USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 500 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 133 THR OG1 : rot -41:sc= 0.18 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.0577 K(o=0.12,f=-1) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 140 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.1) USER MOD Single : A 144 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.84) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ -158:sc= -0.0605 (180deg=-0.458) USER MOD Single : A 148 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.812 USER MOD Single : A 152 SER OG : rot -100:sc= 1.25 USER MOD Single : A 154 MET CE :methyl -159:sc= -1.31 (180deg=-2.55!) USER MOD Single : A 155 MET CE :methyl 180:sc=-0.00965 (180deg=-0.00965) USER MOD Single : A 156 LYS NZ :NH3+ 160:sc= -1.01 (180deg=-1.19) USER MOD Single : A 159 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.53) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 40:sc= -2.61 USER MOD Single : A 168 LYS NZ :NH3+ -141:sc= -0.574 (180deg=-1.66) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=-9e-05) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 180 THR OG1 : rot -35:sc= 1.21 USER MOD Single : A 185 MET CE :methyl -131:sc= -0.577 (180deg=-1.4) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 170:sc= -4.78! (180deg=-5.59!) USER MOD Single : A 190 THR OG1 : rot 48:sc= 0.966 USER MOD Single : A 192 MET CE :methyl -142:sc= -0.315 (180deg=-1.83!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.097 -1.244 -5.051 1.00 0.00 N ATOM 92 CA THR A 133 61.974 -0.999 -5.951 1.00 0.00 C ATOM 93 C THR A 133 61.305 -2.287 -6.397 1.00 0.00 C ATOM 94 O THR A 133 60.089 -2.346 -6.462 1.00 0.00 O ATOM 95 CB THR A 133 62.459 -0.209 -7.161 1.00 0.00 C ATOM 96 OG1 THR A 133 63.533 -0.902 -7.782 1.00 0.00 O ATOM 97 CG2 THR A 133 62.930 1.165 -6.690 1.00 0.00 C ATOM 0 HA THR A 133 61.226 -0.423 -5.406 1.00 0.00 H new ATOM 0 HB THR A 133 61.650 -0.094 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.125 -1.272 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.280 1.742 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.102 1.689 -6.213 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.744 1.045 -5.975 1.00 0.00 H new ATOM 105 N GLN A 134 62.089 -3.343 -6.597 1.00 0.00 N ATOM 106 CA GLN A 134 61.542 -4.608 -7.101 1.00 0.00 C ATOM 107 C GLN A 134 60.374 -5.102 -6.237 1.00 0.00 C ATOM 108 O GLN A 134 59.340 -5.514 -6.766 1.00 0.00 O ATOM 109 CB GLN A 134 62.638 -5.673 -7.143 1.00 0.00 C ATOM 110 CG GLN A 134 63.681 -5.293 -8.195 1.00 0.00 C ATOM 111 CD GLN A 134 64.801 -6.328 -8.221 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.167 -6.876 -7.181 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.370 -6.631 -9.356 1.00 0.00 N ATOM 0 H GLN A 134 63.094 -3.353 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 134 61.166 -4.429 -8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 134 63.110 -5.763 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.206 -6.645 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.212 -5.229 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.091 -4.308 -7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.065 -6.176 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.119 -7.323 -9.382 1.00 0.00 H new ATOM 122 N LEU A 135 60.512 -4.991 -4.916 1.00 0.00 N ATOM 123 CA LEU A 135 59.480 -5.489 -4.002 1.00 0.00 C ATOM 124 C LEU A 135 58.139 -4.781 -4.214 1.00 0.00 C ATOM 125 O LEU A 135 57.120 -5.431 -4.454 1.00 0.00 O ATOM 126 CB LEU A 135 59.931 -5.267 -2.562 1.00 0.00 C ATOM 127 CG LEU A 135 60.984 -6.302 -2.182 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.600 -5.912 -0.839 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.322 -7.676 -2.061 1.00 0.00 C ATOM 0 H LEU A 135 61.318 -4.566 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 135 59.341 -6.551 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 135 60.339 -4.262 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 135 59.077 -5.341 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 135 61.760 -6.341 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.355 -6.646 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 135 62.064 -4.929 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.822 -5.882 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 135 61.072 -8.419 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.550 -7.642 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.871 -7.948 -3.015 1.00 0.00 H new ATOM 141 N PHE A 136 58.147 -3.452 -4.120 1.00 0.00 N ATOM 142 CA PHE A 136 56.963 -2.657 -4.456 1.00 0.00 C ATOM 143 C PHE A 136 56.727 -2.446 -5.953 1.00 0.00 C ATOM 144 O PHE A 136 55.574 -2.340 -6.379 1.00 0.00 O ATOM 145 CB PHE A 136 56.837 -1.374 -3.612 1.00 0.00 C ATOM 146 CG PHE A 136 58.115 -0.755 -3.101 1.00 0.00 C ATOM 147 CD1 PHE A 136 59.052 -0.126 -3.948 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.339 -0.793 -1.705 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.219 0.459 -3.386 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.497 -0.211 -1.151 1.00 0.00 C ATOM 151 CZ PHE A 136 60.438 0.414 -1.989 1.00 0.00 C ATOM 0 H PHE A 136 58.953 -2.905 -3.817 1.00 0.00 H new ATOM 0 HA PHE A 136 56.123 -3.285 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.315 -0.627 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.202 -1.595 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.884 -0.089 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.618 -1.271 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.942 0.940 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.662 -0.245 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.327 0.859 -1.566 1.00 0.00 H new ATOM 161 N ALA A 137 57.780 -2.469 -6.763 1.00 0.00 N ATOM 162 CA ALA A 137 57.613 -2.331 -8.219 1.00 0.00 C ATOM 163 C ALA A 137 56.727 -3.453 -8.777 1.00 0.00 C ATOM 164 O ALA A 137 56.079 -3.284 -9.810 1.00 0.00 O ATOM 165 CB ALA A 137 58.967 -2.355 -8.929 1.00 0.00 C ATOM 0 H ALA A 137 58.745 -2.579 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 137 57.131 -1.371 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.816 -2.251 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.582 -1.531 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.469 -3.300 -8.723 1.00 0.00 H new ATOM 171 N ASP A 138 56.708 -4.603 -8.086 1.00 0.00 N ATOM 172 CA ASP A 138 55.780 -5.696 -8.418 1.00 0.00 C ATOM 173 C ASP A 138 54.353 -5.151 -8.608 1.00 0.00 C ATOM 174 O ASP A 138 53.901 -4.329 -7.809 1.00 0.00 O ATOM 175 CB ASP A 138 55.777 -6.724 -7.274 1.00 0.00 C ATOM 176 CG ASP A 138 55.489 -8.140 -7.781 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.486 -8.345 -8.984 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.275 -9.007 -6.950 1.00 0.00 O ATOM 0 H ASP A 138 57.322 -4.800 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 138 56.107 -6.166 -9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.743 -6.708 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.027 -6.443 -6.535 1.00 0.00 H new ATOM 183 N PRO A 139 53.634 -5.585 -9.627 1.00 0.00 N ATOM 184 CA PRO A 139 52.356 -4.916 -10.017 1.00 0.00 C ATOM 185 C PRO A 139 51.297 -5.040 -8.933 1.00 0.00 C ATOM 186 O PRO A 139 50.586 -6.040 -8.852 1.00 0.00 O ATOM 187 CB PRO A 139 51.917 -5.622 -11.304 1.00 0.00 C ATOM 188 CG PRO A 139 53.098 -6.415 -11.757 1.00 0.00 C ATOM 189 CD PRO A 139 53.919 -6.723 -10.514 1.00 0.00 C ATOM 0 HA PRO A 139 52.494 -3.845 -10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 139 51.059 -6.269 -11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 139 51.617 -4.900 -12.063 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.781 -7.334 -12.249 1.00 0.00 H new ATOM 0 HG3 PRO A 139 53.688 -5.852 -12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 139 53.623 -7.669 -10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 139 54.982 -6.798 -10.743 1.00 0.00 H new ATOM 197 N ASN A 140 51.275 -4.029 -8.063 1.00 0.00 N ATOM 198 CA ASN A 140 50.308 -3.923 -6.979 1.00 0.00 C ATOM 199 C ASN A 140 50.755 -4.765 -5.786 1.00 0.00 C ATOM 200 O ASN A 140 50.362 -5.923 -5.634 1.00 0.00 O ATOM 201 CB ASN A 140 48.916 -4.341 -7.441 1.00 0.00 C ATOM 202 CG ASN A 140 48.539 -3.581 -8.710 1.00 0.00 C ATOM 203 OD1 ASN A 140 48.978 -2.448 -8.914 1.00 0.00 O ATOM 204 ND2 ASN A 140 47.777 -4.153 -9.595 1.00 0.00 N ATOM 0 H ASN A 140 51.937 -3.254 -8.095 1.00 0.00 H new ATOM 0 HA ASN A 140 50.257 -2.879 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.893 -5.414 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 140 48.187 -4.139 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 140 47.542 -3.664 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 140 47.414 -5.091 -9.426 1.00 0.00 H new ATOM 211 N LEU A 141 51.593 -4.157 -4.948 1.00 0.00 N ATOM 212 CA LEU A 141 51.937 -4.732 -3.646 1.00 0.00 C ATOM 213 C LEU A 141 51.264 -3.918 -2.519 1.00 0.00 C ATOM 214 O LEU A 141 51.128 -4.405 -1.397 1.00 0.00 O ATOM 215 CB LEU A 141 53.478 -4.732 -3.470 1.00 0.00 C ATOM 216 CG LEU A 141 53.890 -5.080 -2.031 1.00 0.00 C ATOM 217 CD1 LEU A 141 53.516 -6.530 -1.730 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.401 -4.908 -1.881 1.00 0.00 C ATOM 0 H LEU A 141 52.047 -3.266 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 141 51.576 -5.759 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.922 -5.451 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.874 -3.751 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 141 53.374 -4.418 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 141 53.808 -6.777 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 141 52.439 -6.658 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.033 -7.191 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 141 55.696 -5.154 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 141 55.914 -5.572 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.673 -3.875 -2.098 1.00 0.00 H new ATOM 230 N ILE A 142 50.750 -2.721 -2.848 1.00 0.00 N ATOM 231 CA ILE A 142 50.220 -1.818 -1.831 1.00 0.00 C ATOM 232 C ILE A 142 49.025 -2.444 -1.101 1.00 0.00 C ATOM 233 O ILE A 142 48.803 -2.149 0.072 1.00 0.00 O ATOM 234 CB ILE A 142 49.852 -0.454 -2.471 1.00 0.00 C ATOM 235 CG1 ILE A 142 51.133 0.390 -2.642 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.863 0.326 -1.583 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.821 1.657 -3.449 1.00 0.00 C ATOM 0 H ILE A 142 50.694 -2.365 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 142 50.992 -1.644 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 142 49.384 -0.645 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.534 0.660 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.899 -0.195 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.622 1.278 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.951 -0.257 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.315 0.509 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.730 2.247 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.441 1.378 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 142 50.070 2.247 -2.924 1.00 0.00 H new ATOM 249 N GLU A 143 48.270 -3.324 -1.764 1.00 0.00 N ATOM 250 CA GLU A 143 47.069 -3.890 -1.136 1.00 0.00 C ATOM 251 C GLU A 143 47.445 -4.722 0.088 1.00 0.00 C ATOM 252 O GLU A 143 46.946 -4.495 1.192 1.00 0.00 O ATOM 253 CB GLU A 143 46.342 -4.786 -2.139 1.00 0.00 C ATOM 254 CG GLU A 143 45.749 -3.925 -3.253 1.00 0.00 C ATOM 255 CD GLU A 143 44.955 -4.797 -4.220 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.576 -5.495 -5.004 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.737 -4.754 -4.162 1.00 0.00 O ATOM 0 H GLU A 143 48.460 -3.654 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 143 46.422 -3.070 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.034 -5.517 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.552 -5.346 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.102 -3.159 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.546 -3.408 -3.787 1.00 0.00 H new ATOM 264 N ASN A 144 48.424 -5.605 -0.090 1.00 0.00 N ATOM 265 CA ASN A 144 48.994 -6.356 1.030 1.00 0.00 C ATOM 266 C ASN A 144 49.513 -5.403 2.113 1.00 0.00 C ATOM 267 O ASN A 144 49.410 -5.684 3.308 1.00 0.00 O ATOM 268 CB ASN A 144 50.138 -7.231 0.513 1.00 0.00 C ATOM 269 CG ASN A 144 49.624 -8.188 -0.563 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.461 -8.593 -0.532 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.409 -8.535 -1.548 1.00 0.00 N ATOM 0 H ASN A 144 48.840 -5.819 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 144 48.219 -6.982 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 144 50.930 -6.603 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.573 -7.797 1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.059 -9.141 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.372 -8.200 -1.575 1.00 0.00 H new ATOM 278 N LEU A 145 50.071 -4.282 1.669 1.00 0.00 N ATOM 279 CA LEU A 145 50.537 -3.243 2.583 1.00 0.00 C ATOM 280 C LEU A 145 49.386 -2.595 3.355 1.00 0.00 C ATOM 281 O LEU A 145 49.616 -1.967 4.384 1.00 0.00 O ATOM 282 CB LEU A 145 51.351 -2.183 1.833 1.00 0.00 C ATOM 283 CG LEU A 145 52.535 -2.847 1.112 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.391 -1.770 0.446 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.400 -3.634 2.112 1.00 0.00 C ATOM 0 H LEU A 145 50.212 -4.069 0.682 1.00 0.00 H new ATOM 0 HA LEU A 145 51.184 -3.727 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.717 -1.668 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.715 -1.430 2.532 1.00 0.00 H new ATOM 0 HG LEU A 145 52.148 -3.535 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.232 -2.238 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.787 -1.220 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.766 -1.082 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.234 -4.098 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.784 -2.955 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 145 52.795 -4.407 2.587 1.00 0.00 H new ATOM 297 N LYS A 146 48.179 -2.615 2.789 1.00 0.00 N ATOM 298 CA LYS A 146 47.010 -2.091 3.499 1.00 0.00 C ATOM 299 C LYS A 146 46.766 -2.851 4.808 1.00 0.00 C ATOM 300 O LYS A 146 46.558 -2.242 5.859 1.00 0.00 O ATOM 301 CB LYS A 146 45.750 -2.201 2.635 1.00 0.00 C ATOM 302 CG LYS A 146 45.929 -1.404 1.342 1.00 0.00 C ATOM 303 CD LYS A 146 44.586 -1.307 0.600 1.00 0.00 C ATOM 304 CE LYS A 146 44.103 -2.703 0.170 1.00 0.00 C ATOM 305 NZ LYS A 146 42.827 -3.021 0.872 1.00 0.00 N ATOM 0 H LYS A 146 47.985 -2.982 1.857 1.00 0.00 H new ATOM 0 HA LYS A 146 47.218 -1.044 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.549 -3.247 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.888 -1.826 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.303 -0.405 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.672 -1.886 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 146 43.841 -0.841 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.694 -0.668 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.955 -2.732 -0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.859 -3.451 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 42.498 -3.964 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.984 -3.009 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.108 -2.312 0.623 1.00 0.00 H new ATOM 319 N LYS A 147 46.741 -4.185 4.729 1.00 0.00 N ATOM 320 CA LYS A 147 46.176 -4.976 5.831 1.00 0.00 C ATOM 321 C LYS A 147 47.149 -5.255 6.996 1.00 0.00 C ATOM 322 O LYS A 147 46.761 -5.089 8.155 1.00 0.00 O ATOM 323 CB LYS A 147 45.665 -6.309 5.283 1.00 0.00 C ATOM 324 CG LYS A 147 44.523 -6.052 4.298 1.00 0.00 C ATOM 325 CD LYS A 147 43.849 -7.379 3.936 1.00 0.00 C ATOM 326 CE LYS A 147 44.782 -8.203 3.046 1.00 0.00 C ATOM 327 NZ LYS A 147 44.897 -7.553 1.710 1.00 0.00 N ATOM 0 H LYS A 147 47.093 -4.728 3.941 1.00 0.00 H new ATOM 0 HA LYS A 147 45.372 -4.369 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.474 -6.844 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.319 -6.942 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.795 -5.371 4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.906 -5.570 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 147 43.609 -7.935 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 147 42.908 -7.191 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 147 45.766 -8.284 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 147 44.397 -9.217 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 45.200 -8.257 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 43.974 -7.162 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 45.598 -6.786 1.756 1.00 0.00 H new ATOM 341 N ASN A 148 48.399 -5.665 6.716 1.00 0.00 N ATOM 342 CA ASN A 148 49.247 -6.175 7.819 1.00 0.00 C ATOM 343 C ASN A 148 50.333 -5.198 8.325 1.00 0.00 C ATOM 344 O ASN A 148 50.833 -5.383 9.437 1.00 0.00 O ATOM 345 CB ASN A 148 49.936 -7.459 7.336 1.00 0.00 C ATOM 346 CG ASN A 148 50.654 -8.156 8.491 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.021 -8.831 9.303 1.00 0.00 O ATOM 348 ND2 ASN A 148 51.949 -8.028 8.609 1.00 0.00 N ATOM 0 H ASN A 148 48.830 -5.658 5.792 1.00 0.00 H new ATOM 0 HA ASN A 148 48.578 -6.336 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.197 -8.132 6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.651 -7.220 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.439 -8.488 9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.470 -7.468 7.934 1.00 0.00 H new ATOM 355 N PRO A 149 50.711 -4.189 7.575 1.00 0.00 N ATOM 356 CA PRO A 149 51.756 -3.233 8.038 1.00 0.00 C ATOM 357 C PRO A 149 51.206 -1.855 8.398 1.00 0.00 C ATOM 358 O PRO A 149 50.247 -1.379 7.791 1.00 0.00 O ATOM 359 CB PRO A 149 52.698 -3.146 6.845 1.00 0.00 C ATOM 360 CG PRO A 149 51.841 -3.382 5.646 1.00 0.00 C ATOM 361 CD PRO A 149 50.546 -4.063 6.123 1.00 0.00 C ATOM 0 HA PRO A 149 52.231 -3.574 8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.182 -2.170 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.490 -3.891 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.616 -2.440 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.360 -4.011 4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.669 -3.466 5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.413 -5.037 5.653 1.00 0.00 H new ATOM 369 N LYS A 150 51.870 -1.196 9.352 1.00 0.00 N ATOM 370 CA LYS A 150 51.521 0.183 9.724 1.00 0.00 C ATOM 371 C LYS A 150 51.625 1.128 8.515 1.00 0.00 C ATOM 372 O LYS A 150 51.019 2.199 8.504 1.00 0.00 O ATOM 373 CB LYS A 150 52.455 0.690 10.830 1.00 0.00 C ATOM 374 CG LYS A 150 52.469 -0.291 12.006 1.00 0.00 C ATOM 375 CD LYS A 150 53.330 0.276 13.137 1.00 0.00 C ATOM 376 CE LYS A 150 52.560 1.375 13.872 1.00 0.00 C ATOM 377 NZ LYS A 150 51.679 0.759 14.904 1.00 0.00 N ATOM 0 H LYS A 150 52.649 -1.590 9.880 1.00 0.00 H new ATOM 0 HA LYS A 150 50.492 0.175 10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.464 0.810 10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 150 52.127 1.672 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.453 -0.464 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.863 -1.255 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 150 53.602 -0.518 13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 150 54.259 0.678 12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 150 53.256 2.070 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 150 51.963 1.950 13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 51.155 1.506 15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 51.006 0.112 14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 52.260 0.229 15.584 1.00 0.00 H new ATOM 391 N THR A 151 52.361 0.703 7.482 1.00 0.00 N ATOM 392 CA THR A 151 52.541 1.508 6.268 1.00 0.00 C ATOM 393 C THR A 151 51.185 1.865 5.621 1.00 0.00 C ATOM 394 O THR A 151 51.051 2.881 4.922 1.00 0.00 O ATOM 395 CB THR A 151 53.406 0.717 5.273 1.00 0.00 C ATOM 396 OG1 THR A 151 52.736 -0.483 4.919 1.00 0.00 O ATOM 397 CG2 THR A 151 54.755 0.377 5.918 1.00 0.00 C ATOM 0 H THR A 151 52.843 -0.196 7.462 1.00 0.00 H new ATOM 0 HA THR A 151 53.033 2.443 6.537 1.00 0.00 H new ATOM 0 HB THR A 151 53.575 1.320 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.383 -1.124 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.366 -0.184 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.270 1.298 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.590 -0.225 6.811 1.00 0.00 H new ATOM 405 N SER A 152 50.152 1.092 5.954 1.00 0.00 N ATOM 406 CA SER A 152 48.826 1.293 5.371 1.00 0.00 C ATOM 407 C SER A 152 48.237 2.662 5.711 1.00 0.00 C ATOM 408 O SER A 152 47.306 3.118 5.038 1.00 0.00 O ATOM 409 CB SER A 152 47.889 0.210 5.887 1.00 0.00 C ATOM 410 OG SER A 152 48.136 -0.007 7.269 1.00 0.00 O ATOM 0 H SER A 152 50.207 0.323 6.622 1.00 0.00 H new ATOM 0 HA SER A 152 48.932 1.240 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.852 0.508 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.041 -0.714 5.329 1.00 0.00 H new ATOM 0 HG SER A 152 48.699 -0.801 7.380 1.00 0.00 H new ATOM 416 N GLU A 153 48.800 3.349 6.707 1.00 0.00 N ATOM 417 CA GLU A 153 48.312 4.678 7.064 1.00 0.00 C ATOM 418 C GLU A 153 48.406 5.614 5.859 1.00 0.00 C ATOM 419 O GLU A 153 47.394 6.167 5.413 1.00 0.00 O ATOM 420 CB GLU A 153 49.135 5.239 8.225 1.00 0.00 C ATOM 421 CG GLU A 153 48.743 4.519 9.518 1.00 0.00 C ATOM 422 CD GLU A 153 49.363 5.220 10.725 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.505 5.642 10.626 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.685 5.325 11.735 1.00 0.00 O ATOM 0 H GLU A 153 49.581 3.013 7.271 1.00 0.00 H new ATOM 0 HA GLU A 153 47.269 4.601 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.199 5.106 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.961 6.310 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.658 4.501 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.077 3.482 9.480 1.00 0.00 H new ATOM 431 N MET A 154 49.578 5.632 5.217 1.00 0.00 N ATOM 432 CA MET A 154 49.801 6.551 4.106 1.00 0.00 C ATOM 433 C MET A 154 48.885 6.215 2.940 1.00 0.00 C ATOM 434 O MET A 154 48.576 7.084 2.124 1.00 0.00 O ATOM 435 CB MET A 154 51.241 6.495 3.607 1.00 0.00 C ATOM 436 CG MET A 154 52.199 6.889 4.727 1.00 0.00 C ATOM 437 SD MET A 154 53.882 7.007 4.062 1.00 0.00 S ATOM 438 CE MET A 154 54.021 5.306 3.457 1.00 0.00 C ATOM 0 H MET A 154 50.371 5.032 5.444 1.00 0.00 H new ATOM 0 HA MET A 154 49.588 7.552 4.481 