.214 1.00 1.96 O ATOM 1750 OD2 ASP A 103 0.841 -6.086 0.073 1.00 1.56 O ATOM 0 H ASP A 103 4.092 -4.631 -0.639 1.00 0.48 H new ATOM 0 HA ASP A 103 1.848 -2.981 -0.772 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.938 -4.422 1.673 1.00 0.51 H new ATOM 0 HB3 ASP A 103 1.266 -4.013 1.345 1.00 0.51 H new ATOM 1755 N ASP A 104 2.153 -0.976 0.578 1.00 0.46 N ATOM 1756 CA ASP A 104 2.295 0.277 1.305 1.00 0.47 C ATOM 1757 C ASP A 104 1.570 0.172 2.643 1.00 0.46 C ATOM 1758 O ASP A 104 1.725 1.004 3.535 1.00 0.54 O ATOM 1759 CB ASP A 104 1.718 1.409 0.450 1.00 0.54 C ATOM 1760 CG ASP A 104 1.748 2.764 1.121 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.802 3.141 1.671 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.720 3.466 1.067 1.00 0.64 O ATOM 0 H ASP A 104 1.336 -1.009 -0.032 1.00 0.46 H new ATOM 0 HA ASP A 104 3.346 0.488 1.505 1.00 0.47 H new ATOM 0 HB2 ASP A 104 2.276 1.465 -0.484 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.687 1.166 0.191 1.00 0.54 H new ATOM 1767 N SER A 105 0.806 -0.900 2.779 1.00 0.43 N ATOM 1768 CA SER A 105 -0.016 -1.126 3.955 1.00 0.49 C ATOM 1769 C SER A 105 0.721 -1.995 4.981 1.00 0.57 C ATOM 1770 O SER A 105 0.099 -2.644 5.822 1.00 0.96 O ATOM 1771 CB SER A 105 -1.330 -1.785 3.510 1.00 0.52 C ATOM 1772 OG SER A 105 -2.225 -2.021 4.588 1.00 1.27 O ATOM 0 H SER A 105 0.739 -1.637 2.077 1.00 0.43 H new ATOM 0 HA SER A 105 -0.232 -0.175 4.442 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.818 -1.148 2.772 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.107 -2.731 3.016 1.00 0.52 H new ATOM 0 HG SER A 105 -1.720 -2.317 5.374 1.00 1.27 H new ATOM 1778 N LYS A 106 2.049 -1.989 4.928 1.00 0.45 N ATOM 1779 CA LYS A 106 2.848 -2.776 5.861 1.00 0.49 C ATOM 1780 C LYS A 106 4.190 -2.111 6.140 1.00 0.52 C ATOM 1781 O LYS A 106 4.549 -1.122 5.501 1.00 0.65 O ATOM 1782 CB LYS A 106 3.038 -4.206 5.341 1.00 0.58 C ATOM 1783 CG LYS A 106 3.492 -4.296 3.892 1.00 0.69 C ATOM 1784 CD LYS A 106 5.000 -4.300 3.745 1.00 0.58 C ATOM 1785 CE LYS A 106 5.404 -4.760 2.351 1.00 1.00 C ATOM 1786 NZ LYS A 106 4.973 -6.162 2.077 1.00 2.02 N ATOM 0 H LYS A 106 2.592 -1.451 4.253 1.00 0.45 H new ATOM 0 HA LYS A 106 2.306 -2.828 6.805 1.00 0.49 H new ATOM 0 HB2 LYS A 106 3.770 -4.713 5.970 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.097 -4.746 5.448 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.086 -5.204 3.445 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.080 -3.455 3.335 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.391 -3.300 3.931 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.441 -4.959 4.493 1.00 0.58 H new ATOM 0 HE2 LYS A 106 4.965 -4.094 1.608 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.486 -4.686 2.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 5.641 -6.608 1.416 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 4.956 -6.700 2.967 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.022 -6.157 1.657 1.00 2.02 H new ATOM 1800 N THR A 107 4.919 -2.665 7.098 1.00 0.53 N ATOM 1801 CA THR A 107 6.178 -2.090 7.541 1.00 0.57 C ATOM 1802 C THR A 107 7.315 -2.356 6.555 1.00 0.52 C ATOM 1803 O THR A 107 7.200 -3.181 5.645 1.00 0.54 O ATOM 1804 CB THR A 107 6.558 -2.617 8.936 1.00 0.69 C ATOM 1805 OG1 THR A 107 6.391 -4.042 8.985 1.00 0.76 O ATOM 1806 CG2 THR A 107 5.701 -1.955 10.003 1.00 0.74 C ATOM 0 H THR A 107 4.655 -3.521 7.587 1.00 0.53 H new ATOM 0 HA THR A 107 6.031 -1.011 7.592 1.00 0.57 H new ATOM 0 HB THR A 107 7.603 -2.375 9.128 1.00 0.69 H new ATOM 0 HG1 THR A 107 6.636 -4.370 9.875 1.00 0.76 H new ATOM 0 HG21 THR A 107 5.981 -2.338 10.984 1.00 0.74 H new ATOM 0 HG22 THR A 107 5.856 -0.876 9.977 1.00 0.74 H new ATOM 0 HG23 THR A 107 4.650 -2.175 9.814 1.00 0.74 H new ATOM 1814 N VAL A 108 8.424 -1.661 6.763 1.00 0.49 N ATOM 1815 CA VAL A 108 9.532 -1.660 5.821 1.00 0.47 C ATOM 1816 C VAL A 108 10.253 -3.010 5.754 1.00 0.42 C ATOM 1817 O VAL A 108 10.599 -3.469 4.669 1.00 0.44 O ATOM 1818 CB VAL A 108 10.535 -0.550 6.177 1.00 0.55 C ATOM 1819 CG1 VAL A 108 11.769 -0.604 5.287 1.00 0.61 C ATOM 1820 CG2 VAL A 108 9.874 0.815 6.090 1.00 0.60 C ATOM 0 H VAL A 108 8.580 -1.083 7.589 1.00 0.49 H new ATOM 0 HA VAL A 108 9.106 -1.471 4.836 1.00 0.47 H new ATOM 0 HB VAL A 108 10.860 -0.716 7.204 1.00 0.55 H new ATOM 0 HG11 VAL A 108 12.455 0.195 5.568 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.264 -1.567 5.410 1.00 0.61 H new ATOM 0 HG13 VAL A 108 11.472 -0.478 4.246 1.00 0.61 H new ATOM 0 HG21 VAL A 108 10.599 1.587 6.345 1.00 0.60 H new ATOM 0 HG22 VAL A 108 9.511 0.979 5.076 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.037 0.859 6.787 1.00 0.60 H new ATOM 1830 N THR A 109 10.521 -3.615 6.907 1.00 0.43 N ATOM 1831 CA THR A 109 11.122 -4.951 6.958 1.00 0.43 C ATOM 1832 C THR A 109 10.415 -5.933 6.021 1.00 0.44 C ATOM 1833 O THR A 109 11.069 -6.649 5.256 1.00 0.45 O ATOM 1834 CB THR A 109 11.112 -5.512 8.391 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.736 -4.571 9.272 1.00 0.56 O ATOM 1836 CG2 THR A 109 11.847 -6.846 8.460 1.00 0.56 C ATOM 0 H THR A 109 10.333 -3.204 7.821 1.00 0.43 H new ATOM 0 HA THR A 109 12.154 -4.840 6.624 1.00 0.43 H new ATOM 0 HB THR A 109 10.078 -5.676 8.694 1.00 0.51 H new ATOM 0 HG1 THR A 109 12.498 -4.154 8.819 1.00 0.56 H new ATOM 0 HG21 THR A 109 11.825 -7.221 9.483 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.360 -7.564 7.800 1.00 0.56 H new ATOM 0 HG23 THR A 109 12.882 -6.708 8.146 1.00 0.56 H new ATOM 1844 N ASP A 110 9.089 -5.948 6.063 1.00 0.47 N ATOM 1845 CA ASP A 110 8.312 -6.829 5.204 1.00 0.51 C ATOM 1846 C ASP A 110 8.503 -6.439 3.742 1.00 0.49 C ATOM 1847 O ASP A 110 8.643 -7.296 2.870 1.00 0.54 O ATOM 1848 CB ASP A 110 6.830 -6.759 5.574 1.00 0.57 C ATOM 1849 CG ASP A 110 6.024 -7.896 4.979 1.00 0.65 C ATOM 1850 OD1 ASP A 110 5.871 -7.945 3.742 1.00 0.70 O ATOM 1851 OD2 ASP A 110 5.528 -8.740 5.753 1.00 0.76 O ATOM 0 H ASP A 110 8.531 -5.361 6.682 1.00 0.47 H new ATOM 0 HA ASP A 110 8.662 -7.852 5.346 1.00 0.51 H new ATOM 0 HB2 ASP A 110 6.730 -6.777 6.659 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.419 -5.809 5.231 1.00 0.57 H new ATOM 1856 N MET A 111 8.529 -5.135 3.485 1.00 0.46 N ATOM 1857 CA MET A 111 8.761 -4.617 2.140 1.00 0.46 C ATOM 1858 C MET A 111 10.111 -5.066 1.598 1.00 0.40 C ATOM 1859 O MET A 111 10.213 -5.495 0.449 1.00 0.43 O ATOM 1860 CB MET A 111 8.671 -3.090 2.142 1.00 0.51 C ATOM 1861 CG MET A 111 9.360 -2.414 0.962 1.00 0.50 C ATOM 1862 SD MET A 111 9.148 -0.634 0.976 1.00 0.75 S ATOM 1863 CE MET A 111 9.098 -0.398 2.736 1.00 0.67 C ATOM 0 H MET A 111 8.392 -4.414 4.194 1.00 0.46 H new ATOM 0 HA MET A 111 7.988 -5.020 1.485 1.00 0.46 H new ATOM 0 HB2 MET A 111 7.620 -2.801 2.147 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.110 -2.714 3.066 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.424 -2.651 0.981 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.961 -2.818 0.032 1.00 0.50 H new ATOM 0 HE1 MET A 111 9.325 0.642 2.970 1.00 0.67 H new ATOM 0 HE2 MET A 111 8.104 -0.645 3.108 1.00 0.67 H new ATOM 0 HE3 MET A 111 9.834 -1.046 3.211 1.00 0.67 H new ATOM 1873 N LEU A 112 11.143 -4.976 2.429 1.00 0.36 N ATOM 1874 CA LEU A 112 12.481 -5.372 2.017 1.00 0.34 C ATOM 1875 C LEU A 112 12.493 -6.851 1.668 1.00 0.37 C ATOM 1876 O LEU A 112 13.125 -7.263 0.699 1.00 0.42 O ATOM 1877 CB LEU A 112 13.500 -5.093 3.120 1.00 0.35 C ATOM 1878 CG LEU A 112 14.910 -4.789 2.618 1.00 0.38 C ATOM 1879 CD1 LEU A 112 14.931 -3.442 1.917 1.00 0.39 C ATOM 1880 CD2 LEU A 112 15.903 -4.807 3.760 1.00 0.46 C ATOM 0 H LEU A 112 11.078 -4.634 3.388 1.00 0.36 H new ATOM 0 HA LEU A 112 12.757 -4.786 1.140 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.150 -4.250 3.715 1.00 0.35 H new ATOM 0 HB3 LEU A 112 13.543 -5.956 3.784 1.00 0.35 H new ATOM 0 HG LEU A 112 15.200 -5.562 