USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 603 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 165 ASN : amide:sc= -3.65! C(o=-4.2!,f=-10!) USER MOD Set 1.2: A 171 SER OG : rot 14:sc= -0.569! USER MOD Set 2.1: A 152 HIS : no HD1:sc= -10.8! C(o=-15!,f=-17!) USER MOD Set 2.2: A 153 ASN : amide:sc= -4.01 K(o=-15,f=-16!) USER MOD Set 3.1: A 140 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 142 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 78:sc= 1.18 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 112 SER OG : rot -82:sc= 1.2 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 122 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.5!) USER MOD Single : A 124 TYR OH : rot -27:sc= -1.74 USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 158:sc= -1.18! USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 149:sc= -0.273 (180deg=-1.48!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.8!) USER MOD Single : A 143 SER OG : rot 180:sc= -0.327 USER MOD Single : A 147 LYS NZ :NH3+ -140:sc= -4.31! (180deg=-4.8!) USER MOD Single : A 148 ASN : amide:sc= -8.97! C(o=-9!,f=-12!) USER MOD Single : A 149 SER OG : rot -70:sc= 0.579 USER MOD Single : A 155 SER OG : rot 38:sc= 0.41 USER MOD Single : A 157 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.03) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0367) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.74) USER MOD Single : A 172 SER OG : rot -170:sc= 0.0782 USER MOD Single : A 175 MET CE :methyl -137:sc= -0.605 (180deg=-1.45) USER MOD Single : A 177 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -8.143 10.293 5.233 1.00 0.00 N ATOM 130 CA GLN A 100 -8.195 8.811 5.136 1.00 0.00 C ATOM 131 C GLN A 100 -7.006 8.199 5.865 1.00 0.00 C ATOM 132 O GLN A 100 -5.928 8.761 5.908 1.00 0.00 O ATOM 133 CB GLN A 100 -8.165 8.391 3.667 1.00 0.00 C ATOM 134 CG GLN A 100 -9.361 9.014 2.946 1.00 0.00 C ATOM 135 CD GLN A 100 -9.672 8.227 1.674 1.00 0.00 C ATOM 136 OE1 GLN A 100 -10.716 7.619 1.565 1.00 0.00 O ATOM 137 NE2 GLN A 100 -8.803 8.211 0.702 1.00 0.00 N ATOM 0 HA GLN A 100 -9.117 8.457 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.234 8.715 3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.200 7.305 3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.231 9.018 3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.145 10.053 2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.925 8.722 0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.001 7.687 -0.150 1.00 0.00 H new ATOM 146 N SER A 101 -7.193 7.043 6.438 1.00 0.00 N ATOM 147 CA SER A 101 -6.076 6.384 7.163 1.00 0.00 C ATOM 148 C SER A 101 -5.231 5.610 6.156 1.00 0.00 C ATOM 149 O SER A 101 -5.706 5.210 5.111 1.00 0.00 O ATOM 150 CB SER A 101 -6.644 5.432 8.214 1.00 0.00 C ATOM 151 OG SER A 101 -7.347 4.383 7.564 1.00 0.00 O ATOM 0 H SER A 101 -8.073 6.527 6.434 1.00 0.00 H new ATOM 0 HA SER A 101 -5.458 7.130 7.662 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.839 5.023 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.311 5.971 8.887 1.00 0.00 H new ATOM 0 HG SER A 101 -7.712 3.769 8.235 1.00 0.00 H new ATOM 157 N TYR A 102 -3.979 5.407 6.449 1.00 0.00 N ATOM 158 CA TYR A 102 -3.105 4.675 5.493 1.00 0.00 C ATOM 159 C TYR A 102 -3.616 3.247 5.287 1.00 0.00 C ATOM 160 O TYR A 102 -3.530 2.711 4.206 1.00 0.00 O ATOM 161 CB TYR A 102 -1.667 4.656 6.025 1.00 0.00 C ATOM 162 CG TYR A 102 -0.990 5.951 5.631 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.731 6.212 4.281 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.633 6.894 6.607 1.00 0.00 C ATOM 165 CE1 TYR A 102 -0.120 7.411 3.901 1.00 0.00 C ATOM 166 CE2 TYR A 102 -0.017 8.097 6.225 1.00 0.00 C ATOM 167 CZ TYR A 102 0.240 8.354 4.872 1.00 0.00 C ATOM 168 OH TYR A 102 0.844 9.537 4.493 1.00 0.00 O ATOM 0 H TYR A 102 -3.523 5.716 7.308 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.124 5.186 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.666 4.543 7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.123 3.805 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.004 5.485 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.832 6.695 7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.075 7.610 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.259 8.824 6.974 1.00 0.00 H new ATOM 0 HH TYR A 102 1.027 10.080 5.288 1.00 0.00 H new ATOM 178 N ALA A 103 -4.156 2.627 6.297 1.00 0.00 N ATOM 179 CA ALA A 103 -4.664 1.241 6.106 1.00 0.00 C ATOM 180 C ALA A 103 -5.670 1.230 4.951 1.00 0.00 C ATOM 181 O ALA A 103 -5.681 0.336 4.127 1.00 0.00 O ATOM 182 CB ALA A 103 -5.341 0.757 7.394 1.00 0.00 C ATOM 0 H ALA A 103 -4.267 3.013 7.235 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.834 0.574 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.712 -0.258 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.619 0.768 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.174 1.417 7.637 1.00 0.00 H new ATOM 188 N GLU A 104 -6.518 2.220 4.885 1.00 0.00 N ATOM 189 CA GLU A 104 -7.526 2.265 3.787 1.00 0.00 C ATOM 190 C GLU A 104 -6.825 2.413 2.438 1.00 0.00 C ATOM 191 O GLU A 104 -7.164 1.750 1.481 1.00 0.00 O ATOM 192 CB GLU A 104 -8.460 3.462 3.989 1.00 0.00 C ATOM 193 CG GLU A 104 -9.347 3.239 5.216 1.00 0.00 C ATOM 194 CD GLU A 104 -10.399 2.173 4.903 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.060 0.999 4.941 1.00 0.00 O ATOM 196 OE2 GLU A 104 -11.530 2.549 4.635 1.00 0.00 O ATOM 0 H GLU A 104 -6.557 2.999 5.543 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.100 1.338 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.874 4.372 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.080 3.602 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.739 2.926 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.834 4.172 5.500 1.00 0.00 H new ATOM 203 N LEU A 105 -5.862 3.286 2.346 1.00 0.00 N ATOM 204 CA LEU A 105 -5.167 3.473 1.046 1.00 0.00 C ATOM 205 C LEU A 105 -4.425 2.189 0.662 1.00 0.00 C ATOM 206 O LEU A 105 -4.434 1.781 -0.483 1.00 0.00 O ATOM 207 CB LEU A 105 -4.194 4.656 1.143 1.00 0.00 C ATOM 208 CG LEU A 105 -4.978 5.970 0.982 1.00 0.00 C ATOM 209 CD1 LEU A 105 -4.092 7.161 1.380 1.00 0.00 C ATOM 210 CD2 LEU A 105 -5.436 6.135 -0.480 1.00 0.00 C ATOM 0 H LEU A 105 -5.529 3.874 3.110 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.901 3.691 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.679 4.641 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.429 4.578 0.370 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.853 5.939 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.654 8.088 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.782 7.053 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.210 7.188 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.990 7.068 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.564 6.155 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.078 5.299 -0.757 1.00 0.00 H new ATOM 222 N ILE A 106 -3.792 1.538 1.602 1.00 0.00 N ATOM 223 CA ILE A 106 -3.070 0.275 1.268 1.00 0.00 C ATOM 224 C ILE A 106 -4.081 -0.774 0.785 1.00 0.00 C ATOM 225 O ILE A 106 -3.834 -1.506 -0.154 1.00 0.00 O ATOM 226 CB ILE A 106 -2.319 -0.243 2.502 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.336 0.827 2.986 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.535 -1.511 2.138 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.738 0.412 4.334 1.00 0.00 C ATOM 0 H ILE A 106 -3.743 1.823 2.580 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.346 0.469 0.477 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.038 -0.471 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.542 0.963 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.847 1.785 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.003 -1.875 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.226 -2.278 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.818 -1.282 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.040 1.177 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.537 0.299 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.212 -0.536 4.222 1.00 0.00 H new ATOM 241 N SER A 107 -5.223 -0.851 1.420 1.00 0.00 N ATOM 242 CA SER A 107 -6.252 -1.845 0.994 1.00 0.00 C ATOM 243 C SER A 107 -6.620 -1.607 -0.465 1.00 0.00 C ATOM 244 O SER A 107 -6.750 -2.527 -1.248 1.00 0.00 O ATOM 245 CB SER A 107 -7.506 -1.678 1.849 1.00 0.00 C ATOM 246 OG SER A 107 -7.159 -1.770 3.221 1.00 0.00 O ATOM 0 H SER A 107 -5.486 -0.268 2.215 1.00 0.00 H new ATOM 0 HA SER A 107 -5.849 -2.850 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.973 -0.714 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.237 -2.446 1.596 1.00 0.00 H new ATOM 0 HG SER A 107 -6.757 -0.926 3.514 1.00 0.00 H new ATOM 252 N GLN A 108 -6.804 -0.371 -0.829 1.00 0.00 N ATOM 253 CA GLN A 108 -7.186 -0.051 -2.230 1.00 0.00 C ATOM 254 C GLN A 108 -6.139 -0.607 -3.192 1.00 0.00 C ATOM 255 O GLN A 108 -6.464 -1.203 -4.198 1.00 0.00 O ATOM 256 CB GLN A 108 -7.267 1.467 -2.378 1.00 0.00 C ATOM 257 CG GLN A 108 -8.460 1.987 -1.576 1.00 0.00 C ATOM 258 CD GLN A 108 -8.498 3.511 -1.655 1.00 0.00 C ATOM 259 OE1 GLN A 108 -8.254 4.082 -2.699 1.00 0.00 O ATOM 260 NE2 GLN A 108 -8.791 4.199 -0.586 1.00 0.00 N ATOM 0 H GLN A 108 -6.706 0.436 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 