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.474 5.490 3.256 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.366 7.166 2.758 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.899 7.844 5.159 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.163 6.151 5.528 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.073 5.043 3.349 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.548 4.627 4.167 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.525 5.222 2.490 1.00 0.00 H new ATOM 448 N MET A 155 48.515 4.937 2.801 1.00 0.00 N ATOM 449 CA MET A 155 47.687 4.524 1.670 1.00 0.00 C ATOM 450 C MET A 155 46.267 5.082 1.785 1.00 0.00 C ATOM 451 O MET A 155 45.678 5.502 0.787 1.00 0.00 O ATOM 452 CB MET A 155 47.623 2.992 1.594 1.00 0.00 C ATOM 453 CG MET A 155 49.041 2.396 1.545 1.00 0.00 C ATOM 454 SD MET A 155 49.895 2.925 0.034 1.00 0.00 S ATOM 455 CE MET A 155 51.566 2.447 0.539 1.00 0.00 C ATOM 0 H MET A 155 48.771 4.188 3.444 1.00 0.00 H new ATOM 0 HA MET A 155 48.144 4.921 0.764 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.087 2.601 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.064 2.689 0.709 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.607 2.714 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.987 1.308 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.270 2.687 -0.258 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.842 2.990 1.443 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.594 1.375 0.737 1.00 0.00 H new ATOM 465 N LYS A 156 45.724 5.088 3.004 1.00 0.00 N ATOM 466 CA LYS A 156 44.298 5.348 3.194 1.00 0.00 C ATOM 467 C LYS A 156 43.980 6.845 3.238 1.00 0.00 C ATOM 468 O LYS A 156 42.824 7.237 3.068 1.00 0.00 O ATOM 469 CB LYS A 156 43.840 4.700 4.499 1.00 0.00 C ATOM 470 CG LYS A 156 43.771 3.182 4.322 1.00 0.00 C ATOM 471 CD LYS A 156 43.178 2.548 5.582 1.00 0.00 C ATOM 472 CE LYS A 156 43.109 1.030 5.405 1.00 0.00 C ATOM 473 NZ LYS A 156 44.470 0.447 5.573 1.00 0.00 N ATOM 0 H LYS A 156 46.244 4.918 3.865 1.00 0.00 H new ATOM 0 HA LYS A 156 43.768 4.923 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.531 4.951 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.862 5.088 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.159 2.934 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.767 2.781 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.790 2.796 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.182 2.949 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 156 42.425 0.599 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 156 42.717 0.786 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 44.389 -0.567 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 45.011 0.570 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 44.961 0.930 6.352 1.00 0.00 H new ATOM 487 N ASP A 157 45.000 7.678 3.469 1.00 0.00 N ATOM 488 CA ASP A 157 44.789 9.130 3.488 1.00 0.00 C ATOM 489 C ASP A 157 45.651 9.854 2.438 1.00 0.00 C ATOM 490 O ASP A 157 45.147 10.219 1.376 1.00 0.00 O ATOM 491 CB ASP A 157 45.060 9.679 4.899 1.00 0.00 C ATOM 492 CG ASP A 157 43.747 9.914 5.644 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.112 8.939 6.007 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.399 11.067 5.839 1.00 0.00 O ATOM 0 H ASP A 157 45.960 7.381 3.642 1.00 0.00 H new ATOM 0 HA ASP A 157 43.749 9.322 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.680 8.976 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.618 10.613 4.831 1.00 0.00 H new ATOM 499 N PRO A 158 46.923 10.060 2.698 1.00 0.00 N ATOM 500 CA PRO A 158 47.711 11.128 2.000 1.00 0.00 C ATOM 501 C PRO A 158 47.873 10.906 0.493 1.00 0.00 C ATOM 502 O PRO A 158 47.910 9.775 0.011 1.00 0.00 O ATOM 503 CB PRO A 158 49.077 11.107 2.699 1.00 0.00 C ATOM 504 CG PRO A 158 49.177 9.757 3.315 1.00 0.00 C ATOM 505 CD PRO A 158 47.754 9.371 3.702 1.00 0.00 C ATOM 0 HA PRO A 158 47.194 12.085 2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.886 11.277 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.146 11.891 3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.600 9.038 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.829 9.773 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.609 8.291 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.512 9.695 4.714 1.00 0.00 H new ATOM 513 N GLN A 159 48.113 12.012 -0.218 1.00 0.00 N ATOM 514 CA GLN A 159 48.395 11.978 -1.659 1.00 0.00 C ATOM 515 C GLN A 159 49.654 11.156 -1.975 1.00 0.00 C ATOM 516 O GLN A 159 49.850 10.717 -3.114 1.00 0.00 O ATOM 517 CB GLN A 159 48.572 13.400 -2.192 1.00 0.00 C ATOM 518 CG GLN A 159 47.201 14.047 -2.405 1.00 0.00 C ATOM 519 CD GLN A 159 46.487 13.389 -3.583 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.079 13.210 -4.647 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.243 13.017 -3.454 1.00 0.00 N ATOM 0 H GLN A 159 48.118 12.950 0.184 1.00 0.00 H new ATOM 0 HA GLN A 159 47.546 11.500 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.158 13.992 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.125 13.380 -3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.599 13.946 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.319 15.114 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.755 13.167 -2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.759 12.577 -4.236 1.00 0.00 H new ATOM 530 N LEU A 160 50.479 10.906 -0.952 1.00 0.00 N ATOM 531 CA LEU A 160 51.798 10.314 -1.166 1.00 0.00 C ATOM 532 C LEU A 160 51.685 8.985 -1.927 1.00 0.00 C ATOM 533 O LEU A 160 52.633 8.563 -2.586 1.00 0.00 O ATOM 534 CB LEU A 160 52.482 10.069 0.182 1.00 0.00 C ATOM 535 CG LEU A 160 53.967 9.764 -0.038 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.691 11.030 -0.503 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.585 9.279 1.276 1.00 0.00 C ATOM 0 H LEU A 160 50.256 11.104 0.024 1.00 0.00 H new ATOM 0 HA LEU A 160 52.391 11.009 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.372 10.945 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.003 9.237 0.698 1.00 0.00 H new ATOM 0 HG LEU A 160 54.068 8.990 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.747 10.809 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.252 11.378 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.591 11.806 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.642 9.061 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.481 10.054 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.073 8.376 1.607 1.00 0.00 H new ATOM 549 N VAL A 161 50.512 8.339 -1.846 1.00 0.00 N ATOM 550 CA VAL A 161 50.282 7.070 -2.547 1.00 0.00 C ATOM 551 C VAL A 161 50.511 7.232 -4.048 1.00 0.00 C ATOM 552 O VAL A 161 51.356 6.556 -4.633 1.00 0.00 O ATOM 553 CB VAL A 161 48.839 6.583 -2.328 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.715 5.128 -2.794 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.460 6.665 -0.845 1.00 0.00 C ATOM 0 H VAL A 161 49.714 8.673 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 161 50.985 6.342 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 161 48.167 7.221 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.693 4.782 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.964 5.063 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.400 4.503 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.436 6.316 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.136 6.039 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.539 7.698 -0.506 1.00 0.00 H new ATOM 565 N ALA A 162 49.794 8.181 -4.656 1.00 0.00 N ATOM 566 CA ALA A 162 49.853 8.369 -6.107 1.00 0.00 C ATOM 567 C ALA A 162 51.287 8.668 -6.527 1.00 0.00 C ATOM 568 O ALA A 162 51.865 7.976 -7.370 1.00 0.00 O ATOM 569 CB ALA A 162 48.954 9.538 -6.513 1.00 0.00 C ATOM 0 H ALA A 162 49.171 8.826 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 162 49.511 7.459 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.001 9.675 -7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 162 47.926 9.326 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.294 10.447 -6.017 1.00 0.00 H new ATOM 575 N LYS A 163 51.907 9.588 -5.784 1.00 0.00 N ATOM 576 CA LYS A 163 53.278 10.004 -6.075 1.00 0.00 C ATOM 577 C LYS A 163 54.207 8.788 -6.112 1.00 0.00 C ATOM 578 O LYS A 163 54.814 8.492 -7.143 1.00 0.00 O ATOM 579 CB LYS A 163 53.764 10.988 -5.008 1.00 0.00 C ATOM 580 CG LYS A 163 52.877 12.237 -5.011 1.00 0.00 C ATOM 581 CD LYS A 163 53.131 13.046 -6.287 1.00 0.00 C ATOM 582 CE LYS A 163 52.382 14.376 -6.205 1.00 0.00 C ATOM 583 NZ LYS A 163 53.015 15.361 -7.128 1.00 0.00 N ATOM 0 H LYS A 163 51.484 10.055 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 163 53.293 10.492 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.739 10.515 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.800 11.266 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.827 11.950 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.089 12.848 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.199 13.225 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.799 12.483 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.335 14.233 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.402 14.754 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.506 16.266 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 54.008 15.505 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.974 15.000 -8.102 1.00 0.00 H new ATOM 597 N LEU A 164 54.143 7.977 -5.056 1.00 0.00 N ATOM 598 CA LEU A 164 55.011 6.809 -4.930 1.00 0.00 C ATOM 599 C LEU A 164 54.787 5.812 -6.066 1.00 0.00 C ATOM 600 O LEU A 164 55.735 5.204 -6.549 1.00 0.00 O ATOM 601 CB LEU A 164 54.748 6.114 -3.592 1.00 0.00 C ATOM 602 CG LEU A 164 55.378 6.923 -2.455 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.904 6.367 -1.111 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.904 6.815 -2.534 1.00 0.00 C ATOM 0 H LEU A 164 53.499 8.108 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 164 56.043 7.156 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.675 6.014 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.163 5.106 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 164 55.080 7.967 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.352 6.942 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.818 6.439 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.204 5.323 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.352 7.391 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.200 5.770 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.247 7.207 -3.491 1.00 0.00 H new ATOM 616 N ILE A 165 53.537 5.667 -6.505 1.00 0.00 N ATOM 617 CA ILE A 165 53.192 4.625 -7.474 1.00 0.00 C ATOM 618 C ILE A 165 53.929 4.855 -8.797 1.00 0.00 C ATOM 619 O ILE A 165 54.446 3.907 -9.398 1.00 0.00 O ATOM 620 CB ILE A 165 51.663 4.568 -7.663 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.056 3.970 -6.387 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.291 3.678 -8.861 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.533 4.111 -6.401 1.00 0.00 C ATOM 0 H ILE A 165 52.754 6.250 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 165 53.515 3.656 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 165 51.281 5.571 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.329 2.918 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.466 4.474 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.207 3.654 -8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.741 4.082 -9.768 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.661 2.667 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.119 3.682 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.266 5.166 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.127 3.586 -7.266 1.00 0.00 H new ATOM 635 N GLY A 166 54.070 6.117 -9.195 1.00 0.00 N ATOM 636 CA GLY A 166 54.883 6.435 -10.364 1.00 0.00 C ATOM 637 C GLY A 166 56.351 6.205 -10.029 1.00 0.00 C ATOM 638 O GLY A 166 57.090 5.554 -10.772 1.00 0.00 O ATOM 0 H GLY A 166 53.641 6.921 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.588 5.811 -11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.723 7.471 -10.662 1.00 0.00 H new ATOM 642 N TYR A 167 56.745 6.734 -8.872 1.00 0.00 N ATOM 643 CA TYR A 167 58.091 6.548 -8.339 1.00 0.00 C ATOM 644 C TYR A 167 58.421 5.070 -8.079 1.00 0.00 C ATOM 645 O TYR A 167 59.583 4.718 -7.879 1.00 0.00 O ATOM 646 CB TYR A 167 58.206 7.373 -7.049 1.00 0.00 C ATOM 647 CG TYR A 167 59.582 7.465 -6.448 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.593 8.208 -7.104 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.843 6.863 -5.195 1.00 0.00 C ATOM 650 CE1 TYR A 167 61.871 8.338 -6.513 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.119 6.990 -4.603 1.00 0.00 C ATOM 652 CZ TYR A 167 62.138 7.727 -5.263 1.00 0.00 C ATOM 653 OH TYR A 167 63.389 7.847 -4.687 1.00 0.00 O ATOM 0 H TYR A 167 56.140 7.303 -8.279 1.00 0.00 H new ATOM 0 HA TYR A 167 58.816 6.889 -9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 167 57.852 8.383 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.534 6.944 -6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.388 8.675 -8.056 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.067 6.306 -4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.643 8.903 -7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.320 6.527 -3.648 1.00 0.00 H new ATOM 0 HH TYR A 167 63.726 8.757 -4.823 1.00 0.00 H new ATOM 663 N LYS A 168 57.394 4.221 -8.019 1.00 0.00 N ATOM 664 CA LYS A 168 57.610 2.779 -7.887 1.00 0.00 C ATOM 665 C LYS A 168 58.032 2.142 -9.212 1.00 0.00 C ATOM 666 O LYS A 168 59.007 1.393 -9.267 1.00 0.00 O ATOM 667 CB LYS A 168 56.331 2.105 -7.386 1.00 0.00 C ATOM 668 CG LYS A 168 56.244 2.230 -5.857 1.00 0.00 C ATOM 669 CD LYS A 168 54.869 1.748 -5.359 1.00 0.00 C ATOM 670 CE LYS A 168 54.614 0.306 -5.819 1.00 0.00 C ATOM 671 NZ LYS A 168 53.866 -0.441 -4.767 1.00 0.00 N ATOM 0 H LYS A 168 56.414 4.502 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 168 58.417 2.633 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.459 2.568 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.325 1.054 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.034 1.641 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.403 3.267 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.828 1.803 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.086 2.403 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 168 54.046 0.308 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.562 -0.191 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.230 -1.413 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 53.990 0.033 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 52.855 -0.465 -5.010 1.00 0.00 H new ATOM 685 N GLN A 169 57.292 2.451 -10.275 1.00 0.00 N ATOM 686 CA GLN A 169 57.401 1.685 -11.519 1.00 0.00 C ATOM 687 C GLN A 169 58.703 1.987 -12.273 1.00 0.00 C ATOM 688 O GLN A 169 59.423 1.068 -12.671 1.00 0.00 O ATOM 689 CB GLN A 169 56.210 2.000 -12.424 