USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 71 THR OG1 : rot 180:sc= 0.334 USER MOD Set 1.2: A 73 THR OG1 : rot 43:sc= 0.0389 USER MOD Set 1.3: A 74 HIS : no HE2:sc= -0.137 K(o=0.24,f=-2.8) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -143:sc= 2.3 (180deg=-0.18) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.996 K(o=3.3,f=-3.8) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.487 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.32 K(o=0.81,f=-0.026) USER MOD Single : A 8 ASN : amide:sc= 0.536 K(o=0.54,f=-1.2) USER MOD Single : A 9 GLN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 14 THR OG1 : rot -160:sc= -0.113 USER MOD Single : A 15 ASN : amide:sc= 0.698 K(o=0.7,f=-0.28) USER MOD Single : A 20 THR OG1 : rot 88:sc= 1.05 USER MOD Single : A 21 ASN : amide:sc= 0.428 K(o=0.43,f=-3.6!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 94:sc= 1.29 USER MOD Single : A 27 MET CE :methyl 175:sc= 0 (180deg=-0.0429) USER MOD Single : A 30 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.11) USER MOD Single : A 31 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 1.06 (180deg=0.869) USER MOD Single : A 45 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.205 USER MOD Single : A 58 SER OG : rot 136:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.776) USER MOD Single : A 76 MET CE :methyl 176:sc= -0.264 (180deg=-0.312) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 11.965 6.245 9.023 1.00 0.00 N ATOM 91 CA PRO A 7 13.043 6.856 8.253 1.00 0.00 C ATOM 92 C PRO A 7 14.378 6.111 8.369 1.00 0.00 C ATOM 93 O PRO A 7 14.768 5.681 9.458 1.00 0.00 O ATOM 94 CB PRO A 7 13.151 8.299 8.755 1.00 0.00 C ATOM 95 CG PRO A 7 11.727 8.609 9.209 1.00 0.00 C ATOM 96 CD PRO A 7 11.247 7.269 9.769 1.00 0.00 C ATOM 0 HA PRO A 7 12.812 6.813 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.865 8.390 9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.481 8.977 7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.706 9.394 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.104 8.947 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.456 7.194 10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.170 7.158 9.647 1.00 0.00 H new ATOM 104 N ASN A 8 15.097 6.005 7.249 1.00 0.00 N ATOM 105 CA ASN A 8 16.422 5.403 7.145 1.00 0.00 C ATOM 106 C ASN A 8 17.185 6.143 6.049 1.00 0.00 C ATOM 107 O ASN A 8 16.577 6.626 5.096 1.00 0.00 O ATOM 108 CB ASN A 8 16.307 3.910 6.795 1.00 0.00 C ATOM 109 CG ASN A 8 17.673 3.291 6.521 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.651 3.567 7.207 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.788 2.505 5.468 1.00 0.00 N ATOM 0 H ASN A 8 14.754 6.352 6.353 1.00 0.00 H new ATOM 0 HA ASN A 8 16.948 5.483 8.096 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.825 3.379 7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.670 3.789 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.698 2.119 5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.967 2.283 4.905 1.00 0.00 H new ATOM 118 N GLN A 9 18.512 6.232 6.161 1.00 0.00 N ATOM 119 CA GLN A 9 19.382 6.972 5.244 1.00 0.00 C ATOM 120 C GLN A 9 19.579 6.272 3.887 1.00 0.00 C ATOM 121 O GLN A 9 20.420 6.705 3.100 1.00 0.00 O ATOM 122 CB GLN A 9 20.718 7.276 5.944 1.00 0.00 C ATOM 123 CG GLN A 9 21.615 6.038 6.110 1.00 0.00 C ATOM 124 CD GLN A 9 22.905 6.350 6.860 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.142 5.813 7.940 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.758 7.201 6.313 1.00 0.00 N ATOM 0 H GLN A 9 19.027 5.777 6.915 1.00 0.00 H new ATOM 0 HA GLN A 9 18.886 7.911 4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.256 8.032 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.516 7.704 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.065 5.264 6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.858 5.635 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.541 7.635 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.633 7.423 6.789 1.00 0.00 H new ATOM 135 N ILE A 10 18.859 5.182 3.607 1.00 0.00 N ATOM 136 CA ILE A 10 18.908 4.472 2.335 1.00 0.00 C ATOM 137 C ILE A 10 17.453 4.256 1.930 1.00 0.00 C ATOM 138 O ILE A 10 16.597 3.958 2.771 1.00 0.00 O ATOM 139 CB ILE A 10 19.721 3.150 2.424 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.101 3.382 3.085 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.892 2.501 1.032 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.041 2.169 3.084 1.00 0.00 C ATOM 0 H ILE A 10 18.213 4.763 