108 -8.151 -0.501 -2.463 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.346 1.929 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.374 1.737 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.387 1.568 -1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.381 1.667 -0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -8.996 3.718 0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -8.815 5.218 -0.626 1.00 0.00 H new ATOM 269 N ALA A 109 -4.888 -0.421 -2.892 1.00 0.00 N ATOM 270 CA ALA A 109 -3.824 -0.938 -3.791 1.00 0.00 C ATOM 271 C ALA A 109 -3.982 -2.449 -3.963 1.00 0.00 C ATOM 272 O ALA A 109 -4.034 -2.952 -5.068 1.00 0.00 O ATOM 273 CB ALA A 109 -2.457 -0.632 -3.184 1.00 0.00 C ATOM 0 H ALA A 109 -4.555 0.068 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.907 -0.457 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.674 -1.010 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.344 0.446 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.376 -1.113 -2.209 1.00 0.00 H new ATOM 279 N ILE A 110 -4.062 -3.186 -2.888 1.00 0.00 N ATOM 280 CA ILE A 110 -4.216 -4.662 -3.025 1.00 0.00 C ATOM 281 C ILE A 110 -5.543 -4.958 -3.720 1.00 0.00 C ATOM 282 O ILE A 110 -5.610 -5.742 -4.648 1.00 0.00 O ATOM 283 CB ILE A 110 -4.193 -5.323 -1.647 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.849 -5.042 -0.977 1.00 0.00 C ATOM 285 CG2 ILE A 110 -4.366 -6.833 -1.804 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.946 -5.370 0.511 1.00 0.00 C ATOM 0 H ILE A 110 -4.028 -2.835 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.392 -5.062 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.003 -4.922 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.066 -5.641 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.574 -3.996 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.350 -7.305 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.319 -7.041 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.553 -7.231 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.988 -5.170 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.718 -4.752 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.202 -6.422 0.636 1.00 0.00 H new ATOM 298 N GLU A 111 -6.603 -4.326 -3.288 1.00 0.00 N ATOM 299 CA GLU A 111 -7.925 -4.558 -3.936 1.00 0.00 C ATOM 300 C GLU A 111 -7.847 -4.169 -5.416 1.00 0.00 C ATOM 301 O GLU A 111 -8.544 -4.714 -6.250 1.00 0.00 O ATOM 302 CB GLU A 111 -8.989 -3.693 -3.255 1.00 0.00 C ATOM 303 CG GLU A 111 -9.322 -4.264 -1.875 1.00 0.00 C ATOM 304 CD GLU A 111 -10.507 -3.497 -1.280 1.00 0.00 C ATOM 305 OE1 GLU A 111 -10.991 -2.588 -1.937 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.904 -3.829 -0.171 1.00 0.00 O ATOM 0 H GLU A 111 -6.609 -3.660 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.188 -5.612 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.629 -2.669 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.888 -3.657 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.564 -5.324 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.456 -4.185 -1.218 1.00 0.00 H new ATOM 313 N SER A 112 -7.011 -3.219 -5.744 1.00 0.00 N ATOM 314 CA SER A 112 -6.902 -2.783 -7.167 1.00 0.00 C ATOM 315 C SER A 112 -6.203 -3.868 -7.976 1.00 0.00 C ATOM 316 O SER A 112 -6.499 -4.081 -9.136 1.00 0.00 O ATOM 317 CB SER A 112 -6.075 -1.495 -7.245 1.00 0.00 C ATOM 318 OG SER A 112 -4.693 -1.823 -7.246 1.00 0.00 O ATOM 0 H SER A 112 -6.401 -2.728 -5.090 1.00 0.00 H new ATOM 0 HA SER A 112 -7.900 -2.606 -7.568 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.329 -0.940 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.306 -0.849 -6.398 1.00 0.00 H new ATOM 0 HG SER A 112 -4.390 -1.968 -6.325 1.00 0.00 H new ATOM 324 N ALA A 113 -5.280 -4.561 -7.376 1.00 0.00 N ATOM 325 CA ALA A 113 -4.567 -5.634 -8.116 1.00 0.00 C ATOM 326 C ALA A 113 -5.520 -6.816 -8.347 1.00 0.00 C ATOM 327 O ALA A 113 -6.363 -7.109 -7.523 1.00 0.00 O ATOM 328 CB ALA A 113 -3.354 -6.095 -7.298 1.00 0.00 C ATOM 0 H ALA A 113 -4.989 -4.431 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.228 -5.253 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.829 -6.882 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.681 -5.253 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.689 -6.478 -6.334 1.00 0.00 H new ATOM 334 N PRO A 114 -5.375 -7.499 -9.453 1.00 0.00 N ATOM 335 CA PRO A 114 -6.222 -8.682 -9.792 1.00 0.00 C ATOM 336 C PRO A 114 -5.930 -9.859 -8.859 1.00 0.00 C ATOM 337 O PRO A 114 -6.805 -10.365 -8.183 1.00 0.00 O ATOM 338 CB PRO A 114 -5.809 -9.024 -11.227 1.00 0.00 C ATOM 339 CG PRO A 114 -4.420 -8.495 -11.354 1.00 0.00 C ATOM 340 CD PRO A 114 -4.386 -7.227 -10.506 1.00 0.00 C ATOM 0 HA PRO A 114 -7.287 -8.474 -9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -5.842 -10.099 -11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.478 -8.561 -11.953 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.689 -9.223 -11.001 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.177 -8.278 -12.394 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.395 -7.047 -10.090 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.651 -6.345 -11.089 1.00 0.00 H new ATOM 348 N GLU A 115 -4.695 -10.285 -8.808 1.00 0.00 N ATOM 349 CA GLU A 115 -4.321 -11.411 -7.905 1.00 0.00 C ATOM 350 C GLU A 115 -4.578 -10.976 -6.468 1.00 0.00 C ATOM 351 O GLU A 115 -4.632 -11.781 -5.560 1.00 0.00 O ATOM 352 CB GLU A 115 -2.824 -11.725 -8.054 1.00 0.00 C ATOM 353 CG GLU A 115 -2.517 -12.236 -9.463 1.00 0.00 C ATOM 354 CD GLU A 115 -1.012 -12.486 -9.593 1.00 0.00 C ATOM 355 OE1 GLU A 115 -0.253 -11.702 -9.043 1.00 0.00 O ATOM 356 OE2 GLU A 115 -0.644 -13.452 -10.239 1.00 0.00 O ATOM 0 H GLU A 115 -3.926 -9.899 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.907 -12.294 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.237 -10.829 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.529 -12.473 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.068 -13.156 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.842 -11.507 -10.206 1.00 0.00 H new ATOM 363 N LYS A 116 -4.701 -9.693 -6.260 1.00 0.00 N ATOM 364 CA LYS A 116 -4.919 -9.160 -4.887 1.00 0.00 C ATOM 365 C LYS A 116 -3.672 -9.457 -4.055 1.00 0.00 C ATOM 366 O LYS A 116 -3.741 -10.074 -3.013 1.00 0.00 O ATOM 367 CB LYS A 116 -6.137 -9.825 -4.230 1.00 0.00 C ATOM 368 CG LYS A 116 -7.380 -9.645 -5.107 1.00 0.00 C ATOM 369 CD LYS A 116 -8.602 -10.172 -4.353 1.00 0.00 C ATOM 370 CE LYS A 116 -9.811 -10.199 -5.288 1.00 0.00 C ATOM 371 NZ LYS A 116 -11.047 -10.437 -4.489 1.00 0.00 N ATOM 0 H LYS A 116 -4.659 -8.984 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.103 -8.087 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.942 -10.887 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.311 -9.389 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.516 -8.593 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.258 -10.182 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.402 -11.173 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.811 -9.539 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.889 -9.255 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.690 -10.984 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.872 -10.456 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.970 -11.348 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.163 -9.673 -3.793 1.00 0.00 H new ATOM 385 N ARG A 117 -2.525 -9.031 -4.518 1.00 0.00 N ATOM 386 CA ARG A 117 -1.262 -9.297 -3.767 1.00 0.00 C ATOM 387 C ARG A 117 -0.218 -8.238 -4.145 1.00 0.00 C ATOM 388 O ARG A 117 -0.051 -7.911 -5.302 1.00 0.00 O ATOM 389 CB ARG A 117 -0.709 -10.680 -4.157 1.00 0.00 C ATOM 390 CG ARG A 117 -1.703 -11.784 -3.793 1.00 0.00 C ATOM 391 CD ARG A 117 -1.085 -13.149 -4.106 1.00 0.00 C ATOM 392 NE ARG A 117 -2.136 -14.199 -3.988 1.00 0.00 N ATOM 393 CZ ARG A 117 -1.902 -15.411 -4.410 1.00 0.00 C ATOM 394 NH1 ARG A 117 -0.740 -15.712 -4.921 1.00 0.00 N ATOM 395 NH2 ARG A 117 -2.827 -16.322 -4.308 1.00 0.00 N ATOM 0 H ARG A 117 -2.409 -8.509 -5.386 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.469 -9.265 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.505 -10.707 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.239 -10.855 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.960 -11.723 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.629 -11.654 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.664 -13.150 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.266 -13.358 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.041 -13.969 -3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.014 -14.999 -4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.558 -16.660 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -3.731 -16.087 -3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -2.647 -17.271 -4.637 1.00 0.00 H new ATOM 409 N LEU A 118 0.504 -7.713 -3.182 1.00 0.00 N ATOM 410 CA LEU A 118 1.555 -6.689 -3.500 1.00 0.00 C ATOM 411 C LEU A 118 2.717 -6.833 -2.512 1.00 0.00 C ATOM 412 O LEU A 118 2.522 -7.142 -1.353 1.00 0.00 O ATOM 413 CB LEU A 118 0.991 -5.264 -3.358 1.00 0.00 C ATOM 414 CG LEU A 118 0.111 -4.877 -4.555 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.336 -3.423 -4.373 