1.00 0.00 C ATOM 690 CG GLN A 169 54.918 1.545 -11.744 1.00 0.00 C ATOM 691 CD GLN A 169 53.734 1.751 -12.683 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.518 0.954 -13.596 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.951 2.781 -12.515 1.00 0.00 N ATOM 0 H GLN A 169 56.618 3.216 -10.303 1.00 0.00 H new ATOM 0 HA GLN A 169 57.407 0.628 -11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.168 3.070 -12.629 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.325 1.496 -13.384 1.00 0.00 H new ATOM 0 HG2 GLN A 169 54.994 0.494 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.764 2.107 -10.823 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.131 3.441 -11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.159 2.927 -13.141 1.00 0.00 H new ATOM 702 N ASN A 170 58.999 3.272 -12.460 1.00 0.00 N ATOM 703 CA ASN A 170 60.082 3.676 -13.375 1.00 0.00 C ATOM 704 C ASN A 170 61.430 3.942 -12.672 1.00 0.00 C ATOM 705 O ASN A 170 62.477 3.567 -13.201 1.00 0.00 O ATOM 706 CB ASN A 170 59.660 4.936 -14.133 1.00 0.00 C ATOM 707 CG ASN A 170 60.520 5.108 -15.380 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.566 5.755 -15.330 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.141 4.562 -16.502 1.00 0.00 N ATOM 0 H ASN A 170 58.517 4.045 -12.002 1.00 0.00 H new ATOM 0 HA ASN A 170 60.242 2.836 -14.051 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.609 4.867 -14.413 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.761 5.809 -13.488 1.00 0.00 H new ATOM 0 HD21 ASN A 170 60.712 4.671 -17.340 1.00 0.00 H new ATOM 0 HD22 ASN A 170 59.274 4.026 -16.541 1.00 0.00 H new ATOM 716 N PRO A 171 61.439 4.558 -11.507 1.00 0.00 N ATOM 717 CA PRO A 171 62.688 5.131 -10.930 1.00 0.00 C ATOM 718 C PRO A 171 63.332 4.276 -9.839 1.00 0.00 C ATOM 719 O PRO A 171 62.977 4.371 -8.665 1.00 0.00 O ATOM 720 CB PRO A 171 62.260 6.486 -10.389 1.00 0.00 C ATOM 721 CG PRO A 171 60.819 6.348 -10.057 1.00 0.00 C ATOM 722 CD PRO A 171 60.279 5.104 -10.781 1.00 0.00 C ATOM 0 HA PRO A 171 63.466 5.190 -11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 171 62.841 6.757 -9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.418 7.271 -11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.684 6.250 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.270 7.237 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.877 4.378 -10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.471 5.364 -11.465 1.00 0.00 H new ATOM 730 N GLN A 172 64.334 3.479 -10.229 1.00 0.00 N ATOM 731 CA GLN A 172 65.182 2.754 -9.258 1.00 0.00 C ATOM 732 C GLN A 172 65.660 3.652 -8.087 1.00 0.00 C ATOM 733 O GLN A 172 66.100 3.149 -7.048 1.00 0.00 O ATOM 734 CB GLN A 172 66.405 2.169 -9.972 1.00 0.00 C ATOM 735 CG GLN A 172 65.952 1.186 -11.055 1.00 0.00 C ATOM 736 CD GLN A 172 65.370 -0.072 -10.415 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.860 -0.528 -9.383 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.348 -0.661 -10.973 1.00 0.00 N ATOM 0 H GLN A 172 64.582 3.316 -11.205 1.00 0.00 H new ATOM 0 HA GLN A 172 64.567 1.961 -8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 172 66.995 2.970 -10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.049 1.662 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.205 1.657 -11.694 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.796 0.922 -11.692 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.944 -0.280 -11.829 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.953 -1.502 -10.553 1.00 0.00 H new ATOM 747 N ALA A 173 65.496 4.973 -8.228 1.00 0.00 N ATOM 748 CA ALA A 173 66.004 5.931 -7.253 1.00 0.00 C ATOM 749 C ALA A 173 65.394 5.722 -5.854 1.00 0.00 C ATOM 750 O ALA A 173 65.869 6.316 -4.887 1.00 0.00 O ATOM 751 CB ALA A 173 65.663 7.343 -7.725 1.00 0.00 C ATOM 0 H ALA A 173 65.010 5.400 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 173 67.081 5.784 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.038 8.068 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.126 7.524 -8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.581 7.446 -7.814 1.00 0.00 H new ATOM 757 N ILE A 174 64.371 4.851 -5.731 1.00 0.00 N ATOM 758 CA ILE A 174 63.641 4.722 -4.463 1.00 0.00 C ATOM 759 C ILE A 174 64.594 4.364 -3.319 1.00 0.00 C ATOM 760 O ILE A 174 64.359 4.740 -2.171 1.00 0.00 O ATOM 761 CB ILE A 174 62.546 3.643 -4.563 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.670 3.907 -5.816 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.689 3.676 -3.283 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.410 3.019 -5.842 1.00 0.00 C ATOM 0 H ILE A 174 64.041 4.241 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 174 63.176 5.686 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 174 62.999 2.657 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.374 4.956 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.260 3.725 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.911 2.915 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.321 3.478 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.228 4.658 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.828 3.239 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.705 1.970 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.805 3.220 -4.958 1.00 0.00 H new ATOM 776 N GLY A 175 65.686 3.665 -3.647 1.00 0.00 N ATOM 777 CA GLY A 175 66.617 3.177 -2.629 1.00 0.00 C ATOM 778 C GLY A 175 67.140 4.318 -1.746 1.00 0.00 C ATOM 779 O GLY A 175 67.471 4.107 -0.578 1.00 0.00 O ATOM 0 H GLY A 175 65.944 3.426 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.119 2.434 -2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.456 2.677 -3.113 1.00 0.00 H new ATOM 783 N GLN A 176 67.208 5.524 -2.315 1.00 0.00 N ATOM 784 CA GLN A 176 67.731 6.681 -1.594 1.00 0.00 C ATOM 785 C GLN A 176 66.634 7.380 -0.794 1.00 0.00 C ATOM 786 O GLN A 176 66.888 7.917 0.286 1.00 0.00 O ATOM 787 CB GLN A 176 68.346 7.673 -2.584 1.00 0.00 C ATOM 788 CG GLN A 176 69.536 7.020 -3.289 1.00 0.00 C ATOM 789 CD GLN A 176 70.151 7.994 -4.289 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.436 8.773 -4.920 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.443 7.996 -4.473 1.00 0.00 N ATOM 0 H GLN A 176 66.908 5.722 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 176 68.492 6.327 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.600 7.981 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.669 8.573 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.284 6.720 -2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.212 6.115 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 176 72.034 7.350 -3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 176 71.862 8.644 -5.140 1.00 0.00 H new ATOM 800 N ASP A 177 65.416 7.365 -1.333 1.00 0.00 N ATOM 801 CA ASP A 177 64.321 8.113 -0.729 1.00 0.00 C ATOM 802 C ASP A 177 63.824 7.437 0.545 1.00 0.00 C ATOM 803 O ASP A 177 63.160 8.079 1.356 1.00 0.00 O ATOM 804 CB ASP A 177 63.160 8.308 -1.719 1.00 0.00 C ATOM 805 CG ASP A 177 63.334 9.609 -2.520 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.206 10.397 -2.181 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.568 9.813 -3.446 1.00 0.00 O ATOM 0 H ASP A 177 65.167 6.849 -2.177 1.00 0.00 H new ATOM 0 HA ASP A 177 64.711 9.096 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.113 7.460 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.215 8.334 -1.177 1.00 0.00 H new ATOM 812 N LEU A 178 64.113 6.140 0.722 1.00 0.00 N ATOM 813 CA LEU A 178 63.756 5.458 