1.907 1.00 0.38 H new ATOM 0 HD11 LEU A 112 15.940 -3.232 1.562 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.245 -3.462 1.070 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.623 -2.664 2.615 1.00 0.39 H new ATOM 0 HD21 LEU A 112 16.900 -4.588 3.378 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.623 -4.055 4.497 1.00 0.46 H new ATOM 0 HD23 LEU A 112 15.902 -5.792 4.228 1.00 0.46 H new ATOM 1892 N MET A 113 11.772 -7.638 2.461 1.00 0.39 N ATOM 1893 CA MET A 113 11.615 -9.063 2.199 1.00 0.46 C ATOM 1894 C MET A 113 11.034 -9.269 0.811 1.00 0.49 C ATOM 1895 O MET A 113 11.558 -10.042 0.012 1.00 0.56 O ATOM 1896 CB MET A 113 10.679 -9.692 3.229 1.00 0.55 C ATOM 1897 CG MET A 113 10.605 -11.209 3.138 1.00 0.61 C ATOM 1898 SD MET A 113 9.279 -11.912 4.141 1.00 0.98 S ATOM 1899 CE MET A 113 9.719 -11.313 5.772 1.00 1.34 C ATOM 0 H MET A 113 11.285 -7.309 3.295 1.00 0.39 H new ATOM 0 HA MET A 113 12.594 -9.538 2.265 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.011 -9.412 4.229 1.00 0.55 H new ATOM 0 HB3 MET A 113 9.679 -9.279 3.099 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.458 -11.498 2.097 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.557 -11.633 3.456 1.00 0.61 H new ATOM 0 HE1 MET A 113 9.112 -11.820 6.522 1.00 1.34 H new ATOM 0 HE2 MET A 113 10.773 -11.515 5.962 1.00 1.34 H new ATOM 0 HE3 MET A 113 9.540 -10.239 5.826 1.00 1.34 H new ATOM 1909 N THR A 114 9.956 -8.545 0.540 1.00 0.47 N ATOM 1910 CA THR A 114 9.282 -8.597 -0.744 1.00 0.50 C ATOM 1911 C THR A 114 10.251 -8.315 -1.896 1.00 0.46 C ATOM 1912 O THR A 114 10.300 -9.062 -2.871 1.00 0.49 O ATOM 1913 CB THR A 114 8.139 -7.567 -0.789 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.204 -7.793 0.277 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.412 -7.611 -2.128 1.00 0.60 C ATOM 0 H THR A 114 9.526 -7.905 1.208 1.00 0.47 H new ATOM 0 HA THR A 114 8.881 -9.604 -0.861 1.00 0.50 H new ATOM 0 HB THR A 114 8.584 -6.580 -0.666 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.611 -7.533 1.130 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.610 -6.873 -2.131 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.114 -7.387 -2.931 1.00 0.60 H new ATOM 0 HG23 THR A 114 6.991 -8.605 -2.281 1.00 0.60 H new ATOM 1923 N ILE A 115 11.037 -7.248 -1.769 1.00 0.43 N ATOM 1924 CA ILE A 115 11.912 -6.809 -2.850 1.00 0.41 C ATOM 1925 C ILE A 115 13.105 -7.743 -3.005 1.00 0.42 C ATOM 1926 O ILE A 115 13.424 -8.182 -4.110 1.00 0.43 O ATOM 1927 CB ILE A 115 12.431 -5.379 -2.600 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.264 -4.427 -2.328 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.245 -4.899 -3.793 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.697 -3.061 -1.844 1.00 0.44 C ATOM 0 H ILE A 115 11.085 -6.673 -0.928 1.00 0.43 H new ATOM 0 HA ILE A 115 11.319 -6.824 -3.764 1.00 0.41 H new ATOM 0 HB ILE A 115 13.076 -5.390 -1.722 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.680 -4.311 -3.241 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.606 -4.875 -1.583 1.00 0.42 H new ATOM 0 HG21 ILE A 115 13.606 -3.888 -3.604 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.094 -5.565 -3.946 1.00 0.42 H new ATOM 0 HG23 ILE A 115 12.619 -4.900 -4.685 1.00 0.42 H new ATOM 0 HD11 ILE A 115 10.818 -2.440 -1.672 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.256 -3.165 -0.914 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.330 -2.592 -2.597 1.00 0.44 H new ATOM 1942 N CYS A 116 13.751 -8.053 -1.889 1.00 0.43 N ATOM 1943 CA CYS A 116 14.935 -8.900 -1.892 1.00 0.47 C ATOM 1944 C CYS A 116 14.616 -10.293 -2.430 1.00 0.50 C ATOM 1945 O CYS A 116 15.437 -10.906 -3.118 1.00 0.53 O ATOM 1946 CB CYS A 116 15.511 -8.985 -0.478 1.00 0.51 C ATOM 1947 SG CYS A 116 16.204 -7.428 0.130 1.00 1.56 S ATOM 0 H CYS A 116 13.472 -7.727 -0.964 1.00 0.43 H new ATOM 0 HA CYS A 116 15.678 -8.455 -2.554 1.00 0.47 H new ATOM 0 HB2 CYS A 116 14.726 -9.312 0.204 1.00 0.51 H new ATOM 0 HB3 CYS A 116 16.288 -9.749 -0.459 1.00 0.51 H new ATOM 0 HG CYS A 116 17.171 -7.679 0.961 1.00 1.56 H new ATOM 1953 N ALA A 117 13.409 -10.773 -2.149 1.00 0.50 N ATOM 1954 CA ALA A 117 12.975 -12.078 -2.629 1.00 0.54 C ATOM 1955 C ALA A 117 12.835 -12.079 -4.147 1.00 0.54 C ATOM 1956 O ALA A 117 12.992 -13.112 -4.791 1.00 0.58 O ATOM 1957 CB ALA A 117 11.661 -12.476 -1.976 1.00 0.57 C ATOM 0 H ALA A 117 12.714 -10.277 -1.591 1.00 0.50 H new ATOM 0 HA ALA A 117 13.735 -12.810 -2.356 1.00 0.54 H new ATOM 0 HB1 ALA A 117 11.352 -13.453 -2.346 1.00 0.57 H new ATOM 0 HB2 ALA A 117 11.791 -12.522 -0.895 1.00 0.57 H new ATOM 0 HB3 ALA A 117 10.896 -11.738 -2.218 1.00 0.57 H new ATOM 1963 N ARG A 118 12.553 -10.907 -4.714 1.00 0.50 N ATOM 1964 CA ARG A 118 12.421 -10.773 -6.158 1.00 0.51 C ATOM 1965 C ARG A 118 13.760 -11.017 -6.837 1.00 0.52 C ATOM 1966 O ARG A 118 13.832 -11.681 -7.872 1.00 0.55 O ATOM 1967 CB ARG A 118 11.902 -9.386 -6.538 1.00 0.49 C ATOM 1968 CG ARG A 118 10.575 -9.019 -5.895 1.00 0.49 C ATOM 1969 CD ARG A 118 9.457 -9.965 -6.283 1.00 0.58 C ATOM 1970 NE ARG A 118 9.454 -11.201 -5.498 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.498 -11.520 -4.622 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.464 -10.703 -4.444 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.561 -12.661 -3.943 1.00 1.75 N ATOM 0 H ARG A 118 12.412 -10.041 -4.194 1.00 0.50 H new ATOM 0 HA ARG A 118 11.702 -11.519 -6.496 1.00 0.51 H new ATOM 0 HB2 ARG A 118 12.647 -8.642 -6.257 1.00 0.49 H new ATOM 0 HB3 ARG A 118 11.794 -9.335 -7.621 1.00 0.49 H new ATOM 0 HG2 ARG A 118 10.688 -9.022 -4.811 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.304 -8.004 -6.185 1.00 0.49 H new ATOM 0 HD2 ARG A 118 8.500 -9.459 -6.157 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.549 -10.213 -7.340 1.00 0.58 H new ATOM 0 HE ARG A 118 10.226 -11.855 -5.628 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.402 -9.835 -4.976 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.732 -10.944 -3.775 1.00 1.23 H new ATOM 0 HH21 ARG A 118 9.343 -13.299 -4.090 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.827 -12.898 -3.275 1.00 1.75 H new ATOM 1987 N ILE A 119 14.823 -10.487 -6.241 1.00 0.52 N ATOM 1988 CA ILE A 119 16.161 -10.615 -6.804 1.00 0.54 C ATOM 1989 C ILE A 119 16.695 -12.022 -6.582 1.00 0.58 C ATOM 1990 O ILE A 119 17.469 -12.543 -7.386 1.00 0.66 O ATOM 1991 CB ILE A 119 17.160 -9.624 -6.162 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.445 -8.405 -5.564 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.188 -9.179 -7.193 1.00 0.56 C ATOM 1994 CD1 ILE A 119 15.750 -7.526 -6.580 1.00 0.69 C ATOM 0 H ILE A 119 14.783 -9.964 -5.366 1.00 0.52 H new ATOM 0 HA ILE A 119 16.073 -10.395 -7.868 1.00 0.54 H new ATOM 0 HB ILE A 119 17.666 -10.141 -5.347 1.00 0.51 H new ATOM 0 HG12 ILE A 119 15.710 -8.751 -4.838 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.173 -7.804 -5.019 1.00 0.49 H new ATOM 0 HG21 ILE A 119 18.887 -8.481 -6.732 1.00 0.56 H new ATOM 0 HG22 ILE A 119 18.733 -10.048 -7.562 1.00 0.56 H new ATOM 0 HG23 ILE A 119 17.681 -8.689 -8.024 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.272 -6.689 -6.071 1.00 0.69 H new ATOM 0 HD12 ILE A 119 16.481 -7.146 -7.293 1.00 0.69 H new ATOM 0 HD13 ILE A 119 14.995 -8.108 -7.109 1.00 0.69 H new ATOM 2006 N GLY A 120 16.276 -12.630 -5.484 1.00 0.57 N ATOM 2007 CA GLY A 120 16.783 -13.934 -5.118 1.00 0.62 C ATOM 2008 C GLY A 120 17.636 -13.869 -3.869 1.00 0.64 C ATOM 2009 O GLY A 120 18.246 -14.863 -3.469 1.00 0.70 O ATOM 0 H GLY A 120 15.590 -12.241 -4.837 1.00 0.57 H new ATOM 0 HA2 GLY A 120 15.949 -14.617 -4.955 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.371 -14.340 -5.941 1.00 0.62 H new ATOM 2013 N ILE A 121 17.677 -12.689 -3.257 1.00 0.66 N ATOM 2014 CA ILE A 121 18.430 -12.476 -2.030 1.00 0.71 C ATOM 