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.898 -4.999 -5.869 1.00 0.00 C ATOM 0 H LEU A 118 0.413 -7.947 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 118 1.888 -6.851 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.407 -5.194 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.814 -4.555 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.748 -5.546 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.963 -3.127 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.903 -3.330 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.540 -2.776 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.256 -4.720 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.762 -4.336 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.235 -6.028 -5.997 1.00 0.00 H new ATOM 428 N THR A 119 3.923 -6.589 -2.952 1.00 0.00 N ATOM 429 CA THR A 119 5.084 -6.692 -2.026 1.00 0.00 C ATOM 430 C THR A 119 5.282 -5.347 -1.327 1.00 0.00 C ATOM 431 O THR A 119 4.595 -4.384 -1.609 1.00 0.00 O ATOM 432 CB THR A 119 6.347 -7.061 -2.810 1.00 0.00 C ATOM 433 OG1 THR A 119 6.467 -6.215 -3.948 1.00 0.00 O ATOM 434 CG2 THR A 119 6.262 -8.527 -3.258 1.00 0.00 C ATOM 0 H THR A 119 4.152 -6.324 -3.910 1.00 0.00 H new ATOM 0 HA THR A 119 4.893 -7.468 -1.285 1.00 0.00 H new ATOM 0 HB THR A 119 7.222 -6.930 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.276 -6.451 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.161 -8.790 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.177 -9.171 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.387 -8.663 -3.894 1.00 0.00 H new ATOM 442 N LEU A 120 6.204 -5.273 -0.411 1.00 0.00 N ATOM 443 CA LEU A 120 6.438 -3.990 0.313 1.00 0.00 C ATOM 444 C LEU A 120 6.833 -2.888 -0.681 1.00 0.00 C ATOM 445 O LEU A 120 6.284 -1.803 -0.665 1.00 0.00 O ATOM 446 CB LEU A 120 7.556 -4.191 1.341 1.00 0.00 C ATOM 447 CG LEU A 120 7.753 -2.915 2.167 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.516 -2.655 3.043 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.995 -3.084 3.053 1.00 0.00 C ATOM 0 H LEU A 120 6.808 -6.046 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 120 5.523 -3.688 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.309 -5.024 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.485 -4.451 0.833 1.00 0.00 H new ATOM 0 HG LEU A 120 7.889 -2.065 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.667 -1.746 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.638 -2.537 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.365 -3.497 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.145 -2.181 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.854 -3.936 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.869 -3.255 2.425 1.00 0.00 H new ATOM 461 N ALA A 121 7.788 -3.146 -1.536 1.00 0.00 N ATOM 462 CA ALA A 121 8.216 -2.099 -2.513 1.00 0.00 C ATOM 463 C ALA A 121 7.034 -1.658 -3.386 1.00 0.00 C ATOM 464 O ALA A 121 6.934 -0.507 -3.761 1.00 0.00 O ATOM 465 CB ALA A 121 9.335 -2.648 -3.405 1.00 0.00 C ATOM 0 H ALA A 121 8.289 -4.032 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 121 8.582 -1.236 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.643 -1.881 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.186 -2.933 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.972 -3.521 -3.948 1.00 0.00 H new ATOM 471 N GLN A 122 6.151 -2.554 -3.723 1.00 0.00 N ATOM 472 CA GLN A 122 4.998 -2.173 -4.590 1.00 0.00 C ATOM 473 C GLN A 122 4.092 -1.174 -3.863 1.00 0.00 C ATOM 474 O GLN A 122 3.590 -0.242 -4.461 1.00 0.00 O ATOM 475 CB GLN A 122 4.198 -3.423 -4.938 1.00 0.00 C ATOM 476 CG GLN A 122 5.007 -4.305 -5.891 1.00 0.00 C ATOM 477 CD GLN A 122 5.182 -3.587 -7.232 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.338 -2.813 -7.633 1.00 0.00 O ATOM 479 NE2 GLN A 122 6.252 -3.811 -7.947 1.00 0.00 N ATOM 0 H GLN A 122 6.176 -3.533 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 122 5.376 -1.707 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.958 -3.977 -4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.252 -3.143 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.982 -4.528 -5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 122 4.499 -5.258 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.963 -4.461 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.377 -3.336 -8.841 1.00 0.00 H new ATOM 488 N ILE A 123 3.871 -1.344 -2.588 1.00 0.00 N ATOM 489 CA ILE A 123 2.995 -0.374 -1.866 1.00 0.00 C ATOM 490 C ILE A 123 3.598 1.015 -1.989 1.00 0.00 C ATOM 491 O ILE A 123 2.914 1.986 -2.238 1.00 0.00 O ATOM 492 CB ILE A 123 2.904 -0.735 -0.385 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.295 -2.130 -0.221 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.021 0.297 0.323 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.410 -2.577 1.240 1.00 0.00 C ATOM 0 H ILE A 123 4.252 -2.101 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 123 1.997 -0.405 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 123 3.902 -0.734 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.249 -2.118 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.808 -2.840 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.949 0.049 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.460 1.289 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.025 0.289 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.975 -3.570 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.460 -2.606 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.876 -1.873 1.879 1.00 0.00 H new ATOM 507 N TYR A 124 4.882 1.111 -1.804 1.00 0.00 N ATOM 508 CA TYR A 124 5.552 2.431 -1.901 1.00 0.00 C ATOM 509 C TYR A 124 5.328 3.029 -3.293 1.00 0.00 C ATOM 510 O TYR A 124 4.859 4.140 -3.439 1.00 0.00 O ATOM 511 CB TYR A 124 7.056 2.244 -1.690 1.00 0.00 C ATOM 512 CG TYR A 124 7.372 1.612 -0.339 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.359 1.331 0.597 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.704 1.298 -0.030 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.686 0.741 1.824 1.00 0.00 C ATOM 516 CE2 TYR A 124 9.024 0.706 1.198 1.00 0.00 C ATOM 517 CZ TYR A 124 8.014 0.429 2.123 1.00 0.00 C ATOM 518 OH TYR A 124 8.329 -0.155 3.330 1.00 0.00 O ATOM 0 H TYR A 124 5.498 0.327 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 124 5.139 3.098 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.458 1.617 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.555 3.210 -1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.331 1.570 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.486 1.514 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.908 0.526 2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 124 10.051 0.464 1.430 1.00 0.00 H new ATOM 0 HH TYR A 124 7.660 0.098 4.000 1.00 0.00 H new ATOM 528 N GLU A 125 5.681 2.303 -4.320 1.00 0.00 N ATOM 529 CA GLU A 125 5.514 2.834 -5.705 1.00 0.00 C ATOM 530 C GLU A 125 4.042 3.177 -5.966 1.00 0.00 C ATOM 531 O GLU A 125 3.732 4.185 -6.568 1.00 0.00 O ATOM 532 CB GLU A 125 5.984 1.779 -6.712 1.00 0.00 C ATOM 533 CG GLU A 125 7.464 1.464 -6.467 1.00 0.00 C ATOM 534 CD GLU A 125 7.892 0.276 -7.336 1.00 0.00 C ATOM 535 OE1 GLU A 125 7.328 0.117 -8.408 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.777 -0.452 -6.916 1.00 0.00 O ATOM 0 H GLU A 125 6.078 1.365 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 125 6.111 3.739 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.387 0.873 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.842 2.143 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.075 2.336 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.627 1.234 -5.414 1.00 0.00 H new ATOM 543 N TRP A 126 3.143 2.342 -5.528 1.00 0.00 N ATOM 544 CA TRP A 126 1.690 2.608 -5.748 1.00 0.00 C ATOM 545 C TRP A 126 1.287 3.928 -5.073 1.00 0.00 C ATOM 546 O TRP A 126 0.613 4.750 -5.659 1.00 0.00 O ATOM 547 CB TRP A 126 0.888 1.439 -5.167 1.00 0.00 C ATOM 548 CG TRP A 126 -0.577 1.606 -5.435 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.236 1.120 -6.515 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.578 2.272 -4.616 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.576 1.448 -6.409 1.00 0.00 N ATOM 552 CE2 TRP A 126 -2.838 2.160 -5.259 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.518 2.958 -3.392 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -3.993 2.709 -4.702 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.680 3.512 -2.830 1.00 0.00 C ATOM 556 CH2 TRP A 126 -3.914 3.387 -3.484 1.00 0.00 C ATOM 0 H TRP A 126 3.351 1.480 -5.023 1.00 0.00 H new ATOM 0 HA TRP A 126 1.483 2.698 -6.814 1.00 0.00 H new ATOM 0 HB2 TRP A 126 1.236 0.502 -5.602 1.00 0.00 H new ATOM 0 HB3 TRP A 126 1.060 1.374 -4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -0.788 0.566 -7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.284 1.194 -7.098 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.573 3.060 -2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.941 2.610 -5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.623 4.038 -1.888 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -4.803 3.815 -3.046 1.00 0.00 H new ATOM 567 N MET A 127 1.689 4.142 -3.846 1.00 0.00 N ATOM 568 CA MET A 127 1.315 5.414 -3.154 1.00 0.00 C ATOM 569 C MET A 127 1.715 6.612 -4.016 1.00 0.00 C ATOM 570 O MET A 