1.972 1.00 0.00 C ATOM 814 C LEU A 178 64.334 6.226 3.172 1.00 0.00 C ATOM 815 O LEU A 178 63.636 6.513 4.143 1.00 0.00 O ATOM 816 CB LEU A 178 64.310 4.022 1.999 1.00 0.00 C ATOM 817 CG LEU A 178 63.961 3.235 0.728 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.676 1.885 0.779 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.452 2.985 0.653 1.00 0.00 C ATOM 0 H LEU A 178 64.582 5.554 0.032 1.00 0.00 H new ATOM 0 HA LEU A 178 62.668 5.423 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.393 4.056 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.912 3.498 2.868 1.00 0.00 H new ATOM 0 HG LEU A 178 64.273 3.809 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.438 1.313 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.753 2.045 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.348 1.332 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.220 2.426 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.134 2.412 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.926 3.939 0.635 1.00 0.00 H new ATOM 831 N PHE A 179 65.627 6.545 3.075 1.00 0.00 N ATOM 832 CA PHE A 179 66.313 7.347 4.090 1.00 0.00 C ATOM 833 C PHE A 179 65.532 8.623 4.431 1.00 0.00 C ATOM 834 O PHE A 179 65.551 9.085 5.573 1.00 0.00 O ATOM 835 CB PHE A 179 67.705 7.720 3.582 1.00 0.00 C ATOM 836 CG PHE A 179 68.651 6.546 3.503 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.351 6.121 4.659 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.837 5.868 2.274 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.238 5.019 4.585 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.724 4.766 2.200 1.00 0.00 C ATOM 841 CZ PHE A 179 70.424 4.342 3.356 1.00 0.00 C ATOM 0 H PHE A 179 66.223 6.258 2.298 1.00 0.00 H new ATOM 0 HA PHE A 179 66.388 6.750 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.614 8.170 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.132 8.477 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.208 6.637 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.303 6.191 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.772 4.695 5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.866 4.249 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.100 3.502 3.300 1.00 0.00 H new ATOM 851 N THR A 180 64.852 9.184 3.431 1.00 0.00 N ATOM 852 CA THR A 180 64.047 10.394 3.636 1.00 0.00 C ATOM 853 C THR A 180 62.604 10.041 4.030 1.00 0.00 C ATOM 854 O THR A 180 61.918 10.830 4.683 1.00 0.00 O ATOM 855 CB THR A 180 64.037 11.249 2.360 1.00 0.00 C ATOM 856 OG1 THR A 180 63.259 10.604 1.362 1.00 0.00 O ATOM 857 CG2 THR A 180 65.467 11.442 1.848 1.00 0.00 C ATOM 0 H THR A 180 64.840 8.825 2.476 1.00 0.00 H new ATOM 0 HA THR A 180 64.499 10.961 4.450 1.00 0.00 H new ATOM 0 HB THR A 180 63.604 12.223 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.365 9.633 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.451 12.049 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.062 11.944 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.908 10.470 1.625 1.00 0.00 H new ATOM 865 N ASP A 181 62.156 8.850 3.626 1.00 0.00 N ATOM 866 CA ASP A 181 60.785 8.414 3.888 1.00 0.00 C ATOM 867 C ASP A 181 60.760 7.315 4.957 1.00 0.00 C ATOM 868 O ASP A 181 61.187 6.190 4.693 1.00 0.00 O ATOM 869 CB ASP A 181 60.149 7.887 2.598 1.00 0.00 C ATOM 870 CG ASP A 181 58.631 8.093 2.616 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.101 8.449 3.659 1.00 0.00 O ATOM 872 OD2 ASP A 181 58.018 7.896 1.580 1.00 0.00 O ATOM 0 H ASP A 181 62.723 8.172 3.117 1.00 0.00 H new ATOM 0 HA ASP A 181 60.217 9.270 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.580 8.401 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.375 6.827 2.482 1.00 0.00 H new ATOM 877 N PRO A 182 60.231 7.594 6.133 1.00 0.00 N ATOM 878 CA PRO A 182 60.294 6.620 7.266 1.00 0.00 C ATOM 879 C PRO A 182 59.458 5.366 7.002 1.00 0.00 C ATOM 880 O PRO A 182 59.955 4.246 7.134 1.00 0.00 O ATOM 881 CB PRO A 182 59.746 7.402 8.464 1.00 0.00 C ATOM 882 CG PRO A 182 58.884 8.466 7.880 1.00 0.00 C ATOM 883 CD PRO A 182 59.485 8.811 6.520 1.00 0.00 C ATOM 0 HA PRO A 182 61.308 6.253 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 182 59.174 6.754 9.128 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.554 7.832 9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.857 8.118 7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.858 9.343 8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.710 9.052 5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.143 9.678 6.584 1.00 0.00 H new ATOM 891 N ARG A 183 58.194 5.561 6.626 1.00 0.00 N ATOM 892 CA ARG A 183 57.261 4.438 6.498 1.00 0.00 C ATOM 893 C ARG A 183 57.659 3.501 5.359 1.00 0.00 C ATOM 894 O ARG A 183 57.528 2.286 5.491 1.00 0.00 O ATOM 895 CB ARG A 183 55.830 4.937 6.274 1.00 0.00 C ATOM 896 CG ARG A 183 55.421 5.846 7.437 1.00 0.00 C ATOM 897 CD ARG A 183 53.930 6.172 7.334 1.00 0.00 C ATOM 898 NE ARG A 183 53.346 6.338 8.665 1.00 0.00 N ATOM 899 CZ ARG A 183 53.621 7.392 9.447 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.454 8.330 9.063 1.00 0.00 N ATOM 901 NH2 ARG A 183 53.043 7.487 10.612 1.00 0.00 N ATOM 0 H ARG A 183 57.795 6.474 6.407 1.00 0.00 H new ATOM 0 HA ARG A 183 57.304 3.881 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.766 5.482 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.146 4.092 6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.631 5.355 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 183 56.007 6.765 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.791 7.084 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.414 5.373 6.801 1.00 0.00 H new ATOM 0 HE ARG A 183 52.705 5.624 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.908 8.267 8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.647 9.122 9.676 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.391 6.765 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.243 8.283 11.217 1.00 0.00 H new ATOM 915 N LEU A 184 58.189 4.057 4.259 1.00 0.00 N ATOM 916 CA LEU A 184 58.607 3.234 3.108 1.00 0.00 C ATOM 917 C LEU A 184 59.500 2.076 3.567 1.00 0.00 C ATOM 918 O LEU A 184 59.408 0.960 3.052 1.00 0.00 O ATOM 919 CB LEU A 184 59.373 4.084 2.080 1.00 0.00 C ATOM 920 CG LEU A 184 58.398 4.740 1.092 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.167 5.710 0.187 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.738 3.665 0.222 1.00 0.00 C ATOM 0 H LEU A 184 58.338 5.059 4.140 1.00 0.00 H new ATOM 0 HA LEU A 184 57.706 2.833 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.952 4.852 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.083 3.459 1.539 1.00 0.00 H new ATOM 0 HG LEU A 184 57.632 5.278 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.477 6.177 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.640 6.480 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.932 5.164 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.047 4.136 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.505 3.125 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.192 2.968 0.857 1.00 0.00 H new ATOM 934 N MET A 185 60.327 2.340 4.571 1.00 0.00 N ATOM 935 CA MET A 185 61.211 1.311 5.101 1.00 0.00 C ATOM 936 C MET A 185 60.416 0.231 5.837 1.00 0.00 C ATOM 937 O MET A 185 60.696 -0.952 5.693 1.00 0.00 O ATOM 938 CB MET A 185 62.242 1.932 6.035 1.00 0.00 C ATOM 939 CG MET A 185 63.265 2.705 5.209 1.00 0.00 C ATOM 940 SD MET A 185 64.420 3.553 6.317 1.00 0.00 S ATOM 941 CE MET A 185 65.826 3.617 5.180 1.00 0.00 C ATOM 0 