2015 C ILE A 121 17.771 -13.220 -0.871 1.00 0.82 C ATOM 2016 O ILE A 121 16.642 -12.910 -0.482 1.00 1.54 O ATOM 2017 CB ILE A 121 18.525 -10.972 -1.682 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.259 -10.200 -2.783 1.00 0.59 C ATOM 2019 CG2 ILE A 121 19.217 -10.776 -0.341 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.320 -8.701 -2.543 1.00 0.56 C ATOM 0 H ILE A 121 17.191 -11.859 -3.597 1.00 0.66 H new ATOM 0 HA ILE A 121 19.437 -12.860 -2.190 1.00 0.71 H new ATOM 0 HB ILE A 121 17.512 -10.577 -1.609 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.274 -10.586 -2.870 1.00 0.59 H new ATOM 0 HG13 ILE A 121 18.764 -10.386 -3.736 1.00 0.59 H new ATOM 0 HG21 ILE A 121 19.274 -9.712 -0.113 1.00 0.67 H new ATOM 0 HG22 ILE A 121 18.650 -11.284 0.439 1.00 0.67 H new ATOM 0 HG23 ILE A 121 20.223 -11.192 -0.387 1.00 0.67 H new ATOM 0 HD11 ILE A 121 19.854 -8.223 -3.364 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.308 -8.300 -2.486 1.00 0.56 H new ATOM 0 HD13 ILE A 121 19.842 -8.503 -1.606 1.00 0.56 H new ATOM 2032 N THR A 122 18.474 -14.206 -0.332 1.00 0.96 N ATOM 2033 CA THR A 122 17.930 -15.031 0.733 1.00 1.00 C ATOM 2034 C THR A 122 18.074 -14.343 2.094 1.00 0.90 C ATOM 2035 O THR A 122 17.199 -14.461 2.950 1.00 1.04 O ATOM 2036 CB THR A 122 18.593 -16.435 0.754 1.00 1.18 C ATOM 2037 OG1 THR A 122 17.903 -17.299 1.665 1.00 1.55 O ATOM 2038 CG2 THR A 122 20.064 -16.361 1.143 1.00 1.65 C ATOM 0 H THR A 122 19.422 -14.453 -0.616 1.00 0.96 H new ATOM 0 HA THR A 122 16.867 -15.165 0.532 1.00 1.00 H new ATOM 0 HB THR A 122 18.527 -16.838 -0.257 1.00 1.18 H new ATOM 0 HG1 THR A 122 18.331 -18.181 1.667 1.00 1.55 H new ATOM 0 HG21 THR A 122 20.491 -17.364 1.146 1.00 1.65 H new ATOM 0 HG22 THR A 122 20.600 -15.741 0.424 1.00 1.65 H new ATOM 0 HG23 THR A 122 20.156 -15.925 2.138 1.00 1.65 H new ATOM 2046 N ASN A 123 19.158 -13.599 2.284 1.00 0.91 N ATOM 2047 CA ASN A 123 19.382 -12.909 3.549 1.00 0.87 C ATOM 2048 C ASN A 123 19.162 -11.414 3.377 1.00 0.77 C ATOM 2049 O ASN A 123 20.043 -10.695 2.910 1.00 1.05 O ATOM 2050 CB ASN A 123 20.790 -13.175 4.087 1.00 1.10 C ATOM 2051 CG ASN A 123 20.976 -12.649 5.497 1.00 1.31 C ATOM 2052 OD1 ASN A 123 20.019 -12.534 6.265 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.207 -12.327 5.846 1.00 1.50 N ATOM 0 H ASN A 123 19.889 -13.459 1.586 1.00 0.91 H new ATOM 0 HA ASN A 123 18.666 -13.296 4.274 1.00 0.87 H new ATOM 0 HB2 ASN A 123 20.985 -14.247 4.073 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.522 -12.709 3.428 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.394 -11.968 6.782 1.00 1.50 H new ATOM 0 HD22 ASN A 123 22.971 -12.437 5.180 1.00 1.50 H new ATOM 2060 N HIS A 124 17.980 -10.955 3.754 1.00 0.61 N ATOM 2061 CA HIS A 124 17.623 -9.552 3.590 1.00 0.59 C ATOM 2062 C HIS A 124 17.774 -8.802 4.906 1.00 0.57 C ATOM 2063 O HIS A 124 17.505 -7.603 4.987 1.00 0.66 O ATOM 2064 CB HIS A 124 16.187 -9.403 3.058 1.00 0.63 C ATOM 2065 CG HIS A 124 15.110 -9.844 4.009 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.445 -8.976 4.847 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.567 -11.063 4.236 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.542 -9.640 5.540 1.00 0.57 C ATOM 2069 NE2 HIS A 124 13.594 -10.909 5.191 1.00 0.66 N ATOM 0 H HIS A 124 17.251 -11.531 4.175 1.00 0.61 H new ATOM 0 HA HIS A 124 18.306 -9.119 2.859 1.00 0.59 H new ATOM 0 HB2 HIS A 124 16.018 -8.358 2.800 1.00 0.63 H new ATOM 0 HB3 HIS A 124 16.095 -9.978 2.136 1.00 0.63 H new ATOM 0 HD2 HIS A 124 14.848 -11.988 3.754 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.871 -9.215 6.272 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.008 -11.654 5.568 1.00 0.66 H new ATOM 2078 N ASP A 125 18.213 -9.514 5.935 1.00 0.62 N ATOM 2079 CA ASP A 125 18.352 -8.926 7.258 1.00 0.72 C ATOM 2080 C ASP A 125 19.566 -8.009 7.319 1.00 0.64 C ATOM 2081 O ASP A 125 19.622 -7.093 8.134 1.00 0.66 O ATOM 2082 CB ASP A 125 18.452 -10.019 8.326 1.00 0.97 C ATOM 2083 CG ASP A 125 18.497 -9.453 9.732 1.00 1.54 C ATOM 2084 OD1 ASP A 125 17.507 -8.823 10.152 1.00 2.14 O ATOM 2085 OD2 ASP A 125 19.531 -9.627 10.418 1.00 2.11 O ATOM 0 H ASP A 125 18.478 -10.497 5.878 1.00 0.62 H new ATOM 0 HA ASP A 125 17.463 -8.328 7.458 1.00 0.72 H new ATOM 0 HB2 ASP A 125 17.598 -10.691 8.235 1.00 0.97 H new ATOM 0 HB3 ASP A 125 19.347 -10.615 8.149 1.00 0.97 H new ATOM 2090 N GLU A 126 20.523 -8.227 6.420 1.00 0.62 N ATOM 2091 CA GLU A 126 21.731 -7.406 6.389 1.00 0.62 C ATOM 2092 C GLU A 126 21.444 -6.021 5.826 1.00 0.52 C ATOM 2093 O GLU A 126 22.338 -5.189 5.757 1.00 0.61 O ATOM 2094 CB GLU A 126 22.831 -8.043 5.532 1.00 0.76 C ATOM 2095 CG GLU A 126 23.212 -9.455 5.926 1.00 1.19 C ATOM 2096 CD GLU A 126 24.507 -9.898 5.275 1.00 1.84 C ATOM 2097 OE1 GLU A 126 25.540 -9.228 5.482 1.00 2.27 O ATOM 2098 OE2 GLU A 126 24.504 -10.918 4.555 1.00 2.30 O ATOM 0 H GLU A 126 20.487 -8.958 5.710 1.00 0.62 H new ATOM 0 HA GLU A 126 22.070 -7.329 7.422 1.00 0.62 H new ATOM 0 HB2 GLU A 126 22.504 -8.048 4.492 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.720 -7.415 5.583 1.00 0.76 H new ATOM 0 HG2 GLU A 126 23.313 -9.514 7.010 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.412 -10.139 5.643 1.00 1.19 H new ATOM 2105 N TYR A 127 20.208 -5.768 5.429 1.00 0.43 N ATOM 2106 CA TYR A 127 19.902 -4.559 4.681 1.00 0.38 C ATOM 2107 C TYR A 127 18.961 -3.622 5.420 1.00 0.39 C ATOM 2108 O TYR A 127 18.099 -4.046 6.194 1.00 0.42 O ATOM 2109 CB TYR A 127 19.293 -4.916 3.330 1.00 0.36 C ATOM 2110 CG TYR A 127 20.165 -5.812 2.496 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.399 -5.378 2.042 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.755 -7.091 2.163 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.202 -6.194 1.277 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.548 -7.914 1.397 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.774 -7.470 0.962 1.00 0.43 C ATOM 2116 OH TYR A 127 22.566 -8.285 0.182 1.00 0.49 O ATOM 0 H TYR A 127 19.408 -6.375 5.609 1.00 0.43 H new ATOM 0 HA TYR A 127 20.848 -4.034 4.547 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.332 -5.405 3.492 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.094 -3.998 2.776 1.00 0.36 H new ATOM 0 HD1 TYR A 127 21.737 -4.383 2.292 1.00 0.38 H new ATOM 0 HD2 TYR A 127 18.797 -7.449 2.510 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.160 -5.839 0.925 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.208 -8.906 1.138 1.00 0.43 H new ATOM 0 HH TYR A 127 22.121 -9.149 0.055 1.00 0.49 H new ATOM 2126 N SER A 128 19.146 -2.342 5.164 1.00 0.40 N ATOM 2127 CA SER A 128 18.226 -1.309 5.580 1.00 0.42 C ATOM 2128 C SER A 128 17.631 -0.691 4.323 1.00 0.41 C ATOM 2129 O SER A 128 17.979 -1.108 3.215 1.00 0.54 O ATOM 2130 CB SER A 128 18.966 -0.254 6.406 1.00 0.47 C ATOM 2131 OG SER A 128 20.172 0.132 5.771 1.00 1.13 O ATOM 0 H SER A 128 19.954 -1.988 4.652 1.00 0.40 H new ATOM 0 HA SER A 128 17.434 -1.722 6.204 1.00 0.42 H new ATOM 0 HB2 SER A 128 18.328 0.619 6.544 1.00 0.47 H new ATOM 0 HB3 SER A 128 19.183 -0.650 7.398 1.00 0.47 H new ATOM 0 HG SER A 128 20.264 1.107 5.809 1.00 1.13 H new ATOM 2137 N LEU A 129 16.749 0.286 4.455 1.00 0.42 N ATOM 2138 CA LEU A 129 16.203 0.907 3.257 1.00 0.42 C ATOM 2139 C LEU A 129 16.580 2.377 3.240 1.00 0.43 C ATOM 2140 O LEU A 129 16.720 2.985 4.289 1.00 0.48 O ATOM 2141 CB LEU A 129 14.683 0.708 3.192 1.00 0.43 C ATOM 2142 CG LEU A 129 14.099 0.537 1.780 1.00 0.45 C ATOM 2143 CD1 LEU A 129 12.734 -0.129 1.847 1.00 1.33 C ATOM 2144 CD2 LEU A 129 13.988 1.875 1.065 1.00 1.13 C ATOM 0 H LEU A 129 16.406 0.656 5.341 1.00 0.42 H new ATOM 0 HA LEU A 129 16.626 0.432 2.371 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.423 -0.170 3.783 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.201 1.564 3.665 1.00 0.43 H new ATOM 