127 0.952 7.539 -4.187 1.00 0.00 O ATOM 571 CB MET A 127 2.028 5.508 -1.804 1.00 0.00 C ATOM 572 CG MET A 127 1.460 4.463 -0.840 1.00 0.00 C ATOM 573 SD MET A 127 -0.074 5.088 -0.110 1.00 0.00 S ATOM 574 CE MET A 127 -0.334 3.736 1.063 1.00 0.00 C ATOM 0 H MET A 127 2.256 3.497 -3.296 1.00 0.00 H new ATOM 0 HA MET A 127 0.237 5.420 -2.995 1.00 0.00 H new ATOM 0 HB2 MET A 127 3.098 5.349 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.903 6.507 -1.386 1.00 0.00 H new ATOM 0 HG2 MET A 127 1.270 3.529 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 127 2.185 4.243 -0.057 1.00 0.00 H new ATOM 0 HE1 MET A 127 -1.245 3.919 1.632 1.00 0.00 H new ATOM 0 HE2 MET A 127 -0.428 2.796 0.520 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.514 3.678 1.745 1.00 0.00 H new ATOM 584 N VAL A 128 2.899 6.599 -4.565 1.00 0.00 N ATOM 585 CA VAL A 128 3.325 7.743 -5.423 1.00 0.00 C ATOM 586 C VAL A 128 2.386 7.808 -6.626 1.00 0.00 C ATOM 587 O VAL A 128 1.989 8.868 -7.060 1.00 0.00 O ATOM 588 CB VAL A 128 4.771 7.512 -5.890 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.201 8.587 -6.907 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.701 7.569 -4.675 1.00 0.00 C ATOM 0 H VAL A 128 3.586 5.852 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 128 3.282 8.681 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 128 4.831 6.536 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.228 8.400 -7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.543 8.550 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.136 9.572 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.730 7.406 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.620 8.547 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.417 6.795 -3.962 1.00 0.00 H new ATOM 600 N ARG A 129 2.028 6.671 -7.158 1.00 0.00 N ATOM 601 CA ARG A 129 1.111 6.642 -8.331 1.00 0.00 C ATOM 602 C ARG A 129 -0.300 7.039 -7.899 1.00 0.00 C ATOM 603 O ARG A 129 -0.966 7.806 -8.564 1.00 0.00 O ATOM 604 CB ARG A 129 1.082 5.228 -8.916 1.00 0.00 C ATOM 605 CG ARG A 129 0.158 5.191 -10.138 1.00 0.00 C ATOM 606 CD ARG A 129 0.163 3.780 -10.734 1.00 0.00 C ATOM 607 NE ARG A 129 -0.841 2.942 -10.019 1.00 0.00 N ATOM 608 CZ ARG A 129 -1.176 1.781 -10.501 1.00 0.00 C ATOM 609 NH1 ARG A 129 -0.615 1.345 -11.595 1.00 0.00 N ATOM 610 NH2 ARG A 129 -2.071 1.054 -9.889 1.00 0.00 N ATOM 0 H ARG A 129 2.334 5.756 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 129 1.468 7.346 -9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.089 4.921 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.734 4.520 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -0.855 5.473 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.492 5.914 -10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -0.071 3.821 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.155 3.337 -10.643 1.00 0.00 H new ATOM 0 HE ARG A 129 -1.264 3.278 -9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.085 1.914 -12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.876 0.435 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.508 1.396 -9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.334 0.144 -10.267 1.00 0.00 H new ATOM 624 N THR A 130 -0.769 6.519 -6.797 1.00 0.00 N ATOM 625 CA THR A 130 -2.143 6.869 -6.348 1.00 0.00 C ATOM 626 C THR A 130 -2.115 8.197 -5.583 1.00 0.00 C ATOM 627 O THR A 130 -3.142 8.799 -5.348 1.00 0.00 O ATOM 628 CB THR A 130 -2.690 5.754 -5.452 1.00 0.00 C ATOM 629 OG1 THR A 130 -2.265 4.497 -5.962 1.00 0.00 O ATOM 630 CG2 THR A 130 -4.222 5.802 -5.434 1.00 0.00 C ATOM 0 H THR A 130 -0.263 5.871 -6.193 1.00 0.00 H new ATOM 0 HA THR A 130 -2.793 6.977 -7.217 1.00 0.00 H new ATOM 0 HB THR A 130 -2.316 5.890 -4.437 1.00 0.00 H new ATOM 0 HG1 THR A 130 -2.295 3.827 -5.247 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.603 5.006 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.551 6.767 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.602 5.668 -6.447 1.00 0.00 H new ATOM 638 N VAL A 131 -0.955 8.672 -5.208 1.00 0.00 N ATOM 639 CA VAL A 131 -0.890 9.976 -4.483 1.00 0.00 C ATOM 640 C VAL A 131 0.303 10.785 -5.003 1.00 0.00 C ATOM 641 O VAL A 131 1.320 10.905 -4.349 1.00 0.00 O ATOM 642 CB VAL A 131 -0.731 9.751 -2.976 1.00 0.00 C ATOM 643 CG1 VAL A 131 -0.897 11.093 -2.243 1.00 0.00 C ATOM 644 CG2 VAL A 131 -1.807 8.775 -2.482 1.00 0.00 C ATOM 0 H VAL A 131 -0.057 8.217 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 131 -1.818 10.520 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 131 0.257 9.336 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.785 10.938 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.137 11.793 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -1.887 11.500 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.691 8.617 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -2.795 9.190 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.701 7.823 -3.002 1.00 0.00 H new ATOM 654 N PRO A 132 0.161 11.347 -6.174 1.00 0.00 N ATOM 655 CA PRO A 132 1.219 12.178 -6.822 1.00 0.00 C ATOM 656 C PRO A 132 1.821 13.225 -5.879 1.00 0.00 C ATOM 657 O PRO A 132 2.946 13.656 -6.049 1.00 0.00 O ATOM 658 CB PRO A 132 0.467 12.873 -7.959 1.00 0.00 C ATOM 659 CG PRO A 132 -0.610 11.915 -8.329 1.00 0.00 C ATOM 660 CD PRO A 132 -1.037 11.240 -7.024 1.00 0.00 C ATOM 0 HA PRO A 132 2.064 11.569 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.055 13.829 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 132 1.125 13.078 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.449 12.432 -8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -0.249 11.180 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -1.894 11.741 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.324 10.201 -7.185 1.00 0.00 H new ATOM 668 N TYR A 133 1.075 13.641 -4.896 1.00 0.00 N ATOM 669 CA TYR A 133 1.583 14.673 -3.947 1.00 0.00 C ATOM 670 C TYR A 133 2.941 14.238 -3.391 1.00 0.00 C ATOM 671 O TYR A 133 3.702 15.040 -2.883 1.00 0.00 O ATOM 672 CB TYR A 133 0.573 14.815 -2.801 1.00 0.00 C ATOM 673 CG TYR A 133 0.816 16.097 -2.036 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.812 17.327 -2.703 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.046 16.050 -0.654 1.00 0.00 C ATOM 676 CE1 TYR A 133 1.035 18.510 -1.990 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.267 17.233 0.058 1.00 0.00 C ATOM 678 CZ TYR A 133 1.264 18.463 -0.610 1.00 0.00 C ATOM 679 OH TYR A 133 1.487 19.630 0.092 1.00 0.00 O ATOM 0 H TYR A 133 0.129 13.310 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 133 1.704 15.628 -4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.441 14.809 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.656 13.962 -2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 133 0.637 17.363 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.053 15.101 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 133 1.030 19.460 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.440 17.198 1.123 1.00 0.00 H new ATOM 0 HH TYR A 133 1.627 19.420 1.039 1.00 0.00 H new ATOM 689 N PHE A 134 3.247 12.975 -3.469 1.00 0.00 N ATOM 690 CA PHE A 134 4.546 12.479 -2.932 1.00 0.00 C ATOM 691 C PHE A 134 5.646 12.545 -4.001 1.00 0.00 C ATOM 692 O PHE A 134 6.806 12.334 -3.711 1.00 0.00 O ATOM 693 CB PHE A 134 4.361 11.029 -2.483 1.00 0.00 C ATOM 694 CG PHE A 134 3.816 11.010 -1.076 1.00 0.00 C ATOM 695 CD1 PHE A 134 2.486 11.379 -0.834 1.00 0.00 C ATOM 696 CD2 PHE A 134 4.639 10.623 -0.015 1.00 0.00 C ATOM 697 CE1 PHE A 134 1.983 11.361 0.471 1.00 0.00 C ATOM 698 CE2 PHE A 134 4.137 10.606 1.289 1.00 0.00 C ATOM 699 CZ PHE A 134 2.808 10.974 1.534 1.00 0.00 C ATOM 0 H PHE A 134 2.650 12.259 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 134 4.849 13.107 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.678 10.511 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 134 5.313 10.499 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 134 1.850 11.677 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 134 5.663 10.337 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.958 11.646 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.774 10.309 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 134 2.420 10.959 2.542 1.00 0.00 H new ATOM 709 N LYS A 135 5.307 12.839 -5.225 1.00 0.00 N ATOM 710 CA LYS A 135 6.355 12.901 -6.287 1.00 0.00 C ATOM 711 C LYS A 135 7.389 13.970 -5.933 1.00 0.00 C ATOM 712 O LYS A 135 8.562 13.838 -6.222 1.00 0.00 O ATOM 713 CB LYS A 135 5.709 13.276 -7.621 1.00 0.00 C ATOM 714 CG LYS A 135 4.807 12.136 -8.083 1.00 0.00 C ATOM 715 CD LYS A 135 3.894 12.615 -9.217 1.00 0.00 C ATOM 716 CE LYS A 135 4.642 12.543 -10.549 1.00 0.00 C ATOM 717 NZ LYS A 135 5.079 11.139 -10.789 1.00 0.00 N ATOM 0 H LYS A 135 4.356 13.038 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 135 6.838 11.927 -6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 135 5.129 14.193 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 135 6.478 13.472 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.414 11.297 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 135 4.205 11.776 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.997 11.998 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.568 13.638 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.997 