H MET A 185 60.404 3.248 5.030 1.00 0.00 H new ATOM 0 HA MET A 185 61.727 0.843 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.752 2.598 6.745 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.738 1.155 6.616 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.807 2.024 4.553 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.760 3.429 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.722 3.260 5.688 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.624 2.985 4.315 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.981 4.644 4.851 1.00 0.00 H new ATOM 951 N THR A 186 59.363 0.623 6.550 1.00 0.00 N ATOM 952 CA THR A 186 58.537 -0.355 7.269 1.00 0.00 C ATOM 953 C THR A 186 57.896 -1.335 6.277 1.00 0.00 C ATOM 954 O THR A 186 57.762 -2.529 6.558 1.00 0.00 O ATOM 955 CB THR A 186 57.451 0.372 8.075 1.00 0.00 C ATOM 956 OG1 THR A 186 58.058 1.365 8.890 1.00 0.00 O ATOM 957 CG2 THR A 186 56.694 -0.621 8.966 1.00 0.00 C ATOM 0 H THR A 186 59.062 1.593 6.648 1.00 0.00 H new ATOM 0 HA THR A 186 59.169 -0.918 7.956 1.00 0.00 H new ATOM 0 HB THR A 186 56.747 0.835 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.368 1.833 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.927 -0.091 9.531 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.225 -1.383 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.391 -1.095 9.657 1.00 0.00 H new ATOM 965 N ILE A 187 57.527 -0.815 5.103 1.00 0.00 N ATOM 966 CA ILE A 187 57.081 -1.662 3.990 1.00 0.00 C ATOM 967 C ILE A 187 58.158 -2.705 3.662 1.00 0.00 C ATOM 968 O ILE A 187 57.861 -3.882 3.453 1.00 0.00 O ATOM 969 CB ILE A 187 56.806 -0.809 2.734 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.803 0.312 3.056 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.224 -1.701 1.636 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.662 1.248 1.850 1.00 0.00 C ATOM 0 H ILE A 187 57.528 0.184 4.898 1.00 0.00 H new ATOM 0 HA ILE A 187 56.161 -2.163 4.290 1.00 0.00 H new ATOM 0 HB ILE A 187 57.742 -0.363 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.834 -0.117 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.140 0.875 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.028 -1.102 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.936 -2.490 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.293 -2.147 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.950 2.039 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.631 1.689 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.304 0.682 0.990 1.00 0.00 H new ATOM 984 N MET A 188 59.411 -2.256 3.664 1.00 0.00 N ATOM 985 CA MET A 188 60.538 -3.145 3.398 1.00 0.00 C ATOM 986 C MET A 188 60.596 -4.267 4.433 1.00 0.00 C ATOM 987 O MET A 188 60.904 -5.409 4.103 1.00 0.00 O ATOM 988 CB MET A 188 61.853 -2.364 3.422 1.00 0.00 C ATOM 989 CG MET A 188 62.065 -1.679 2.079 1.00 0.00 C ATOM 990 SD MET A 188 62.546 -2.924 0.867 1.00 0.00 S ATOM 991 CE MET A 188 61.559 -2.293 -0.502 1.00 0.00 C ATOM 0 H MET A 188 59.670 -1.286 3.846 1.00 0.00 H new ATOM 0 HA MET A 188 60.396 -3.580 2.409 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.833 -1.622 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.684 -3.037 3.633 1.00 0.00 H new ATOM 0 HG2 MET A 188 61.151 -1.176 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 188 62.837 -0.914 2.162 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.837 -2.811 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 188 60.502 -2.461 -0.296 1.00 0.00 H new ATOM 0 HE3 MET A 188 61.740 -1.225 -0.619 1.00 0.00 H new ATOM 1001 N ALA A 189 60.293 -3.928 5.684 1.00 0.00 N ATOM 1002 CA ALA A 189 60.291 -4.909 6.774 1.00 0.00 C ATOM 1003 C ALA A 189 59.349 -6.087 6.486 1.00 0.00 C ATOM 1004 O ALA A 189 59.775 -7.241 6.495 1.00 0.00 O ATOM 1005 CB ALA A 189 59.870 -4.217 8.073 1.00 0.00 C ATOM 0 H ALA A 189 60.045 -2.981 5.971 1.00 0.00 H new ATOM 0 HA ALA A 189 61.300 -5.311 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 189 59.867 -4.942 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.573 -3.416 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 189 58.870 -3.799 7.955 1.00 0.00 H new ATOM 1011 N THR A 190 58.081 -5.789 6.188 1.00 0.00 N ATOM 1012 CA THR A 190 57.098 -6.842 5.869 1.00 0.00 C ATOM 1013 C THR A 190 57.599 -7.737 4.724 1.00 0.00 C ATOM 1014 O THR A 190 57.587 -8.964 4.830 1.00 0.00 O ATOM 1015 CB THR A 190 55.759 -6.204 5.452 1.00 0.00 C ATOM 1016 OG1 THR A 190 56.003 -4.946 4.838 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.854 -6.009 6.671 1.00 0.00 C ATOM 0 H THR A 190 57.709 -4.840 6.160 1.00 0.00 H new ATOM 0 HA THR A 190 56.960 -7.452 6.762 1.00 0.00 H new ATOM 0 HB THR A 190 55.260 -6.869 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.710 -5.042 4.166 1.00 0.00 H new ATOM 0 HG21 THR A 190 53.913 -5.557 6.357 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.656 -6.975 7.135 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.348 -5.356 7.390 1.00 0.00 H new ATOM 1025 N LEU A 191 58.036 -7.103 3.639 1.00 0.00 N ATOM 1026 CA LEU A 191 58.518 -7.833 2.460 1.00 0.00 C ATOM 1027 C LEU A 191 59.698 -8.746 2.813 1.00 0.00 C ATOM 1028 O LEU A 191 59.663 -9.952 2.560 1.00 0.00 O ATOM 1029 CB LEU A 191 58.962 -6.841 1.385 1.00 0.00 C ATOM 1030 CG LEU A 191 57.742 -6.123 0.796 1.00 0.00 C ATOM 1031 CD1 LEU A 191 58.153 -4.715 0.344 1.00 0.00 C ATOM 1032 CD2 LEU A 191 57.198 -6.923 -0.400 1.00 0.00 C ATOM 0 H LEU A 191 58.068 -6.088 3.547 1.00 0.00 H new ATOM 0 HA LEU A 191 57.699 -8.450 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.651 -6.113 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.502 -7.365 0.596 1.00 0.00 H new ATOM 0 HG LEU A 191 56.961 -6.045 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 191 57.288 -4.201 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.529 -4.154 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.934 -4.789 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 191 56.331 -6.410 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.971 -7.007 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.906 -7.919 -0.069 1.00 0.00 H new ATOM 1044 N MET A 192 60.732 -8.154 3.399 1.00 0.00 N ATOM 1045 CA MET A 192 61.977 -8.866 3.680 1.00 0.00 C ATOM 1046 C MET A 192 61.831 -9.865 4.826 1.00 0.00 C ATOM 1047 O MET A 192 62.536 -10.874 4.867 1.00 0.00 O ATOM 1048 CB MET A 192 63.063 -7.861 4.035 1.00 0.00 C ATOM 1049 CG MET A 192 63.540 -7.157 2.763 1.00 0.00 C ATOM 1050 SD MET A 192 64.748 -8.198 1.907 1.00 0.00 S ATOM 1051 CE MET A 192 66.051 -8.112 3.160 1.00 0.00 C ATOM 0 H MET A 192 60.734 -7.177 3.691 1.00 0.00 H new ATOM 0 HA MET A 192 62.242 -9.425 2.783 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.679 -7.130 4.746 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.898 -8.367 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.692 -6.953 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.987 -6.195 3.014 1.00 0.00 H new ATOM 0 HE1 MET A 192 67.023 -8.057 2.671 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.905 -7.225 3.777 1.00 0.00 H new ATOM 0 HE3 MET A 192 66.011 -9.002 3.788 1.00 0.00 H new ATOM 1061 N GLY A 193 60.914 -9.585 5.748 1.00 0.00 N ATOM 1062 CA GLY A 193 60.869 -10.308 7.014 1.00 0.00 C ATOM 1063 C GLY A 193 60.145 -11.646 6.862 1.00 0.00 C ATOM 1064 O GLY A 193 60.185 -12.488 7.759 1.00 0.00 O ATOM 0 H GLY A 193 60.197 -8.867 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.883 -10.479 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.363 -9.701 7.765 1.00 0.00 H new