0 HG LEU A 129 14.779 -0.099 1.213 1.00 0.45 H new ATOM 0 HD11 LEU A 129 12.335 -0.243 0.839 1.00 1.33 H new ATOM 0 HD12 LEU A 129 12.830 -1.110 2.312 1.00 1.33 H new ATOM 0 HD13 LEU A 129 12.057 0.488 2.438 1.00 1.33 H new ATOM 0 HD21 LEU A 129 13.572 1.722 0.069 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.335 2.538 1.633 1.00 1.13 H new ATOM 0 HD23 LEU A 129 14.977 2.325 0.980 1.00 1.13 H new ATOM 2156 N VAL A 130 16.796 2.930 2.062 1.00 0.42 N ATOM 2157 CA VAL A 130 17.122 4.342 1.938 1.00 0.46 C ATOM 2158 C VAL A 130 16.431 4.940 0.712 1.00 0.46 C ATOM 2159 O VAL A 130 16.690 4.548 -0.426 1.00 0.45 O ATOM 2160 CB VAL A 130 18.656 4.551 1.877 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.276 3.693 0.802 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.021 6.006 1.650 1.00 0.60 C ATOM 0 H VAL A 130 16.752 2.426 1.177 1.00 0.42 H new ATOM 0 HA VAL A 130 16.755 4.862 2.822 1.00 0.46 H new ATOM 0 HB VAL A 130 19.055 4.250 2.846 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.353 3.859 0.780 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.075 2.643 1.013 1.00 0.49 H new ATOM 0 HG13 VAL A 130 18.849 3.957 -0.165 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.106 6.108 1.614 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.593 6.346 0.707 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.627 6.612 2.466 1.00 0.60 H new ATOM 2172 N ARG A 131 15.525 5.872 0.947 1.00 0.48 N ATOM 2173 CA ARG A 131 14.766 6.458 -0.140 1.00 0.50 C ATOM 2174 C ARG A 131 15.259 7.855 -0.471 1.00 0.57 C ATOM 2175 O ARG A 131 14.972 8.820 0.250 1.00 0.64 O ATOM 2176 CB ARG A 131 13.285 6.529 0.214 1.00 0.54 C ATOM 2177 CG ARG A 131 12.657 5.182 0.529 1.00 0.51 C ATOM 2178 CD ARG A 131 11.157 5.315 0.726 1.00 0.62 C ATOM 2179 NE ARG A 131 10.528 6.004 -0.402 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.529 5.512 -1.132 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.033 4.306 -0.869 1.00 2.18 N ATOM 2182 NH2 ARG A 131 9.021 6.237 -2.124 1.00 2.01 N ATOM 0 H ARG A 131 15.299 6.236 1.873 1.00 0.48 H new ATOM 0 HA ARG A 131 14.906 5.817 -1.010 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.159 7.186 1.074 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.745 6.984 -0.617 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.861 4.483 -0.282 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.110 4.767 1.429 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.715 4.325 0.842 1.00 0.62 H new ATOM 0 HD3 ARG A 131 10.957 5.863 1.646 1.00 0.62 H new ATOM 0 HE ARG A 131 10.881 6.929 -0.647 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.418 3.752 -0.104 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.268 3.935 -1.432 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.397 7.164 -2.322 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.256 5.866 -2.687 1.00 2.01 H new ATOM 2196 N GLU A 132 15.998 7.957 -1.562 1.00 0.58 N ATOM 2197 CA GLU A 132 16.380 9.247 -2.094 1.00 0.66 C ATOM 2198 C GLU A 132 15.199 9.873 -2.815 1.00 0.73 C ATOM 2199 O GLU A 132 14.761 9.380 -3.861 1.00 0.74 O ATOM 2200 CB GLU A 132 17.563 9.115 -3.055 1.00 0.68 C ATOM 2201 CG GLU A 132 18.837 8.609 -2.408 1.00 0.64 C ATOM 2202 CD GLU A 132 20.007 8.626 -3.368 1.00 0.72 C ATOM 2203 OE1 GLU A 132 19.774 8.570 -4.594 1.00 0.90 O ATOM 2204 OE2 GLU A 132 21.164 8.695 -2.899 1.00 1.05 O ATOM 0 H GLU A 132 16.344 7.159 -2.095 1.00 0.58 H new ATOM 0 HA GLU A 132 16.683 9.886 -1.264 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.286 8.438 -3.863 1.00 0.68 H new ATOM 0 HB3 GLU A 132 17.760 10.087 -3.507 1.00 0.68 H new ATOM 0 HG2 GLU A 132 19.072 9.225 -1.540 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.681 7.593 -2.045 1.00 0.64 H new ATOM 2211 N LEU A 133 14.668 10.941 -2.250 1.00 0.80 N ATOM 2212 CA LEU A 133 13.498 11.578 -2.830 1.00 0.87 C ATOM 2213 C LEU A 133 13.880 12.825 -3.609 1.00 0.97 C ATOM 2214 O LEU A 133 15.054 13.156 -3.761 1.00 1.02 O ATOM 2215 CB LEU A 133 12.471 11.960 -1.761 1.00 0.92 C ATOM 2216 CG LEU A 133 12.169 10.896 -0.706 1.00 0.87 C ATOM 2217 CD1 LEU A 133 10.981 11.325 0.136 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.903 9.540 -1.338 1.00 0.80 C ATOM 0 H LEU A 133 15.022 11.382 -1.401 1.00 0.80 H new ATOM 0 HA LEU A 133 13.052 10.848 -3.506 1.00 0.87 H new ATOM 0 HB2 LEU A 133 12.824 12.857 -1.252 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.538 12.222 -2.260 1.00 0.92 H new ATOM 0 HG LEU A 133 13.048 10.796 -0.069 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.772 10.562 0.886 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.209 12.268 0.632 1.00 0.97 H new ATOM 0 HD13 LEU A 133 10.108 11.453 -0.505 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.692 8.810 -0.557 1.00 0.80 H new ATOM 0 HD22 LEU A 133 11.046 9.613 -2.008 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.780 9.224 -1.903 1.00 0.80 H new ATOM 2230 N MET A 134 12.859 13.509 -4.083 1.00 1.04 N ATOM 2231 CA MET A 134 13.017 14.750 -4.826 1.00 1.15 C ATOM 2232 C MET A 134 12.280 15.866 -4.107 1.00 1.22 C ATOM 2233 O MET A 134 11.968 16.901 -4.687 1.00 1.29 O ATOM 2234 CB MET A 134 12.467 14.579 -6.245 1.00 1.27 C ATOM 2235 CG MET A 134 11.217 13.711 -6.308 1.00 1.36 C ATOM 2236 SD MET A 134 9.805 14.531 -7.079 1.00 1.80 S ATOM 2237 CE MET A 134 9.313 15.674 -5.791 1.00 2.03 C ATOM 0 H MET A 134 11.888 13.220 -3.965 1.00 1.04 H new ATOM 0 HA MET A 134 14.075 15.005 -4.890 1.00 1.15 H new ATOM 0 HB2 MET A 134 12.240 15.561 -6.660 1.00 1.27 H new ATOM 0 HB3 MET A 134 13.239 14.138 -6.875 1.00 1.27 H new ATOM 0 HG2 MET A 134 11.445 12.800 -6.862 1.00 1.36 H new ATOM 0 HG3 MET A 134 10.943 13.409 -5.297 1.00 1.36 H new ATOM 0 HE1 MET A 134 8.231 15.806 -5.816 1.00 2.03 H new ATOM 0 HE2 MET A 134 9.608 15.277 -4.820 1.00 2.03 H new ATOM 0 HE3 MET A 134 9.800 16.636 -5.952 1.00 2.03 H new ATOM 2247 N GLU A 135 12.018 15.637 -2.828 1.00 1.27 N ATOM 2248 CA GLU A 135 11.205 16.532 -2.029 1.00 1.39 C ATOM 2249 C GLU A 135 11.842 17.893 -1.841 1.00 1.41 C ATOM 2250 O GLU A 135 13.041 18.009 -1.593 1.00 1.45 O ATOM 2251 CB GLU A 135 10.954 15.929 -0.657 1.00 1.48 C ATOM 2252 CG GLU A 135 9.911 14.837 -0.637 1.00 1.58 C ATOM 2253 CD GLU A 135 9.437 14.563 0.769 1.00 1.83 C ATOM 2254 OE1 GLU A 135 10.042 15.089 1.722 1.00 2.04 O ATOM 2255 OE2 GLU A 135 8.452 13.810 0.926 1.00 2.29 O ATOM 0 H GLU A 135 12.365 14.824 -2.318 1.00 1.27 H new ATOM 0 HA GLU A 135 10.270 16.664 -2.574 1.00 1.39 H new ATOM 0 HB2 GLU A 135 11.891 15.526 -0.273 1.00 1.48 H new ATOM 0 HB3 GLU A 135 10.645 16.722 0.024 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.064 15.127 -1.259 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.326 13.926 -1.068 1.00 1.58 H new ATOM 2262 N GLU A 136 11.018 18.915 -1.953 1.00 1.46 N ATOM 2263 CA GLU A 136 11.386 20.254 -1.544 1.00 1.52 C ATOM 2264 C GLU A 136 11.221 20.386 -0.029 1.00 1.52 C ATOM 2265 O GLU A 136 11.650 21.365 0.579 1.00 1.59 O ATOM 2266 CB GLU A 136 10.491 21.259 -2.264 1.00 1.67 C ATOM 2267 CG GLU A 136 9.011 21.052 -1.979 1.00 1.73 C ATOM 2268 CD GLU A 136 8.131 22.105 -2.616 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.733 21.932 -3.785 1.00 1.99 O ATOM 2270 OE2 GLU A 136 7.816 23.106 -1.939 1.00 2.12 O ATOM 0 H GLU A 136 10.073 18.840 -2.331 1.00 1.46 H new ATOM 0 HA GLU A 136 12.426 20.452 -1.803 1.00 1.52 H new ATOM 0 HB2 GLU A 136 10.775 22.268 -1.965 1.00 1.67 H new ATOM 0 HB3 GLU A 136 10.662 21.184 -3.338 1.00 1.67 H new ATOM 0 HG2 GLU A 136 8.711 20.069 -2.342 1.00 1.73 H new ATOM 0 HG3 GLU A 136 8.851 21.057 -0.901 1.00 1.73 H new ATOM 2277 N LYS A 137 10.582 19.381 0.567 1.00 1.53 N ATOM 2278 CA LYS A 137 10.292 19.383 1.995 1.00 1.61 C ATOM 2279 C LYS A 137 11.476 18.848 2.792 1.00 1.55 C ATOM 2280 O LYS A 137 12.196 19.613 3.431 1.00 1.63 O ATOM 2281 CB LYS A 137 