12.880 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 135 5.506 13.208 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 5.096 10.951 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 6.032 11.000 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 4.415 10.485 -10.327 1.00 0.00 H new ATOM 731 N ASP A 136 6.955 15.038 -5.329 1.00 0.00 N ATOM 732 CA ASP A 136 7.896 16.140 -4.972 1.00 0.00 C ATOM 733 C ASP A 136 8.934 15.647 -3.956 1.00 0.00 C ATOM 734 O ASP A 136 10.089 16.034 -3.999 1.00 0.00 O ATOM 735 CB ASP A 136 7.093 17.299 -4.366 1.00 0.00 C ATOM 736 CG ASP A 136 6.021 17.763 -5.359 1.00 0.00 C ATOM 737 OD1 ASP A 136 6.278 17.706 -6.552 1.00 0.00 O ATOM 738 OD2 ASP A 136 4.961 18.168 -4.909 1.00 0.00 O ATOM 0 H ASP A 136 5.983 15.199 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 136 8.419 16.474 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.625 16.981 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.759 18.127 -4.123 1.00 0.00 H new ATOM 743 N LYS A 137 8.541 14.806 -3.037 1.00 0.00 N ATOM 744 CA LYS A 137 9.507 14.297 -2.018 1.00 0.00 C ATOM 745 C LYS A 137 10.414 13.223 -2.634 1.00 0.00 C ATOM 746 O LYS A 137 11.510 12.985 -2.166 1.00 0.00 O ATOM 747 CB LYS A 137 8.731 13.683 -0.853 1.00 0.00 C ATOM 748 CG LYS A 137 7.815 14.732 -0.223 1.00 0.00 C ATOM 749 CD LYS A 137 7.233 14.165 1.075 1.00 0.00 C ATOM 750 CE LYS A 137 6.176 15.117 1.633 1.00 0.00 C ATOM 751 NZ LYS A 137 5.981 14.833 3.084 1.00 0.00 N ATOM 0 H LYS A 137 7.590 14.448 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 137 10.121 15.126 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.140 12.837 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 137 9.425 13.299 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.373 15.646 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 137 7.013 14.995 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.791 13.186 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 137 8.028 14.021 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.489 16.151 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.236 14.992 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.262 15.478 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.665 13.850 3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.879 14.973 3.589 1.00 0.00 H new ATOM 765 N GLY A 138 9.961 12.562 -3.665 1.00 0.00 N ATOM 766 CA GLY A 138 10.795 11.492 -4.294 1.00 0.00 C ATOM 767 C GLY A 138 12.174 12.044 -4.659 1.00 0.00 C ATOM 768 O GLY A 138 13.167 11.347 -4.600 1.00 0.00 O ATOM 0 H GLY A 138 9.051 12.715 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.901 10.653 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.299 11.112 -5.187 1.00 0.00 H new ATOM 772 N ASP A 139 12.247 13.287 -5.038 1.00 0.00 N ATOM 773 CA ASP A 139 13.564 13.876 -5.408 1.00 0.00 C ATOM 774 C ASP A 139 14.349 14.246 -4.145 1.00 0.00 C ATOM 775 O ASP A 139 15.444 14.769 -4.221 1.00 0.00 O ATOM 776 CB ASP A 139 13.333 15.135 -6.244 1.00 0.00 C ATOM 777 CG ASP A 139 12.283 14.849 -7.319 1.00 0.00 C ATOM 778 OD1 ASP A 139 12.256 13.733 -7.810 1.00 0.00 O ATOM 779 OD2 ASP A 139 11.520 15.750 -7.632 1.00 0.00 O ATOM 0 H ASP A 139 11.452 13.922 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 139 14.135 13.146 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 139 13.001 15.953 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 139 14.267 15.452 -6.708 1.00 0.00 H new ATOM 784 N SER A 140 13.796 13.996 -2.982 1.00 0.00 N ATOM 785 CA SER A 140 14.509 14.360 -1.717 1.00 0.00 C ATOM 786 C SER A 140 14.609 13.154 -0.776 1.00 0.00 C ATOM 787 O SER A 140 13.850 12.208 -0.858 1.00 0.00 O ATOM 788 CB SER A 140 13.738 15.474 -1.016 1.00 0.00 C ATOM 789 OG SER A 140 14.500 15.949 0.089 1.00 0.00 O ATOM 0 H SER A 140 12.884 13.557 -2.854 1.00 0.00 H new ATOM 0 HA SER A 140 15.517 14.690 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.539 16.288 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.772 15.104 -0.674 1.00 0.00 H new ATOM 0 HG SER A 140 14.009 16.666 0.541 1.00 0.00 H new ATOM 795 N ASN A 141 15.556 13.204 0.123 1.00 0.00 N ATOM 796 CA ASN A 141 15.763 12.099 1.104 1.00 0.00 C ATOM 797 C ASN A 141 14.517 11.927 1.984 1.00 0.00 C ATOM 798 O ASN A 141 14.216 10.844 2.446 1.00 0.00 O ATOM 799 CB ASN A 141 16.952 12.470 1.990 1.00 0.00 C ATOM 800 CG ASN A 141 17.416 11.247 2.778 1.00 0.00 C ATOM 801 OD1 ASN A 141 17.186 10.122 2.375 1.00 0.00 O ATOM 802 ND2 ASN A 141 18.071 11.423 3.891 1.00 0.00 N ATOM 0 H ASN A 141 16.209 13.982 0.220 1.00 0.00 H new ATOM 0 HA ASN A 141 15.948 11.165 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 141 17.769 12.849 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 141 16.670 13.269 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 141 18.392 10.617 4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 141 18.262 12.367 4.226 1.00 0.00 H new ATOM 809 N SER A 142 13.804 12.989 2.228 1.00 0.00 N ATOM 810 CA SER A 142 12.585 12.909 3.090 1.00 0.00 C ATOM 811 C SER A 142 11.739 11.680 2.723 1.00 0.00 C ATOM 812 O SER A 142 10.843 11.300 3.450 1.00 0.00 O ATOM 813 CB SER A 142 11.756 14.180 2.895 1.00 0.00 C ATOM 814 OG SER A 142 12.597 15.317 3.062 1.00 0.00 O ATOM 0 H SER A 142 14.012 13.919 1.866 1.00 0.00 H new ATOM 0 HA SER A 142 12.891 12.816 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 142 11.307 14.187 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 142 10.938 14.209 3.615 1.00 0.00 H new ATOM 0 HG SER A 142 12.071 16.134 2.936 1.00 0.00 H new ATOM 820 N SER A 143 12.005 11.063 1.606 1.00 0.00 N ATOM 821 CA SER A 143 11.204 9.869 1.205 1.00 0.00 C ATOM 822 C SER A 143 11.329 8.773 2.267 1.00 0.00 C ATOM 823 O SER A 143 10.377 8.088 2.587 1.00 0.00 O ATOM 824 CB SER A 143 11.728 9.328 -0.126 1.00 0.00 C ATOM 825 OG SER A 143 10.873 8.287 -0.581 1.00 0.00 O ATOM 0 H SER A 143 12.741 11.332 0.953 1.00 0.00 H new ATOM 0 HA SER A 143 10.159 10.162 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.771 10.128 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.744 8.952 -0.004 1.00 0.00 H new ATOM 0 HG SER A 143 11.206 7.940 -1.435 1.00 0.00 H new ATOM 831 N ALA A 144 12.506 8.588 2.796 1.00 0.00 N ATOM 832 CA ALA A 144 12.725 7.522 3.818 1.00 0.00 C ATOM 833 C ALA A 144 11.873 7.757 5.075 1.00 0.00 C ATOM 834 O ALA A 144 11.753 6.888 5.914 1.00 0.00 O ATOM 835 CB ALA A 144 14.202 7.513 4.208 1.00 0.00 C ATOM 0 H ALA A 144 13.335 9.134 2.563 1.00 0.00 H new ATOM 0 HA ALA A 144 12.430 6.566 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.376 6.738 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.810 7.311 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 144 14.475 8.484 4.622 1.00 0.00 H new ATOM 841 N GLY A 145 11.303 8.917 5.236 1.00 0.00 N ATOM 842 CA GLY A 145 10.493 9.172 6.466 1.00 0.00 C ATOM 843 C GLY A 145 9.101 8.538 6.355 1.00 0.00 C ATOM 844 O GLY A 145 8.781 7.585 7.034 1.00 0.00 O ATOM 0 H GLY A 145 11.359 9.695 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 145 11.011 8.768 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 145 10.395 10.246 6.624 1.00 0.00 H new ATOM 848 N TRP A 146 8.259 9.078 5.524 1.00 0.00 N ATOM 849 CA TRP A 146 6.878 8.533 5.392 1.00 0.00 C ATOM 850 C TRP A 146 6.886 7.023 5.100 1.00 0.00 C ATOM 851 O TRP A 146 5.967 6.317 5.464 1.00 0.00 O ATOM 852 CB TRP A 146 6.160 9.271 4.265 1.00 0.00 C ATOM 853 CG TRP A 146 6.765 8.892 2.952 1.00 0.00 C ATOM 854 CD1 TRP A 146 8.023 9.193 2.562 1.00 0.00 C ATOM 855 CD2 TRP A 146 6.160 8.155 1.850 1.00 0.00 C ATOM 856 NE1 TRP A 146 8.231 8.686 1.290 1.00 0.00 N ATOM 857 CE2 TRP A 146 7.112 8.036 0.810 1.00 0.00 C ATOM 858 CE3 TRP A 146 4.889 7.581 1.655 1.00 0.00 C ATOM 859 CZ2 TRP A 146 6.814 7.375 -0.383 1.00 0.00 C ATOM 860 CZ3 TRP A 146 4.586 6.915 0.457 1.00 0.00 C ATOM 861 CH2 TRP A 146 5.546 6.810 -0.559 1.00 0.00 C ATOM 0 H TRP A 146 8.467 9.878 4.926 1.00 0.00 H new ATOM 0 HA TRP A 146 6.358 8.683 6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 146 5.099 9.023 4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 146 6.237 10.348 4.415 1.00 0.00 H new ATOM 0 HD1 TRP A 146 8.748 9.740 3.147 1.00 0.00 H new ATOM 0 HE1 TRP A 146 9.104 8.781 0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 146 4.143 7.654 2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 7.556 7.300 -1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 3.607 6.481 0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 146 5.307 6.293 -1.477 1.00 0.00 H new ATOM 872 N LYS A 147 7.890 6.514 4.436 1.00 0.00 N ATOM 873 CA LYS A 147 7.892 5.050 4.130 1.00 0.00 C ATOM 874 C LYS A 147 7.877 4.230 5.427 1.00 0.00 C ATOM 875 O LYS A 147 7.173 3.247 5.534 1.00 0.00 O ATOM 876 CB LYS A 147 9.127 4.692 3.296 1.00 0.00 C ATOM 877 CG LYS A 147 8.923 5.171 1.855 1.00 0.00 C ATOM 878 CD LYS A 147 10.014 4.570 0.966 1.00 0.00 C ATOM 879 CE LYS A 147 9.953 5.190 -0.436 1.00 0.00 C ATOM 880 NZ LYS A 147 8.943 4.473 -1.260 1.00 0.00 N ATOM 0 H LYS A 147 8.697 7.037 4.096 1.00 0.00 H new ATOM 0 HA LYS A 147 6.995 4.812 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 147 10.015 5.157 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.291 3.615 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 147 7.938 4.872 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 147 