4.276 1.00 0.00 H new ATOM 0 HA ILE A 10 19.438 5.048 1.577 1.00 0.00 H new ATOM 0 HB ILE A 10 19.154 2.463 3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.597 4.206 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.943 3.698 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.465 1.579 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.911 2.277 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.421 3.189 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.980 2.436 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.574 1.346 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.238 1.862 2.057 1.00 0.00 H new ATOM 154 N LEU A 11 17.182 4.395 0.638 1.00 0.00 N ATOM 155 CA LEU A 11 15.869 4.294 0.028 1.00 0.00 C ATOM 156 C LEU A 11 15.947 3.212 -1.038 1.00 0.00 C ATOM 157 O LEU A 11 16.985 3.057 -1.686 1.00 0.00 O ATOM 158 CB LEU A 11 15.474 5.630 -0.628 1.00 0.00 C ATOM 159 CG LEU A 11 15.451 6.856 0.303 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.135 8.123 -0.500 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.434 6.673 1.434 1.00 0.00 C ATOM 0 H LEU A 11 17.913 4.592 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 11 15.121 4.053 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.168 5.831 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.485 5.516 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 11 16.438 6.959 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.121 8.984 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.898 8.269 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.160 8.018 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.440 7.555 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.439 6.540 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.699 5.795 2.023 1.00 0.00 H new ATOM 173 N PHE A 12 14.842 2.506 -1.243 1.00 0.00 N ATOM 174 CA PHE A 12 14.640 1.584 -2.343 1.00 0.00 C ATOM 175 C PHE A 12 13.569 2.221 -3.214 1.00 0.00 C ATOM 176 O PHE A 12 12.559 2.720 -2.707 1.00 0.00 O ATOM 177 CB PHE A 12 14.202 0.211 -1.827 1.00 0.00 C ATOM 178 CG PHE A 12 13.883 -0.771 -2.941 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.906 -1.215 -3.799 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.565 -1.226 -3.143 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.630 -2.144 -4.816 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.293 -2.170 -4.150 1.00 0.00 C ATOM 183 CZ PHE A 12 13.325 -2.634 -4.985 1.00 0.00 C ATOM 0 H PHE A 12 14.035 2.565 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 12 15.557 1.414 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 12 14.992 -0.204 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.323 0.331 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.911 -0.839 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.763 -0.850 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.422 -2.481 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.287 -2.540 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.115 -3.364 -5.753 1.00 0.00 H new ATOM 193 N LEU A 13 13.803 2.233 -4.518 1.00 0.00 N ATOM 194 CA LEU A 13 13.027 2.970 -5.495 1.00 0.00 C ATOM 195 C LEU A 13 12.514 1.986 -6.529 1.00 0.00 C ATOM 196 O LEU A 13 13.216 1.041 -6.885 1.00 0.00 O ATOM 197 CB LEU A 13 13.913 4.028 -6.171 1.00 0.00 C ATOM 198 CG LEU A 13 13.750 5.436 -5.588 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.353 5.555 -4.183 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.446 6.427 -6.518 1.00 0.00 C ATOM 0 H LEU A 13 14.570 1.707 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 13 12.191 3.476 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.956 3.726 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.681 4.057 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 13 12.684 5.650 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.213 6.570 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.857 4.852 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.418 5.327 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.341 7.436 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.504 6.175 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.991 6.379 -7.507 1.00 0.00 H new ATOM 212 N THR A 14 11.307 2.237 -7.020 1.00 0.00 N ATOM 213 CA THR A 14 10.528 1.333 -7.858 1.00 0.00 C ATOM 214 C THR A 14 9.708 2.134 -8.880 1.00 0.00 C ATOM 215 O THR A 14 9.633 3.366 -8.806 1.00 0.00 O ATOM 216 CB THR A 14 9.621 0.464 -6.955 1.00 0.00 C ATOM 217 OG1 THR A 14 9.255 1.116 -5.745 1.00 