9.044 18.544 2.274 1.00 1.72 C ATOM 2282 CG LYS A 137 7.851 18.957 1.432 1.00 1.83 C ATOM 2283 CD LYS A 137 6.635 18.089 1.702 1.00 2.14 C ATOM 2284 CE LYS A 137 5.487 18.456 0.776 1.00 2.31 C ATOM 2285 NZ LYS A 137 5.046 19.864 0.963 1.00 2.98 N ATOM 0 H LYS A 137 10.254 18.549 0.076 1.00 1.53 H new ATOM 0 HA LYS A 137 10.110 20.411 2.308 1.00 1.61 H new ATOM 0 HB2 LYS A 137 9.269 17.494 2.085 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.784 18.629 3.329 1.00 1.72 H new ATOM 0 HG2 LYS A 137 7.605 19.999 1.638 1.00 1.83 H new ATOM 0 HG3 LYS A 137 8.114 18.894 0.376 1.00 1.83 H new ATOM 0 HD2 LYS A 137 6.896 17.039 1.566 1.00 2.14 H new ATOM 0 HD3 LYS A 137 6.322 18.208 2.739 1.00 2.14 H new ATOM 0 HE2 LYS A 137 5.795 18.307 -0.259 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.647 17.786 0.958 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 4.152 20.018 0.455 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 4.905 20.052 1.976 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 5.772 20.508 0.589 1.00 2.98 H new ATOM 2299 N LYS A 138 11.674 17.534 2.757 1.00 1.47 N ATOM 2300 CA LYS A 138 12.800 16.923 3.451 1.00 1.45 C ATOM 2301 C LYS A 138 14.054 17.002 2.610 1.00 1.34 C ATOM 2302 O LYS A 138 15.053 17.600 3.010 1.00 1.43 O ATOM 2303 CB LYS A 138 12.526 15.452 3.766 1.00 1.48 C ATOM 2304 CG LYS A 138 11.356 15.236 4.695 1.00 1.52 C ATOM 2305 CD LYS A 138 11.209 13.772 5.085 1.00 1.58 C ATOM 2306 CE LYS A 138 10.530 12.948 3.999 1.00 1.42 C ATOM 2307 NZ LYS A 138 9.178 13.472 3.666 1.00 1.76 N ATOM 0 H LYS A 138 11.074 16.877 2.259 1.00 1.47 H new ATOM 0 HA LYS A 138 12.938 17.475 4.381 1.00 1.45 H new ATOM 0 HB2 LYS A 138 12.341 14.919 2.834 1.00 1.48 H new ATOM 0 HB3 LYS A 138 13.418 15.013 4.212 1.00 1.48 H new ATOM 0 HG2 LYS A 138 11.488 15.840 5.593 1.00 1.52 H new ATOM 0 HG3 LYS A 138 10.440 15.578 4.212 1.00 1.52 H new ATOM 0 HD2 LYS A 138 12.194 13.353 5.293 1.00 1.58 H new ATOM 0 HD3 LYS A 138 10.631 13.700 6.007 1.00 1.58 H new ATOM 0 HE2 LYS A 138 11.150 12.948 3.103 1.00 1.42 H new ATOM 0 HE3 LYS A 138 10.447 11.912 4.328 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 8.697 12.809 3.025 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 8.621 13.576 4.538 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 9.269 14.398 3.202 1.00 1.76 H new ATOM 2321 N ASP A 169 13.970 16.394 1.434 1.00 1.23 N ATOM 2322 CA ASP A 169 15.127 16.168 0.584 1.00 1.18 C ATOM 2323 C ASP A 169 16.205 15.471 1.382 1.00 1.11 C ATOM 2324 O ASP A 169 17.180 16.074 1.834 1.00 1.30 O ATOM 2325 CB ASP A 169 15.654 17.463 -0.038 1.00 1.35 C ATOM 2326 CG ASP A 169 16.828 17.219 -0.965 1.00 1.44 C ATOM 2327 OD1 ASP A 169 16.613 16.714 -2.087 1.00 1.48 O ATOM 2328 OD2 ASP A 169 17.973 17.533 -0.577 1.00 1.59 O ATOM 0 H ASP A 169 13.095 16.044 1.044 1.00 1.23 H new ATOM 0 HA ASP A 169 14.820 15.532 -0.246 1.00 1.18 H new ATOM 0 HB2 ASP A 169 14.852 17.950 -0.592 1.00 1.35 H new ATOM 0 HB3 ASP A 169 15.956 18.148 0.755 1.00 1.35 H new ATOM 2333 N GLU A 170 15.986 14.196 1.585 1.00 0.96 N ATOM 2334 CA GLU A 170 16.831 13.401 2.435 1.00 0.90 C ATOM 2335 C GLU A 170 17.086 12.057 1.783 1.00 0.78 C ATOM 2336 O GLU A 170 16.409 11.692 0.811 1.00 0.77 O ATOM 2337 CB GLU A 170 16.144 13.212 3.791 1.00 0.98 C ATOM 2338 CG GLU A 170 17.000 13.610 4.978 1.00 1.24 C ATOM 2339 CD GLU A 170 18.191 12.698 5.159 1.00 1.90 C ATOM 2340 OE1 GLU A 170 19.241 12.969 4.552 1.00 2.27 O ATOM 2341 OE2 GLU A 170 18.088 11.718 5.926 1.00 2.57 O ATOM 0 H GLU A 170 15.214 13.680 1.163 1.00 0.96 H new ATOM 0 HA GLU A 170 17.786 13.905 2.585 1.00 0.90 H new ATOM 0 HB2 GLU A 170 15.225 13.798 3.806 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.856 12.166 3.898 1.00 0.98 H new ATOM 0 HG2 GLU A 170 17.347 14.635 4.845 1.00 1.24 H new ATOM 0 HG3 GLU A 170 16.392 13.594 5.883 1.00 1.24 H new ATOM 2348 N LEU A 171 18.063 11.334 2.306 1.00 0.73 N ATOM 2349 CA LEU A 171 18.325 9.978 1.861 1.00 0.67 C ATOM 2350 C LEU A 171 17.247 9.071 2.399 1.00 0.62 C ATOM 2351 O LEU A 171 16.982 8.019 1.847 1.00 0.57 O ATOM 2352 CB LEU A 171 19.686 9.494 2.353 1.00 0.71 C ATOM 2353 CG LEU A 171 20.845 10.425 2.039 1.00 0.77 C ATOM 2354 CD1 LEU A 171 22.165 9.793 2.448 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.850 10.779 0.562 1.00 0.74 C ATOM 0 H LEU A 171 18.688 11.666 3.041 1.00 0.73 H new ATOM 0 HA LEU A 171 18.329 9.960 0.771 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.636 9.350 3.432 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.891 8.519 1.910 1.00 0.71 H new ATOM 0 HG LEU A 171 20.719 11.343 2.612 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.983 10.475 2.215 1.00 0.86 H new ATOM 0 HD12 LEU A 171 22.155 9.591 3.519 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.305 8.859 1.904 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.685 11.447 0.351 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.954 9.870 -0.030 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.915 11.275 0.304 1.00 0.74 H new ATOM 2367 N ASN A 172 16.637 9.512 3.488 1.00 0.65 N ATOM 2368 CA ASN A 172 15.574 8.774 4.150 1.00 0.63 C ATOM 2369 C ASN A 172 15.947 7.317 4.356 1.00 0.57 C ATOM 2370 O ASN A 172 15.493 6.438 3.618 1.00 0.53 O ATOM 2371 CB ASN A 172 14.279 8.876 3.351 1.00 0.65 C ATOM 2372 CG ASN A 172 13.643 10.243 3.450 1.00 0.75 C ATOM 2373 OD1 ASN A 172 13.703 10.905 4.486 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.050 10.685 2.361 1.00 0.80 N ATOM 0 H ASN A 172 16.867 10.397 3.940 1.00 0.65 H new ATOM 0 HA ASN A 172 15.425 9.222 5.132 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.483 8.649 2.305 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.575 8.125 3.709 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.618 11.609 2.355 1.00 0.80 H new ATOM 0 HD22 ASN A 172 13.023 10.104 1.523 1.00 0.80 H new ATOM 2381 N TRP A 173 16.759 7.056 5.366 1.00 0.58 N ATOM 2382 CA TRP A 173 17.128 5.696 5.695 1.00 0.55 C ATOM 2383 C TRP A 173 16.006 5.093 6.527 1.00 0.54 C ATOM 2384 O TRP A 173 15.861 5.406 7.712 1.00 0.61 O ATOM 2385 CB TRP A 173 18.446 5.660 6.478 1.00 0.60 C ATOM 2386 CG TRP A 173 19.671 5.894 5.643 1.00 0.63 C ATOM 2387 CD1 TRP A 173 20.050 7.059 5.040 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.691 4.937 5.338 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.235 6.884 4.377 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.652 5.590 4.544 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.887 3.590 5.659 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.788 4.944 4.066 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 22.016 2.950 5.185 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.955 3.628 4.397 1.00 0.79 C ATOM 0 H TRP A 173 17.173 7.767 5.969 1.00 0.58 H new ATOM 0 HA TRP A 173 17.275 5.123 4.780 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.408 6.414 7.264 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.536 4.691 6.969 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.495 7.985 5.080 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.728 7.601 3.845 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.169 3.060 6.267 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.512 5.463 3.455 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.177 1.910 5.426 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.829 3.100 4.044 1.00 0.79 H new ATOM 2405 N LEU A 174 15.194 4.259 5.898 1.00 0.49 N ATOM 2406 CA LEU A 174 14.016 3.716 6.540 1.00 0.49 C ATOM 2407 C LEU A 174 14.383 2.833 7.715 1.00 0.53 C ATOM 2408 O LEU A 174 15.173 1.881 7.583 1.00 0.56 O ATOM 2409 CB LEU A 174 13.157 2.924 5.556 1.00 0.48 C ATOM 2410 CG LEU A 174 12.537 3.729 4.413 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.475 2.900 3.718 1.00 0.52 C ATOM 2412 CD2 LEU A 174 11.943 5.034 4.923 1.00 0.54 C