8.961 6.259 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.994 4.749 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 147 9.886 3.490 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 147 9.695 6.247 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.932 5.132 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 9.304 4.358 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 8.758 3.537 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 8.060 5.022 -1.283 1.00 0.00 H new ATOM 894 N ASN A 148 8.646 4.618 6.409 1.00 0.00 N ATOM 895 CA ASN A 148 8.665 3.849 7.687 1.00 0.00 C ATOM 896 C ASN A 148 7.278 3.865 8.341 1.00 0.00 C ATOM 897 O ASN A 148 6.847 2.889 8.924 1.00 0.00 O ATOM 898 CB ASN A 148 9.693 4.463 8.639 1.00 0.00 C ATOM 899 CG ASN A 148 9.286 5.893 8.994 1.00 0.00 C ATOM 900 OD1 ASN A 148 8.210 6.124 9.511 1.00 0.00 O ATOM 901 ND2 ASN A 148 10.110 6.872 8.740 1.00 0.00 N ATOM 0 H ASN A 148 9.260 5.432 6.382 1.00 0.00 H new ATOM 0 HA ASN A 148 8.938 2.816 7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 148 9.767 3.861 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 148 10.679 4.461 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 148 9.851 7.830 8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 148 11.013 6.679 8.306 1.00 0.00 H new ATOM 908 N SER A 149 6.577 4.966 8.260 1.00 0.00 N ATOM 909 CA SER A 149 5.224 5.039 8.887 1.00 0.00 C ATOM 910 C SER A 149 4.365 3.897 8.348 1.00 0.00 C ATOM 911 O SER A 149 3.690 3.198 9.078 1.00 0.00 O ATOM 912 CB SER A 149 4.572 6.374 8.529 1.00 0.00 C ATOM 913 OG SER A 149 4.113 6.329 7.184 1.00 0.00 O ATOM 0 H SER A 149 6.883 5.817 7.787 1.00 0.00 H new ATOM 0 HA SER A 149 5.313 4.956 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.739 6.577 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.288 7.186 8.654 1.00 0.00 H new ATOM 0 HG SER A 149 4.882 6.328 6.576 1.00 0.00 H new ATOM 919 N ILE A 150 4.411 3.700 7.068 1.00 0.00 N ATOM 920 CA ILE A 150 3.625 2.605 6.447 1.00 0.00 C ATOM 921 C ILE A 150 4.059 1.271 7.060 1.00 0.00 C ATOM 922 O ILE A 150 3.250 0.401 7.313 1.00 0.00 O ATOM 923 CB ILE A 150 3.901 2.590 4.940 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.452 3.923 4.323 1.00 0.00 C ATOM 925 CG2 ILE A 150 3.148 1.430 4.269 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.891 4.001 2.853 1.00 0.00 C ATOM 0 H ILE A 150 4.965 4.256 6.416 1.00 0.00 H new ATOM 0 HA ILE A 150 2.560 2.759 6.624 1.00 0.00 H new ATOM 0 HB ILE A 150 4.970 2.453 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 150 2.368 4.017 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.881 4.754 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.354 1.433 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.478 0.485 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.077 1.549 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 150 3.567 4.950 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 150 4.977 3.928 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.441 3.180 2.295 1.00 0.00 H new ATOM 938 N ARG A 151 5.335 1.095 7.272 1.00 0.00 N ATOM 939 CA ARG A 151 5.826 -0.184 7.848 1.00 0.00 C ATOM 940 C ARG A 151 5.118 -0.486 9.175 1.00 0.00 C ATOM 941 O ARG A 151 4.838 -1.626 9.485 1.00 0.00 O ATOM 942 CB ARG A 151 7.341 -0.115 8.063 1.00 0.00 C ATOM 943 CG ARG A 151 7.861 -1.511 8.407 1.00 0.00 C ATOM 944 CD ARG A 151 9.383 -1.483 8.539 1.00 0.00 C ATOM 945 NE ARG A 151 9.911 -2.880 8.435 1.00 0.00 N ATOM 946 CZ ARG A 151 9.453 -3.839 9.196 1.00 0.00 C ATOM 947 NH1 ARG A 151 8.657 -3.568 10.194 1.00 0.00 N ATOM 948 NH2 ARG A 151 9.826 -5.073 8.985 1.00 0.00 N ATOM 0 H ARG A 151 6.058 1.785 7.070 1.00 0.00 H new ATOM 0 HA ARG A 151 5.602 -0.988 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.832 0.258 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.575 0.582 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.413 -1.856 9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.568 -2.219 7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.816 -0.858 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 151 9.669 -1.043 9.494 1.00 0.00 H new ATOM 0 HE ARG A 151 10.643 -3.088 7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 151 8.388 -2.603 10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 151 8.304 -4.322 10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 151 10.474 -5.287 8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.469 -5.822 9.578 1.00 0.00 H new ATOM 962 N HIS A 152 4.828 0.513 9.969 1.00 0.00 N ATOM 963 CA HIS A 152 4.139 0.233 11.263 1.00 0.00 C ATOM 964 C HIS A 152 2.746 -0.333 10.981 1.00 0.00 C ATOM 965 O HIS A 152 2.278 -1.218 11.668 1.00 0.00 O ATOM 966 CB HIS A 152 4.032 1.523 12.102 1.00 0.00 C ATOM 967 CG HIS A 152 2.682 2.180 11.921 1.00 0.00 C ATOM 968 ND1 HIS A 152 1.484 1.513 12.161 1.00 0.00 N ATOM 969 CD2 HIS A 152 2.329 3.449 11.540 1.00 0.00 C ATOM 970 CE1 HIS A 152 0.481 2.381 11.921 1.00 0.00 C ATOM 971 NE2 HIS A 152 0.943 3.570 11.540 1.00 0.00 N ATOM 0 H HIS A 152 5.034 1.494 9.782 1.00 0.00 H new ATOM 0 HA HIS A 152 4.717 -0.497 11.829 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.188 1.289 13.155 1.00 0.00 H new ATOM 0 HB3 HIS A 152 4.820 2.217 11.809 1.00 0.00 H new ATOM 0 HD2 HIS A 152 3.022 4.235 11.279 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -0.567 2.142 12.025 1.00 0.00 H new ATOM 0 HE2 HIS A 152 0.396 4.396 11.299 1.00 0.00 H new ATOM 980 N ASN A 153 2.074 0.166 9.984 1.00 0.00 N ATOM 981 CA ASN A 153 0.709 -0.356 9.691 1.00 0.00 C ATOM 982 C ASN A 153 0.797 -1.824 9.276 1.00 0.00 C ATOM 983 O ASN A 153 -0.017 -2.636 9.666 1.00 0.00 O ATOM 984 CB ASN A 153 0.086 0.455 8.559 1.00 0.00 C ATOM 985 CG ASN A 153 -0.139 1.892 9.028 1.00 0.00 C ATOM 986 OD1 ASN A 153 -1.103 2.178 9.709 1.00 0.00 O ATOM 987 ND2 ASN A 153 0.724 2.811 8.696 1.00 0.00 N ATOM 0 H ASN A 153 2.405 0.905 9.364 1.00 0.00 H new ATOM 0 HA ASN A 153 0.091 -0.270 10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.739 0.444 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.860 0.008 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.590 3.773 9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 153 1.533 2.568 8.124 1.00 0.00 H new ATOM 994 N LEU A 154 1.769 -2.171 8.485 1.00 0.00 N ATOM 995 CA LEU A 154 1.900 -3.588 8.046 1.00 0.00 C ATOM 996 C LEU A 154 2.063 -4.499 9.266 1.00 0.00 C ATOM 997 O LEU A 154 1.507 -5.581 9.319 1.00 0.00 O ATOM 998 CB LEU A 154 3.119 -3.714 7.129 1.00 0.00 C ATOM 999 CG LEU A 154 2.945 -2.788 5.916 1.00 0.00 C ATOM 1000 CD1 LEU A 154 4.173 -2.888 5.008 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.704 -3.200 5.119 1.00 0.00 C ATOM 0 H LEU A 154 2.480 -1.536 8.122 1.00 0.00 H new ATOM 0 HA LEU A 154 1.004 -3.890 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.026 -3.451 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.234 -4.746 6.798 1.00 0.00 H new ATOM 0 HG LEU A 154 2.830 -1.764 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 154 4.045 -2.229 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 154 5.062 -2.590 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 154 4.288 -3.916 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.587 -2.539 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.818 -4.227 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.822 -3.127 5.756 1.00 0.00 H new ATOM 1013 N SER A 155 2.820 -4.084 10.244 1.00 0.00 N ATOM 1014 CA SER A 155 3.004 -4.939 11.451 1.00 0.00 C ATOM 1015 C SER A 155 1.804 -4.779 12.387 1.00 0.00 C ATOM 1016 O SER A 155 1.288 -5.744 12.921 1.00 0.00 O ATOM 1017 CB SER A 155 4.290 -4.525 12.173 1.00 0.00 C ATOM 1018 OG SER A 155 4.484 -3.126 12.024 1.00 0.00 O ATOM 0 H SER A 155 3.317 -3.194 10.260 1.00 0.00 H new ATOM 0 HA SER A 155 3.079 -5.984 11.150 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.227 -4.784 13.230 1.00 0.00 H new ATOM 0 HB3 SER A 155 5.142 -5.067 11.762 1.00 0.00 H new ATOM 0 HG SER A 155 3.619 -2.668 12.078 1.00 0.00 H new ATOM 1024 N LEU A 156 1.352 -3.574 12.599 1.00 0.00 N ATOM 1025 CA LEU A 156 0.189 -3.368 13.506 1.00 0.00 C ATOM 1026 C LEU A 156 -1.104 -3.712 12.765 1.00 0.00 C ATOM 1027 O LEU A 156 -1.140 -3.753 11.552 1.00 0.00 O ATOM 1028 CB LEU A 156 0.163 -1.914 13.976 1.00 0.00 C ATOM 1029 CG LEU A 156 1.524 -1.561 14.585 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.503 -0.111 15.086 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.828 -2.511 15.752 1.00 0.00 C ATOM 0 H LEU A 156 1.737 -2.725 12.184 1.00 0.00 H new ATOM 0 HA LEU A 156 0.279 -4.019 14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -0.058 -1.252 13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.627 -1.771 14.713 1.00 0.00 H new ATOM 0 HG LEU A 156 2.299 -1.667 13.826 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.472 0.138 15.519 1.00 0.00 H new ATOM 0 HD12 LEU A 156 1.295 0.559 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.727 0.001 15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.796 -2.258 16.184 1.00 0.00 H new ATOM 0 HD22 LEU A 156 1.054 -2.412 16.513 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.850 -3.538 15.389 1.00 0.00 H new ATOM 1043 N HIS A 157 -2.162 -3.976 13.486 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.448 -4.334 12.824 1.00 0.00 C ATOM 1045 C HIS A 157 -3.258 -5.612 12.016 1.00 0.00 C ATOM 1046 O HIS A 157 -2.829 -5.588 10.880 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.894 -3.200 11.899 1.00 0.00 C ATOM 1048 CG HIS A 157 -3.809 -1.907 12.653 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -4.604 -1.649 13.762 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -3.003 -0.808 12.502 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -4.258 -0.441 14.235 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -3.287 0.111 13.503 1.00 0.00 N ATOM 0 H HIS A 157 -2.190 -3.959 14.505 1.00 0.00 H new ATOM 0 HA HIS A 157 -4.214 -4.491 13.584 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -3.261 -3.163 11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -4.914 -3.371 11.555 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.263 -0.678 11.726 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -4.708 0.026 15.099 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -2.846 1.019 13.649 1.00 0.00 H new ATOM 1061 N SER A 158 -3.581 -6.735 12.595 1.00 0.00 N ATOM 1062 CA SER A 158 -3.423 -8.019 11.865 1.00 0.00 C ATOM 1063 C SER A 158 -4.233 -7.961 10.571 1.00 0.00 C ATOM 1064 O SER A 158 -4.353 -8.935 9.853 1.00 0.00 O ATOM 1065 CB SER A 158 -3.920 -9.167 12.744 1.00 0.00 C ATOM 1066 OG SER A 158 -5.317 -9.344 12.552 1.00 0.00 O ATOM 0 H SER A 158 -3.948 -6.817 13.543 1.00 0.00 H new ATOM 0 HA SER A 158 -2.373 -8.184 11.625 1.00 0.00 H new ATOM 0 HB2 SER A 158 -3.389 -10.086 12.494 1.00 0.00 H new ATOM 0 HB3 SER A 158 -3.711 -8.953 13.792 1.00 0.00 H new ATOM 0 HG SER A 158 -5.634 -10.081 13.115 1.00 0.00 H new ATOM 1072 N LYS A 159 -4.785 -6.818 10.259 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.575 -6.691 9.007 1.00 0.00 C ATOM 1074 C LYS A 159 -4.766 -7.259 7.844 1.00 0.00 C ATOM 1075 O LYS A 159 -5.315 -7.732 6.866 1.00 0.00 O ATOM 1076 CB LYS A 159 -5.888 -5.218 8.738 1.00 0.00 C ATOM 1077 CG LYS A 159 -6.808 -5.120 7.519 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.289 -3.676 7.341 1.00 0.00 C ATOM 1079 CE LYS A 159 -8.620 -3.671 6.586 1.00 0.00 C ATOM 1080 NZ LYS A 159 -9.722 -3.986 7.534 1.00 0.00 N ATOM 0 H LYS A 159 -4.721 -5.968 10.820 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.510 -7.242 9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.367 -4.770 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.967 -4.663 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.277 -5.448 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -7.663 -5.784 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -7.409 -3.199 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -6.545 -3.099 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -8.787 -2.697 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -8.597 -4.404 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -10.489 -4.472 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -9.363 -4.603 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -10.086 -3.104 7.949 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.462 -7.220 7.935 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.624 -7.765 6.829 1.00 0.00 C ATOM 1096 C PHE A 160 -2.045 -9.113 7.249 1.00 0.00 C ATOM 1097 O PHE A 160 -1.666 -9.312 8.386 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.465 -6.819 6.524 1.00 0.00 C ATOM 1099 CG PHE A 160 -1.985 -5.471 6.102 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.618 -5.335 4.865 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -1.818 -4.354 6.932 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.089 -4.083 4.452 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.288 -3.101 6.518 1.00 0.00 C ATOM 1104 CZ PHE A 160 -2.925 -2.968 5.279 1.00 0.00 C ATOM 0 H PHE A 160 -2.944 -6.835 8.725 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.249 -7.875 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -0.833 -6.712 7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.842 -7.239 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.744 -6.197 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.328 -4.459 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.579 -3.979 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.159 -2.238 7.155 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.290 -2.003 4.961 1.00 0.00 H new ATOM 1114 N ILE A 161 -1.961 -10.038 6.335 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.391 -11.371 6.670 1.00 0.00 C ATOM 1116 C ILE A 161 -0.043 -11.524 5.960 1.00 0.00 C ATOM 1117 O ILE A 161 0.144 -11.058 4.853 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.358 -12.462 6.208 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.560 -12.344 4.701 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.701 -12.281 6.915 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.672 -13.294 4.250 1.00 0.00 C ATOM 0 H ILE A 161 -2.264 -9.927 5.367 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.244 -11.461 7.746 1.00 0.00 H new ATOM 0 HB ILE A 161 -1.949 -13.443 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.818 -11.318 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.632 -12.583 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.392 -13.058 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.557 -12.354 7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.112 -11.302 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.812 -13.205 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.397 -14.319 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.600 -13.035 4.759 1.00 0.00 H new ATOM 1133 N LYS A 162 0.903 -12.159 6.596 1.00 0.00 N ATOM 1134 CA LYS A 162 2.243 -12.325 5.963 1.00 0.00 C ATOM 1135 C LYS A 162 2.220 -13.542 5.029 1.00 0.00 C ATOM 1136 O LYS A 162 1.547 -14.522 5.288 1.00 0.00 O ATOM 1137 CB LYS A 162 3.298 -12.532 7.055 1.00 0.00 C ATOM 1138 CG LYS A 162 4.679 -12.092 6.536 1.00 0.00 C ATOM 1139 CD LYS A 162 4.902 -10.607 6.860 1.00 0.00 C ATOM 1140 CE LYS A 162 6.312 -10.172 6.423 1.00 0.00 C ATOM 1141 NZ LYS A 162 6.914 -9.292 7.471 1.00 0.00 N ATOM 0 H LYS A 162 0.807 -12.570 7.525 1.00 0.00 H new ATOM 0 HA LYS A 162 2.489 -11.433 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.033 -11.958 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.328 -13.581 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.461 -12.696 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.743 -12.253 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.153 -10.000 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.777 -10.438 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.941 -11.048 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.261 -9.640 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.867 -8.999 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.318 -8.450 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.977 -9.814 8.368 1.00 0.00 H new ATOM 1155 N VAL A 163 2.942 -13.481 3.937 1.00 0.00 N ATOM 1156 CA VAL A 163 2.964 -14.622 2.966 1.00 0.00 C ATOM 1157 C VAL A 163 4.388 -15.170 2.833 1.00 0.00 C ATOM 1158 O VAL A 163 5.336 -14.421 2.698 1.00 0.00 O ATOM 1159 CB VAL A 163 2.514 -14.105 1.601 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.489 -15.252 0.579 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.118 -13.487 1.721 1.00 0.00 C ATOM 0 H VAL A 163 3.522 -12.684 3.674 1.00 0.00 H new ATOM 0 HA VAL A 163 2.303 -15.413 3.320 1.00 0.00 H new ATOM 0 HB VAL A 163 3.219 -13.347 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.167 -14.869 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.488 -15.679 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.795 -16.023 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.798 -13.119 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.415 -14.242 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.146 -12.660 2.430 1.00 0.00 H new ATOM 1171 N HIS A 164 4.551 -16.467 2.848 1.00 0.00 N ATOM 1172 CA HIS A 164 5.918 -17.047 2.703 1.00 0.00 C ATOM 1173 C HIS A 164 6.333 -16.977 1.235 1.00 0.00 C ATOM 1174 O HIS A 164 5.831 -17.706 0.403 1.00 0.00 O ATOM 1175 CB HIS A 164 5.909 -18.507 3.168 1.00 0.00 C ATOM 1176 CG HIS A 164 7.215 -19.179 2.828 1.00 0.00 C ATOM 1177 ND1 HIS A 164 8.422 -18.492 2.771 1.00 0.00 N ATOM 1178 CD2 HIS A 164 7.513 -20.486 2.530 1.00 0.00 C ATOM 1179 CE1 HIS A 164 9.380 -19.384 2.448 1.00 0.00 C ATOM 1180 NE2 HIS A 164 8.876 -20.611 2.291 1.00 0.00 N ATOM 0 H HIS A 164 3.799 -17.148 2.954 1.00 0.00 H new ATOM 0 HA HIS A 164 6.625 -16.484 3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 164 5.740 -18.551 4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.085 -19.040 2.694 1.00 0.00 H new ATOM 0 HD2 HIS A 164 6.797 -21.294 2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 164 10.425 -19.137 2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 164 9.385 -21.461 2.047 1.00 0.00 H new ATOM 1189 N ASN A 165 7.237 -16.097 0.908 1.00 0.00 N ATOM 1190 CA ASN A 165 7.672 -15.974 -0.512 1.00 0.00 C ATOM 1191 C ASN A 165 8.419 -17.234 -0.945 1.00 0.00 C ATOM 1192 O ASN A 165 9.331 -17.690 -0.279 1.00 0.00 O ATOM 1193 CB ASN A 165 8.594 -14.761 -0.680 1.00 0.00 C ATOM 1194 CG ASN A 165 8.507 -14.264 -2.124 1.00 0.00 C ATOM 1195 OD1 ASN A 165 7.949 -14.934 -2.973 1.00 0.00 O ATOM 1196 ND2 ASN A 165 9.033 -13.118 -2.447 1.00 0.00 N ATOM 0 H ASN A 165 7.693 -15.459 1.560 1.00 0.00 H new ATOM 0 HA ASN