ATOM 0 H LEU A 174 15.334 3.944 4.938 1.00 0.49 H new ATOM 0 HA LEU A 174 13.438 4.565 6.905 1.00 0.49 H new ATOM 0 HB2 LEU A 174 13.769 2.131 5.126 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.354 2.441 6.112 1.00 0.48 H new ATOM 0 HG LEU A 174 13.322 3.976 3.698 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.037 3.478 2.905 1.00 0.52 H new ATOM 0 HD12 LEU A 174 11.927 1.993 3.316 1.00 0.52 H new ATOM 0 HD13 LEU A 174 10.697 2.632 4.433 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.509 5.586 4.090 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.168 4.818 5.658 1.00 0.54 H new ATOM 0 HD23 LEU A 174 12.726 5.633 5.387 1.00 0.54 H new ATOM 2424 N ASP A 175 13.740 3.152 8.837 1.00 0.61 N ATOM 2425 CA ASP A 175 13.935 2.497 10.131 1.00 0.72 C ATOM 2426 C ASP A 175 13.348 1.093 10.152 1.00 0.68 C ATOM 2427 O ASP A 175 13.311 0.442 11.197 1.00 0.75 O ATOM 2428 CB ASP A 175 13.253 3.341 11.206 1.00 0.93 C ATOM 2429 CG ASP A 175 11.840 3.724 10.799 1.00 1.83 C ATOM 2430 OD1 ASP A 175 11.657 4.795 10.181 1.00 2.56 O ATOM 2431 OD2 ASP A 175 10.904 2.966 11.136 1.00 2.37 O ATOM 0 H ASP A 175 13.046 3.898 8.872 1.00 0.61 H new ATOM 0 HA ASP A 175 15.006 2.411 10.316 1.00 0.72 H new ATOM 0 HB2 ASP A 175 13.225 2.785 12.143 1.00 0.93 H new ATOM 0 HB3 ASP A 175 13.838 4.243 11.388 1.00 0.93 H new ATOM 2436 N HIS A 176 12.871 0.652 8.994 1.00 0.66 N ATOM 2437 CA HIS A 176 12.313 -0.683 8.821 1.00 0.71 C ATOM 2438 C HIS A 176 10.921 -0.825 9.424 1.00 0.83 C ATOM 2439 O HIS A 176 10.371 -1.923 9.454 1.00 1.10 O ATOM 2440 CB HIS A 176 13.240 -1.761 9.378 1.00 0.71 C ATOM 2441 CG HIS A 176 14.150 -2.308 8.338 1.00 0.69 C ATOM 2442 ND1 HIS A 176 13.720 -3.172 7.366 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.451 -2.073 8.086 1.00 0.67 C ATOM 2444 CE1 HIS A 176 14.713 -3.445 6.554 1.00 0.76 C ATOM 2445 NE2 HIS A 176 15.787 -2.798 6.966 1.00 0.69 N ATOM 0 H HIS A 176 12.861 1.215 8.143 1.00 0.66 H new ATOM 0 HA HIS A 176 12.219 -0.826 7.745 1.00 0.71 H new ATOM 0 HB2 HIS A 176 13.831 -1.344 10.193 1.00 0.71 H new ATOM 0 HB3 HIS A 176 12.643 -2.570 9.798 1.00 0.71 H new ATOM 0 HD2 HIS A 176 16.109 -1.434 8.657 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.661 -4.092 5.691 1.00 0.76 H new ATOM 0 HE2 HIS A 176 16.708 -2.830 6.529 1.00 0.69 H new ATOM 2454 N GLY A 177 10.324 0.283 9.836 1.00 0.82 N ATOM 2455 CA GLY A 177 9.048 0.206 10.521 1.00 0.96 C ATOM 2456 C GLY A 177 8.001 1.126 9.932 1.00 1.00 C ATOM 2457 O GLY A 177 7.049 0.664 9.306 1.00 1.34 O ATOM 0 H GLY A 177 10.694 1.225 9.711 1.00 0.82 H new ATOM 0 HA2 GLY A 177 8.684 -0.821 10.483 1.00 0.96 H new ATOM 0 HA3 GLY A 177 9.191 0.455 11.573 1.00 0.96 H new ATOM 2461 N ARG A 178 8.198 2.425 10.118 1.00 0.90 N ATOM 2462 CA ARG A 178 7.218 3.437 9.720 1.00 0.99 C ATOM 2463 C ARG A 178 6.731 3.251 8.281 1.00 0.87 C ATOM 2464 O ARG A 178 7.532 3.124 7.350 1.00 0.86 O ATOM 2465 CB ARG A 178 7.814 4.835 9.905 1.00 1.22 C ATOM 2466 CG ARG A 178 7.044 5.931 9.188 1.00 1.27 C ATOM 2467 CD ARG A 178 7.531 7.312 9.592 1.00 1.18 C ATOM 2468 NE ARG A 178 8.980 7.445 9.461 1.00 1.23 N ATOM 2469 CZ ARG A 178 9.679 8.471 9.942 1.00 1.74 C ATOM 2470 NH1 ARG A 178 9.068 9.460 10.584 1.00 2.16 N ATOM 2471 NH2 ARG A 178 10.995 8.505 9.790 1.00 2.18 N ATOM 0 H ARG A 178 9.039 2.810 10.548 1.00 0.90 H new ATOM 0 HA ARG A 178 6.347 3.319 10.364 1.00 0.99 H new ATOM 0 HB2 ARG A 178 7.850 5.066 10.970 1.00 1.22 H new ATOM 0 HB3 ARG A 178 8.843 4.832 9.545 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.152 5.807 8.110 1.00 1.27 H new ATOM 0 HG3 ARG A 178 5.982 5.838 9.415 1.00 1.27 H new ATOM 0 HD2 ARG A 178 7.041 8.064 8.973 1.00 1.18 H new ATOM 0 HD3 ARG A 178 7.241 7.510 10.624 1.00 1.18 H new ATOM 0 HE ARG A 178 9.487 6.707 8.972 1.00 1.23 H new ATOM 0 HH11 ARG A 178 8.056 9.437 10.712 1.00 2.16 H new ATOM 0 HH12 ARG A 178 9.610 10.243 10.950 1.00 2.16 H new ATOM 0 HH21 ARG A 178 11.472 7.745 9.305 1.00 2.18 H new ATOM 0 HH22 ARG A 178 11.531 9.291 10.158 1.00 2.18 H new ATOM 2485 N THR A 179 5.407 3.239 8.119 1.00 0.91 N ATOM 2486 CA THR A 179 4.777 3.070 6.815 1.00 0.89 C ATOM 2487 C THR A 179 5.165 4.199 5.858 1.00 0.86 C ATOM 2488 O THR A 179 5.628 5.259 6.279 1.00 0.91 O ATOM 2489 CB THR A 179 3.237 2.995 6.938 1.00 1.05 C ATOM 2490 OG1 THR A 179 2.631 2.895 5.641 1.00 1.20 O ATOM 2491 CG2 THR A 179 2.681 4.210 7.667 1.00 1.11 C ATOM 0 H THR A 179 4.745 3.346 8.888 1.00 0.91 H new ATOM 0 HA THR A 179 5.140 2.127 6.407 1.00 0.89 H new ATOM 0 HB THR A 179 2.998 2.103 7.517 1.00 1.05 H new ATOM 0 HG1 THR A 179 2.512 1.951 5.407 1.00 1.20 H new ATOM 0 HG21 THR A 179 1.596 4.127 7.737 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.107 4.259 8.669 1.00 1.11 H new ATOM 0 HG23 THR A 179 2.941 5.115 7.117 1.00 1.11 H new ATOM 2499 N LEU A 180 4.940 3.972 4.575 1.00 0.84 N ATOM 2500 CA LEU A 180 5.446 4.846 3.529 1.00 0.84 C ATOM 2501 C LEU A 180 4.453 5.955 3.203 1.00 0.93 C ATOM 2502 O LEU A 180 4.833 7.116 3.037 1.00 0.97 O ATOM 2503 CB LEU A 180 5.729 4.007 2.289 1.00 0.85 C ATOM 2504 CG LEU A 180 6.426 2.681 2.584 1.00 0.83 C ATOM 2505 CD1 LEU A 180 6.502 1.828 1.333 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.811 2.924 3.163 1.00 0.90 C ATOM 0 H LEU A 180 4.402 3.178 4.229 1.00 0.84 H new ATOM 0 HA LEU A 180 6.362 5.323 3.876 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.788 3.805 1.776 1.00 0.85 H new ATOM 0 HB3 LEU A 180 6.348 4.587 1.604 1.00 0.85 H new ATOM 0 HG LEU A 180 5.839 2.139 3.326 1.00 0.83 H new ATOM 0 HD11 LEU A 180 7.002 0.887 1.564 1.00 1.08 H new ATOM 0 HD12 LEU A 180 5.495 1.624 0.970 1.00 1.08 H new ATOM 0 HD13 LEU A 180 7.064 2.359 0.564 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.293 1.968 3.367 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.411 3.487 2.448 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.724 3.491 4.090 1.00 0.90 H new ATOM 2518 N ARG A 181 3.182 5.585 3.121 1.00 1.02 N ATOM 2519 CA ARG A 181 2.092 6.524 2.856 1.00 1.13 C ATOM 2520 C ARG A 181 2.106 7.685 3.858 1.00 1.18 C ATOM 2521 O ARG A 181 1.645 8.785 3.566 1.00 1.36 O ATOM 2522 CB ARG A 181 0.766 5.755 2.917 1.00 1.22 C ATOM 2523 CG ARG A 181 -0.475 6.565 2.582 1.00 1.15 C ATOM 2524 CD ARG A 181 -1.103 7.155 3.830 1.00 0.69 C ATOM 2525 NE ARG A 181 -1.448 6.126 4.812 1.00 1.10 N ATOM 2526 CZ ARG A 181 -1.634 6.379 6.108 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -1.586 7.629 6.553 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -1.896 5.391 6.951 1.00 2.64 N ATOM 0 H ARG A 181 2.873 4.620 3.237 1.00 1.02 H new ATOM 0 HA ARG A 181 2.217 6.962 1.865 1.00 1.13 H new ATOM 0 HB2 ARG A 181 0.824 4.910 2.230 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.650 5.343 3.920 1.00 1.22 H new ATOM 0 HG2 ARG A 181 -0.213 7.366 1.891 1.00 1.15 H new ATOM 0 HG3 ARG A 181 -1.200 5.930 2.073 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -0.413 7.868 4.280 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -2.001 7.710 3.556 1.00 0.69 H new ATOM 0 HE ARG A 181 -1.552 5.164 4.488 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -1.407 8.395 5.904 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -1.728 7.823 7.544 1.00 2.54 H new ATOM 0 HH21 ARG A 181 -1.956 4.432 6.610 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -2.037 5.590 7.941 1.00 2.64 H new ATOM 2542 N GLU A 182 2.660 7.425 5.028 1.00 1.11 N ATOM 2543 CA GLU A 182 2.735 8.411 6.097 1.00 1.18 C ATOM 2544 C GLU A 182 3.966 9.313 5.932 1.00 1.16 C ATOM 2545 O GLU A 182 3.951 10.478 6.330 1.00 1.25 O ATOM 2546 CB GLU A 182 2.790 7.660 7.431 1.00 1.25 C ATOM 2547 CG GLU A 182 2.879 8.532 8.668 1.00 1.34 C ATOM 2548 CD GLU A 182 1.600 9.297 8.950 1.00 1.89 C ATOM 2549 OE1 GLU A 182 1.392 10.368 8.341 1.00 2.31 O ATOM 2550 OE2 GLU A 182 0.802 8.838 9.799 1.00 2.30 O ATOM 0 H GLU A 182 3.072 6.523 