A 165 6.786 -15.845 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 165 8.302 -13.968 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 165 9.621 -15.033 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.977 -12.784 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 165 9.501 -12.554 -1.738 1.00 0.00 H new ATOM 1203 N GLU A 166 8.057 -17.790 -2.065 1.00 0.00 N ATOM 1204 CA GLU A 166 8.761 -19.000 -2.548 1.00 0.00 C ATOM 1205 C GLU A 166 10.158 -18.587 -3.014 1.00 0.00 C ATOM 1206 O GLU A 166 11.081 -19.376 -3.034 1.00 0.00 O ATOM 1207 CB GLU A 166 7.971 -19.629 -3.700 1.00 0.00 C ATOM 1208 CG GLU A 166 6.638 -20.161 -3.165 1.00 0.00 C ATOM 1209 CD GLU A 166 5.888 -20.888 -4.284 1.00 0.00 C ATOM 1210 OE1 GLU A 166 5.261 -20.216 -5.084 1.00 0.00 O ATOM 1211 OE2 GLU A 166 5.949 -22.108 -4.318 1.00 0.00 O ATOM 0 H GLU A 166 7.303 -17.456 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 166 8.846 -19.738 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.794 -18.890 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.545 -20.439 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 166 6.815 -20.840 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 166 6.034 -19.338 -2.783 1.00 0.00 H new ATOM 1218 N ALA A 167 10.321 -17.341 -3.373 1.00 0.00 N ATOM 1219 CA ALA A 167 11.660 -16.856 -3.820 1.00 0.00 C ATOM 1220 C ALA A 167 12.639 -16.910 -2.642 1.00 0.00 C ATOM 1221 O ALA A 167 13.512 -16.075 -2.509 1.00 0.00 O ATOM 1222 CB ALA A 167 11.547 -15.412 -4.324 1.00 0.00 C ATOM 0 H ALA A 167 9.583 -16.637 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 167 12.023 -17.491 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 167 12.527 -15.062 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.851 -15.373 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 167 11.183 -14.773 -3.519 1.00 0.00 H new ATOM 1271 N SER A 171 11.068 -11.402 -0.756 1.00 0.00 N ATOM 1272 CA SER A 171 10.143 -10.271 -0.489 1.00 0.00 C ATOM 1273 C SER A 171 8.796 -10.864 -0.074 1.00 0.00 C ATOM 1274 O SER A 171 8.058 -11.371 -0.894 1.00 0.00 O ATOM 1275 CB SER A 171 9.976 -9.430 -1.758 1.00 0.00 C ATOM 1276 OG SER A 171 8.934 -9.979 -2.557 1.00 0.00 O ATOM 0 HA SER A 171 10.536 -9.629 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 171 9.742 -8.398 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 171 10.909 -9.412 -2.321 1.00 0.00 H new ATOM 0 HG SER A 171 8.419 -10.621 -2.026 1.00 0.00 H new ATOM 1282 N SER A 172 8.480 -10.835 1.193 1.00 0.00 N ATOM 1283 CA SER A 172 7.189 -11.429 1.647 1.00 0.00 C ATOM 1284 C SER A 172 6.020 -10.661 1.024 1.00 0.00 C ATOM 1285 O SER A 172 6.043 -9.450 0.918 1.00 0.00 O ATOM 1286 CB SER A 172 7.101 -11.369 3.173 1.00 0.00 C ATOM 1287 OG SER A 172 8.414 -11.316 3.715 1.00 0.00 O ATOM 0 H SER A 172 9.056 -10.428 1.930 1.00 0.00 H new ATOM 0 HA SER A 172 7.140 -12.471 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 172 6.531 -10.493 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.573 -12.243 3.553 1.00 0.00 H new ATOM 0 HG SER A 172 8.372 -11.436 4.687 1.00 0.00 H new ATOM 1293 N TRP A 173 5.004 -11.361 0.601 1.00 0.00 N ATOM 1294 CA TRP A 173 3.835 -10.688 -0.029 1.00 0.00 C ATOM 1295 C TRP A 173 2.815 -10.267 1.035 1.00 0.00 C ATOM 1296 O TRP A 173 2.580 -10.970 1.999 1.00 0.00 O ATOM 1297 CB TRP A 173 3.176 -11.665 -0.998 1.00 0.00 C ATOM 1298 CG TRP A 173 4.223 -12.275 -1.868 1.00 0.00 C ATOM 1299 CD1 TRP A 173 5.074 -13.263 -1.506 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.543 -11.941 -3.235 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.892 -13.560 -2.584 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.601 -12.767 -3.676 1.00 0.00 C ATOM 1303 CE3 TRP A 173 4.012 -11.004 -4.124 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 6.112 -12.664 -4.970 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 4.519 -10.891 -5.427 1.00 0.00 C ATOM 1306 CH2 TRP A 173 5.572 -11.721 -5.850 1.00 0.00 C ATOM 0 H TRP A 173 4.934 -12.377 0.665 1.00 0.00 H new ATOM 0 HA TRP A 173 4.175 -9.796 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.647 -12.442 -0.446 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.436 -11.147 -1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 173 5.110 -13.740 -0.538 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.619 -14.276 -2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 173 3.205 -10.361 -3.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.918 -13.308 -5.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 4.099 -10.164 -6.107 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.963 -11.630 -6.853 1.00 0.00 H new ATOM 1317 N TRP A 174 2.194 -9.128 0.856 1.00 0.00 N ATOM 1318 CA TRP A 174 1.168 -8.659 1.835 1.00 0.00 C ATOM 1319 C TRP A 174 -0.228 -8.947 1.264 1.00 0.00 C ATOM 1320 O TRP A 174 -0.500 -8.674 0.106 1.00 0.00 O ATOM 1321 CB TRP A 174 1.328 -7.152 2.058 1.00 0.00 C ATOM 1322 CG TRP A 174 2.571 -6.882 2.851 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.722 -6.377 2.348 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.803 -7.082 4.276 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.643 -6.252 3.374 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.119 -6.668 4.582 1.00 0.00 C ATOM 1327 CE3 TRP A 174 2.000 -7.570 5.321 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.623 -6.741 5.884 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.501 -7.646 6.632 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.808 -7.228 6.915 1.00 0.00 C ATOM 0 H TRP A 174 2.355 -8.500 0.069 1.00 0.00 H new ATOM 0 HA TRP A 174 1.295 -9.179 2.785 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.379 -6.637 1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.458 -6.759 2.584 1.00 0.00 H new ATOM 0 HD1 TRP A 174 3.894 -6.114 1.315 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.591 -5.897 3.253 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.989 -7.889 5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.634 -6.424 6.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.875 -8.028 7.425 1.00 0.00 H new ATOM 0 HH2 TRP A 174 4.187 -7.281 7.925 1.00 0.00 H new ATOM 1341 N MET A 175 -1.107 -9.509 2.058 1.00 0.00 N ATOM 1342 CA MET A 175 -2.482 -9.832 1.556 1.00 0.00 C ATOM 1343 C MET A 175 -3.538 -9.446 2.601 1.00 0.00 C ATOM 1344 O MET A 175 -3.283 -9.434 3.786 1.00 0.00 O ATOM 1345 CB MET A 175 -2.582 -11.345 1.292 1.00 0.00 C ATOM 1346 CG MET A 175 -2.046 -11.684 -0.105 1.00 0.00 C ATOM 1347 SD MET A 175 -2.845 -13.196 -0.713 1.00 0.00 S ATOM 1348 CE MET A 175 -2.346 -14.307 0.627 1.00 0.00 C ATOM 0 H MET A 175 -0.933 -9.758 3.032 1.00 0.00 H new ATOM 0 HA MET A 175 -2.661 -9.271 0.639 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.016 -11.890 2.047 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.620 -11.667 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.239 -10.858 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 175 -0.965 -11.821 -0.068 1.00 0.00 H new ATOM 0 HE1 MET A 175 -2.028 -15.262 0.209 1.00 0.00 H new ATOM 0 HE2 MET A 175 -1.521 -13.861 1.181 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.189 -14.468 1.299 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.734 -9.154 2.160 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.821 -8.804 3.117 1.00 0.00 C ATOM 1360 C LEU A 176 -6.377 -10.108 3.697 1.00 0.00 C ATOM 1361 O LEU A 176 -6.296 -11.145 3.072 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.947 -8.066 2.381 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.372 -6.936 1.518 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.513 -6.209 0.788 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.622 -5.934 2.401 1.00 0.00 C ATOM 0 H LEU A 176 -5.004 -9.143 1.176 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.431 -8.161 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.500 -8.766 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.654 -7.657 3.102 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.684 -7.364 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -7.101 -5.407 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.045 -6.915 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -8.203 -5.789 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.217 -5.135 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -6.308 -5.511 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.807 -6.442 2.916 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.946 -10.084 4.870 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.497 -11.351 5.430 1.00 0.00 C ATOM 1379 C ASN A 177 -8.777 -11.719 4.661 1.00 0.00 C ATOM 1380 O ASN A 177 -9.625 -10.878 4.438 1.00 0.00 O ATOM 1381 CB ASN A 177 -7.821 -11.172 6.916 1.00 0.00 C ATOM 1382 CG ASN A 177 -7.977 -12.548 7.571 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -7.094 -13.002 8.274 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -9.064 -13.235 7.367 1.00 0.00 N ATOM 0 H ASN A 177 -7.053 -9.257 5.457 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.759 -12.147 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -7.027 -10.611 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.738 -10.595 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.175 -14.153 7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.805 -12.855 6.778 1.00 0.00 H new