5.267 1.00 1.11 H new ATOM 0 HA GLU A 182 1.858 9.058 6.064 1.00 1.18 H new ATOM 0 HB2 GLU A 182 1.901 7.034 7.512 1.00 1.25 H new ATOM 0 HB3 GLU A 182 3.651 6.991 7.416 1.00 1.25 H new ATOM 0 HG2 GLU A 182 3.119 7.908 9.529 1.00 1.34 H new ATOM 0 HG3 GLU A 182 3.700 9.239 8.548 1.00 1.34 H new ATOM 2557 N GLN A 183 5.018 8.780 5.317 1.00 1.07 N ATOM 2558 CA GLN A 183 6.287 9.500 5.186 1.00 1.06 C ATOM 2559 C GLN A 183 6.197 10.629 4.170 1.00 1.13 C ATOM 2560 O GLN A 183 6.898 11.635 4.279 1.00 1.22 O ATOM 2561 CB GLN A 183 7.395 8.555 4.741 1.00 1.00 C ATOM 2562 CG GLN A 183 7.668 7.415 5.693 1.00 1.00 C ATOM 2563 CD GLN A 183 8.691 6.467 5.123 1.00 1.04 C ATOM 2564 OE1 GLN A 183 9.571 6.872 4.368 1.00 1.65 O ATOM 2565 NE2 GLN A 183 8.579 5.198 5.453 1.00 0.81 N ATOM 0 H GLN A 183 5.019 7.849 4.899 1.00 1.07 H new ATOM 0 HA GLN A 183 6.510 9.917 6.168 1.00 1.06 H new ATOM 0 HB2 GLN A 183 7.133 8.143 3.766 1.00 1.00 H new ATOM 0 HB3 GLN A 183 8.312 9.128 4.609 1.00 1.00 H new ATOM 0 HG2 GLN A 183 8.023 7.809 6.645 1.00 1.00 H new ATOM 0 HG3 GLN A 183 6.742 6.877 5.896 1.00 1.00 H new ATOM 0 HE21 GLN A 183 7.835 4.899 6.083 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.236 4.514 5.079 1.00 0.81 H new ATOM 2574 N GLY A 184 5.354 10.446 3.172 1.00 1.16 N ATOM 2575 CA GLY A 184 5.316 11.377 2.065 1.00 1.28 C ATOM 2576 C GLY A 184 6.054 10.821 0.872 1.00 1.23 C ATOM 2577 O GLY A 184 6.190 11.478 -0.161 1.00 1.38 O ATOM 0 H GLY A 184 4.694 9.671 3.106 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.281 11.584 1.794 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.763 12.325 2.365 1.00 1.28 H new ATOM 2581 N VAL A 185 6.528 9.595 1.027 1.00 1.10 N ATOM 2582 CA VAL A 185 7.271 8.921 -0.017 1.00 1.08 C ATOM 2583 C VAL A 185 6.320 8.241 -1.001 1.00 1.02 C ATOM 2584 O VAL A 185 5.413 7.498 -0.611 1.00 1.15 O ATOM 2585 CB VAL A 185 8.262 7.904 0.579 1.00 1.13 C ATOM 2586 CG1 VAL A 185 9.307 8.613 1.426 1.00 1.31 C ATOM 2587 CG2 VAL A 185 7.541 6.861 1.409 1.00 1.14 C ATOM 0 H VAL A 185 6.408 9.044 1.877 1.00 1.10 H new ATOM 0 HA VAL A 185 7.847 9.670 -0.560 1.00 1.08 H new ATOM 0 HB VAL A 185 8.760 7.399 -0.248 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.999 7.879 1.839 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.857 9.322 0.807 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.815 9.146 2.239 1.00 1.31 H new ATOM 0 HG21 VAL A 185 8.266 6.156 1.817 1.00 1.14 H new ATOM 0 HG22 VAL A 185 7.010 7.350 2.226 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.828 6.326 0.782 1.00 1.14 H new ATOM 2597 N GLU A 186 6.545 8.488 -2.278 1.00 0.93 N ATOM 2598 CA GLU A 186 5.600 8.109 -3.314 1.00 0.92 C ATOM 2599 C GLU A 186 6.207 7.059 -4.246 1.00 0.83 C ATOM 2600 O GLU A 186 6.964 6.187 -3.806 1.00 0.82 O ATOM 2601 CB GLU A 186 5.203 9.354 -4.103 1.00 1.02 C ATOM 2602 CG GLU A 186 4.718 10.506 -3.234 1.00 1.46 C ATOM 2603 CD GLU A 186 3.383 10.232 -2.568 1.00 2.45 C ATOM 2604 OE1 GLU A 186 2.422 9.890 -3.287 1.00 2.97 O ATOM 2605 OE2 GLU A 186 3.289 10.371 -1.331 1.00 3.02 O ATOM 0 H GLU A 186 7.383 8.954 -2.626 1.00 0.93 H new ATOM 0 HA GLU A 186 4.716 7.671 -2.850 1.00 0.92 H new ATOM 0 HB2 GLU A 186 6.059 9.689 -4.689 1.00 1.02 H new ATOM 0 HB3 GLU A 186 4.417 9.089 -4.810 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.464 10.712 -2.466 1.00 1.46 H new ATOM 0 HG3 GLU A 186 4.634 11.404 -3.846 1.00 1.46 H new ATOM 2612 N GLU A 187 5.853 7.116 -5.522 1.00 0.89 N ATOM 2613 CA GLU A 187 6.373 6.165 -6.493 1.00 0.91 C ATOM 2614 C GLU A 187 7.156 6.876 -7.589 1.00 0.91 C ATOM 2615 O GLU A 187 7.383 6.311 -8.656 1.00 1.14 O ATOM 2616 CB GLU A 187 5.246 5.345 -7.135 1.00 1.05 C ATOM 2617 CG GLU A 187 4.422 4.522 -6.155 1.00 1.11 C ATOM 2618 CD GLU A 187 3.282 5.308 -5.541 1.00 1.36 C ATOM 2619 OE1 GLU A 187 2.224 5.426 -6.188 1.00 1.72 O ATOM 2620 OE2 GLU A 187 3.436 5.808 -4.411 1.00 1.86 O ATOM 0 H GLU A 187 5.210 7.808 -5.908 1.00 0.89 H new ATOM 0 HA GLU A 187 7.037 5.491 -5.952 1.00 0.91 H new ATOM 0 HB2 GLU A 187 4.580 6.023 -7.669 1.00 1.05 H new ATOM 0 HB3 GLU A 187 5.680 4.675 -7.877 1.00 1.05 H new ATOM 0 HG2 GLU A 187 4.020 3.649 -6.669 1.00 1.11 H new ATOM 0 HG3 GLU A 187 5.072 4.153 -5.361 1.00 1.11 H new ATOM 2627 N HIS A 188 7.589 8.101 -7.329 1.00 0.92 N ATOM 2628 CA HIS A 188 8.295 8.872 -8.352 1.00 0.95 C ATOM 2629 C HIS A 188 9.761 9.097 -7.987 1.00 0.92 C ATOM 2630 O HIS A 188 10.550 9.556 -8.813 1.00 1.01 O ATOM 2631 CB HIS A 188 7.583 10.206 -8.644 1.00 1.04 C ATOM 2632 CG HIS A 188 7.218 11.023 -7.437 1.00 1.03 C ATOM 2633 ND1 HIS A 188 5.917 11.207 -7.028 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.982 11.731 -6.574 1.00 1.08 C ATOM 2635 CE1 HIS A 188 5.897 11.994 -5.971 1.00 1.14 C ATOM 2636 NE2 HIS A 188 7.137 12.328 -5.668 1.00 1.15 N ATOM 0 H HIS A 188 7.469 8.579 -6.436 1.00 0.92 H new ATOM 0 HA HIS A 188 8.277 8.278 -9.266 1.00 0.95 H new ATOM 0 HB2 HIS A 188 8.225 10.807 -9.287 1.00 1.04 H new ATOM 0 HB3 HIS A 188 6.674 9.997 -9.208 1.00 1.04 H new ATOM 0 HD2 HIS A 188 9.059 11.813 -6.593 1.00 1.08 H new ATOM 0 HE1 HIS A 188 5.012 12.313 -5.441 1.00 1.14 H new ATOM 0 HE2 HIS A 188 7.421 12.927 -4.893 1.00 1.15 H new ATOM 2645 N GLU A 189 10.123 8.772 -6.755 1.00 0.89 N ATOM 2646 CA GLU A 189 11.512 8.869 -6.312 1.00 0.92 C ATOM 2647 C GLU A 189 12.183 7.501 -6.401 1.00 0.78 C ATOM 2648 O GLU A 189 11.520 6.476 -6.242 1.00 0.74 O ATOM 2649 CB GLU A 189 11.599 9.379 -4.868 1.00 1.10 C ATOM 2650 CG GLU A 189 10.419 10.228 -4.416 1.00 1.37 C ATOM 2651 CD GLU A 189 9.217 9.389 -4.023 1.00 1.82 C ATOM 2652 OE1 GLU A 189 9.199 8.861 -2.892 1.00 2.38 O ATOM 2653 OE2 GLU A 189 8.293 9.248 -4.849 1.00 2.34 O ATOM 0 H GLU A 189 9.476 8.438 -6.041 1.00 0.89 H new ATOM 0 HA GLU A 189 12.023 9.578 -6.964 1.00 0.92 H new ATOM 0 HB2 GLU A 189 11.688 8.522 -4.200 1.00 1.10 H new ATOM 0 HB3 GLU A 189 12.512 9.964 -4.759 1.00 1.10 H new ATOM 0 HG2 GLU A 189 10.721 10.843 -3.569 1.00 1.37 H new ATOM 0 HG3 GLU A 189 10.136 10.909 -5.219 1.00 1.37 H new ATOM 2660 N THR A 190 13.482 7.478 -6.684 1.00 0.74 N ATOM 2661 CA THR A 190 14.222 6.221 -6.739 1.00 0.66 C ATOM 2662 C THR A 190 14.711 5.819 -5.355 1.00 0.57 C ATOM 2663 O THR A 190 15.391 6.589 -4.671 1.00 0.61 O ATOM 2664 CB THR A 190 15.421 6.316 -7.704 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.981 6.794 -8.982 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.095 4.958 -7.877 1.00 0.66 C ATOM 0 H THR A 190 14.041 8.309 -6.878 1.00 0.74 H new ATOM 0 HA THR A 190 13.537 5.459 -7.111 1.00 0.66 H new ATOM 0 HB THR A 190 16.144 7.011 -7.278 1.00 0.70 H new ATOM 0 HG1 THR A 190 15.747 6.854 -9.590 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.937 5.054 -8.562 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.453 4.604 -6.910 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.377 4.245 -8.282 1.00 0.66 H new ATOM 2674 N LEU A 191 14.378 4.601 -4.954 1.00 0.48 N ATOM 2675 CA LEU A 191 14.680 4.133 -3.616 1.00 0.42 C ATOM 2676 C LEU A 191 15.757 3.064 -3.692 1.00 0.39 C ATOM 2677 O LEU A 191 15.808 2.296 -4.649 1.00 0.38 O ATOM 2678 CB LEU A 191 13.431 3.562 -2.923 1.00 0.41 C ATOM 2679 CG LEU A 191 12.138 4.390 -3.034 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.419 5.886 -2.981 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.366 4.026 -4.292 1.00 0.82 C ATOM 0 H LEU A 191 13.897 3.919 -5.541 1.00 0.48 H new ATOM 0 HA LEU A 191 15.031 4.980 -3.027 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.237 2.571 -3.334 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.660 3.429 -1.866 1.00 0.41 H new ATOM 0 HG LEU A 191 11.519 4.145 -2.171 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.481 6.435 -3.062 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.903 6.132 -2.036 1.00 1.01 H new ATOM 0 HD13 LEU A 191 13.074 6.163 -3.807 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.457 4.625 -4.347 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.984 4.223 -5.168 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.103 2.969 -4.264 1.00 0.82 H new ATOM 2693 N LEU A 192 16.631 3.025 -2.707 1.00 0.39 N ATOM 2694 CA LEU A 192 17.723 2.070 -2.703 1.00 0.41 C ATOM 2695 C LEU A 192 17.679 1.267 -1.411 1.00 0.40 C ATOM 2696 O LEU A 192 17.144 1.735 -0.406 1.00 0.44 O ATOM 2697 CB LEU A 192 19.061 2.819 -2.786 1.00 0.44 C ATOM 2698 CG LEU A 192 18.971 4.266 -3.288 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.175 5.069 -2.827 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.864 4.310 -4.805 1.00 0.50 C ATOM 0 H LEU A 192 16.607 3.644 -1.897 1.00 0.39 H new ATOM 0 HA LEU A 192 17.626 1.402 -3.559 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.519 2.823 -1.797 1.00 0.44 H new ATOM 0 HB3 LEU A 192 19.729 2.264 -3.444 1.00 0.44 H new ATOM 0 HG LEU A 192 18.070 4.711 -2.865 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.092 6.092 -3.193 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.212 5.076 -1.738 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.086 4.616 -3.219 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.802 5.347 -5.135 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.744 3.841 -5.246 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.970 3.774 -5.122 1.00 0.50 H new ATOM 2712 N LEU A 193 18.195 0.055 -1.429 1.00 0.43 N ATOM 2713 CA LEU A 193 18.437 -0.652 -0.188 1.00 0.50 C ATOM 2714 C LEU A 193 19.931 -0.690 0.074 1.00 0.47 C ATOM 2715 O LEU A 193 20.735 -0.721 -0.857 1.00 0.49 O ATOM 2716 CB LEU A 193 17.828 -2.060 -0.204 1.00 0.68 C ATOM 2717 CG LEU A 193 18.432 -3.051 -1.197 1.00 0.44 C ATOM 2718 CD1 LEU A 193 19.571 -3.836 -0.565 1.00 1.09 C ATOM 2719 CD2 LEU A 193 17.364 -4.000 -1.701 1.00 1.03 C ATOM 0 H LEU A 193 18.451 -0.455 -2.275 1.00 0.43 H new ATOM 0 HA LEU A 193 17.944 -0.119 0.625 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.918 -2.482 0.797 1.00 0.68 H new ATOM 0 HB3 LEU A 193 16.763 -1.969 -0.417 1.00 0.68 H new ATOM 0 HG LEU A 193 18.835 -2.485 -2.037 1.00 0.44 H new ATOM 0 HD11 LEU A 193 19.981 -4.533 -1.295 1.00 1.09 H new ATOM 0 HD12 LEU A 193 20.352 -3.148 -0.242 1.00 1.09 H new ATOM 0 HD13 LEU A 193 19.197 -4.390 0.296 1.00 1.09 H new ATOM 0 HD21 LEU A 193 17.806 -4.702 -2.408 1.00 1.03 H new ATOM 0 HD22 LEU A 193 16.940 -4.550 -0.861 1.00 1.03 H new ATOM 0 HD23 LEU A 193 16.577 -3.432 -2.197 1.00 1.03 H new ATOM 2731 N ARG A 194 20.294 -0.667 1.336 1.00 0.46 N ATOM 2732 CA ARG A 194 21.689 -0.573 1.724 1.00 0.46 C ATOM 2733 C ARG A 194 22.043 -1.690 2.675 1.00 0.44 C ATOM 2734 O ARG A 194 21.232 -2.085 3.506 1.00 0.49 O ATOM 2735 CB ARG A 194 21.965 0.770 2.395 1.00 0.53 C ATOM 2736 CG ARG A 194 21.913 1.955 1.448 1.00 0.60 C ATOM 2737 CD ARG A 194 23.142 2.040 0.559 1.00 0.65 C ATOM 2738 NE ARG A 194 24.354 2.315 1.330 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.252 3.242 0.996 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.127 3.910 -0.144 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.290 3.481 1.789 1.00 1.06 N ATOM 0 H ARG A 194 19.641 -0.712 2.118 1.00 0.46 H new ATOM 0 HA ARG A 194 22.300 -0.657 0.826 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.237 0.923 3.192 1.00 0.53 H new ATOM 0 HB3 ARG A 194 22.949 0.735 2.864 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.022 1.880 0.825 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.822 2.875 2.026 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.262 1.103 0.015 1.00 0.65 H new ATOM 0 HD3 ARG A 194 22.999 2.824 -0.185 1.00 0.65 H new ATOM 0 HE ARG A 194 24.522 1.765 2.173 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.343 3.715 -0.766 1.00 1.25 H new ATOM 0 HH12 ARG A 194 25.815 4.619 -0.398 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.401 2.955 2.656 1.00 1.06 H new ATOM 0 HH22 ARG A 194 26.976 4.191 1.531 1.00 1.06 H new ATOM 2755 N ARG A 195 23.246 -2.199 2.553 1.00 0.45 N ATOM 2756 CA ARG A 195 23.715 -3.210 3.471 1.00 0.50 C ATOM 2757 C ARG A 195 24.153 -2.552 4.773 1.00 0.55 C ATOM 2758 O ARG A 195 25.105 -1.775 4.799 1.00 0.64 O ATOM 2759 CB ARG A 195 24.862 -4.011 2.859 1.00 0.59 C ATOM 2760 CG ARG A 195 24.948 -5.421 3.408 1.00 1.02 C ATOM 2761 CD ARG A 195 26.008 -6.243 2.706 1.00 1.07 C ATOM 2762 NE ARG A 195 25.796 -7.671 2.923 1.00 1.49 N ATOM 2763 CZ ARG A 195 25.703 -8.560 1.936 1.00 2.13 C ATOM 2764 NH1 ARG A 195 25.913 -8.180 0.682 1.00 2.34 N ATOM 2765 NH2 ARG A 195 25.409 -9.827 2.199 1.00 2.68 N ATOM 0 H ARG A 195 23.915 -1.932 1.831 1.00 0.45 H new ATOM 0 HA ARG A 195 22.900 -3.904 3.678 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.734 -4.054 1.777 1.00 0.59 H new ATOM 0 HB3 ARG A 195 25.803 -3.494 3.048 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.169 -5.381 4.475 1.00 1.02 H new ATOM 0 HG3 ARG A 195 23.980 -5.911 3.301 1.00 1.02 H new ATOM 0 HD2 ARG A 195 25.991 -6.028 1.638 1.00 1.07 H new ATOM 0 HD3 ARG A 195 26.995 -5.959 3.072 1.00 1.07 H new ATOM 0 HE ARG A 195 25.715 -8.006 3.883 1.00 1.49 H new ATOM 0 HH11 ARG A 195 26.145 -7.208 0.476 1.00 2.34 H new ATOM 0 HH12 ARG A 195 25.842 -8.859 -0.075 1.00 2.34 H new ATOM 0 HH21 ARG A 195 25.253 -10.125 3.162 1.00 2.68 H new ATOM 0 HH22 ARG A 195 25.339 -10.503 1.438 1.00 2.68 H new ATOM 2779 N LYS A 196 23.423 -2.837 5.836 1.00 0.60 N ATOM 2780 CA LYS A 196 23.719 -2.292 7.149 1.00 0.69 C ATOM 2781 C LYS A 196 24.698 -3.202 7.875 1.00 0.76 C ATOM 2782 O LYS A 196 25.638 -2.738 8.522 1.00 0.88 O ATOM 2783 CB LYS A 196 22.434 -2.138 7.963 1.00 0.75 C ATOM 2784 CG LYS A 196 22.659 -1.540 9.340 1.00 0.88 C ATOM 2785 CD LYS A 196 21.352 -1.348 10.088 1.00 1.28 C ATOM 2786 CE LYS A 196 21.575 -0.660 11.423 1.00 1.65 C ATOM 2787 NZ LYS A 196 22.253 0.654 11.259 1.00 2.15 N ATOM 0 H LYS A 196 22.609 -3.452 5.814 1.00 0.60 H new ATOM 0 HA LYS A 196 24.171 -1.307 7.030 1.00 0.69 H new ATOM 0 HB2 LYS A 196 21.737 -1.508 7.411 1.00 0.75 H new ATOM 0 HB3 LYS A 196 21.963 -3.115 8.072 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.316 -2.191 9.917 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.167 -0.580 9.242 1.00 0.88 H new ATOM 0 HD2 LYS A 196 20.667 -0.756 9.481 1.00 1.28 H new ATOM 0 HD3 LYS A 196 20.878 -2.316 10.250 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.617 -0.515 11.922 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.176 -1.302 12.067 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 22.105 1.230 12.112 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 23.272 0.503 11.115 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 21.856 1.149 10.435 1.00 2.15 H new ATOM 2801 N PHE A 197 24.474 -4.504 7.764 1.00 0.77 N ATOM 2802 CA PHE A 197 25.404 -5.475 8.309 1.00 0.89 C ATOM 2803 C PHE A 197 26.383 -5.865 7.224 1.00 0.96 C ATOM 2804 O PHE A 197 26.001 -6.028 6.070 1.00 0.92 O ATOM 2805 CB PHE A 197 24.686 -6.718 8.832 1.00 0.95 C ATOM 2806 CG PHE A 197 23.614 -6.429 9.846 1.00 0.94 C ATOM 2807 CD1 PHE A 197 23.834 -5.506 10.854 1.00 1.14 C ATOM 2808 CD2 PHE A 197 22.388 -7.075 9.793 1.00 0.92 C ATOM 2809 CE1 PHE A 197 22.857 -5.232 11.790 1.00 1.19 C ATOM 2810 CE2 PHE A 197 21.406 -6.806 10.727 1.00 0.95 C ATOM 2811 CZ PHE A 197 21.624 -5.909 11.717 1.00 1.03 C ATOM 0 H PHE A 197 23.659 -4.908 7.303 1.00 0.77 H new ATOM 0 HA PHE A 197 25.925 -5.023 9.153 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.241 -7.248 7.990 1.00 0.95 H new ATOM 0 HB3 PHE A 197 25.421 -7.388 9.278 1.00 0.95 H new ATOM 0 HD1 PHE A 197 24.783 -4.993 10.909 1.00 1.14 H new ATOM 0 HD2 PHE A 197 22.199 -7.797 9.012 1.00 0.92 H new ATOM 0 HE1 PHE A 197 23.036 -4.506 12.570 1.00 1.19 H new ATOM 0 HE2 PHE A 197 20.456 -7.316 10.667 1.00 0.95 H new ATOM 0 HZ PHE A 197 20.855 -5.713 12.449 1.00 1.03 H new