0.00 O ATOM 218 CG2 THR A 14 10.287 -0.853 -6.573 1.00 0.00 C ATOM 0 H THR A 14 10.822 3.116 -6.837 1.00 0.00 H new ATOM 0 HA THR A 14 11.193 0.675 -8.417 1.00 0.00 H new ATOM 0 HB THR A 14 8.731 0.282 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.967 0.448 -5.088 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.614 -1.430 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.513 -1.422 -7.475 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.211 -0.650 -6.031 1.00 0.00 H new ATOM 226 N ASN A 15 9.071 1.426 -9.824 1.00 0.00 N ATOM 227 CA ASN A 15 8.282 1.980 -10.931 1.00 0.00 C ATOM 228 C ASN A 15 9.081 2.982 -11.783 1.00 0.00 C ATOM 229 O ASN A 15 8.532 3.931 -12.346 1.00 0.00 O ATOM 230 CB ASN A 15 6.950 2.552 -10.408 1.00 0.00 C ATOM 231 CG ASN A 15 5.964 2.834 -11.541 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.657 1.958 -12.346 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.423 4.038 -11.615 1.00 0.00 N ATOM 0 H ASN A 15 9.094 0.406 -9.836 1.00 0.00 H new ATOM 0 HA ASN A 15 8.039 1.165 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.504 1.848 -9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.142 3.473 -9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.743 4.248 -12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.685 4.757 -10.941 1.00 0.00 H new ATOM 240 N LEU A 16 10.402 2.800 -11.839 1.00 0.00 N ATOM 241 CA LEU A 16 11.319 3.681 -12.556 1.00 0.00 C ATOM 242 C LEU A 16 11.255 3.372 -14.063 1.00 0.00 C ATOM 243 O LEU A 16 10.801 2.284 -14.435 1.00 0.00 O ATOM 244 CB LEU A 16 12.751 3.495 -12.017 1.00 0.00 C ATOM 245 CG LEU A 16 12.905 3.489 -10.484 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.371 3.259 -10.127 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.402 4.780 -9.827 1.00 0.00 C ATOM 0 H LEU A 16 10.871 2.020 -11.378 1.00 0.00 H new ATOM 0 HA LEU A 16 11.028 4.720 -12.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.144 2.555 -12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.375 4.292 -12.421 1.00 0.00 H new ATOM 0 HG LEU A 16 12.285 2.680 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.485 3.254 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.698 2.301 -10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.979 4.058 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.537 4.715 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.967 5.629 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.344 4.915 -10.053 1.00 0.00 H new ATOM 259 N PRO A 17 11.708 4.287 -14.938 1.00 0.00 N ATOM 260 CA PRO A 17 11.852 4.023 -16.363 1.00 0.00 C ATOM 261 C PRO A 17 12.652 2.747 -16.649 1.00 0.00 C ATOM 262 O PRO A 17 13.608 2.415 -15.943 1.00 0.00 O ATOM 263 CB PRO A 17 12.554 5.241 -16.967 1.00 0.00 C ATOM 264 CG PRO A 17 12.434 6.349 -15.928 1.00 0.00 C ATOM 265 CD PRO A 17 12.042 5.666 -14.623 1.00 0.00 C ATOM 0 HA PRO A 17 10.869 3.861 -16.806 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.599 5.021 -17.185 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.087 5.535 -17.907 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.377 6.885 -15.819 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.684 7.082 -16.225 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.862 5.708 -13.906 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.192 6.172 -14.165 1.00 0.00 H new ATOM 273 N GLU A 18 12.356 2.100 -17.777 1.00 0.00 N ATOM 274 CA GLU A 18 13.155 0.995 -18.314 1.00 0.00 C ATOM 275 C GLU A 18 14.536 1.459 -18.816 1.00 0.00 C ATOM 276 O GLU A 18 15.348 0.639 -19.244 1.00 0.00 O ATOM 277 CB GLU A 18 12.357 0.267 -19.411 1.00 0.00 C ATOM 278 CG GLU A 18 12.039 1.150 -20.630 1.00 0.00 C ATOM 279 CD GLU A 18 11.272 0.362 -21.707 1.00 0.00 C ATOM 280 OE1 GLU A 18 11.911 -0.240 -22.601 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.020 0.350 -21.687 1.00 0.00 O ATOM 0 H GLU A 18 11.545 2.331 -18.351 1.00 0.00 H new ATOM 0 HA GLU A 18 13.357 0.293 -17.504 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.922 -0.605 -19.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.423 -0.101 -18.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.447 2.009 -20.315 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.966 1.539 -21.052 1.00 0.00 H new ATOM 288 N GLU A 19 14.806 2.766 -18.758 1.00 0.00 N ATOM 289 CA GLU A 19 15.984 3.433 -19.265 1.00 0.00 C ATOM 290 C GLU A 19 16.695 4.260 -18.175 1.00 0.00 C ATOM 291 O GLU A 19 17.547 5.094 -18.486 1.00 0.00 O ATOM 292 CB GLU A 19 15.582 4.265 -20.500 1.00 0.00 C ATOM 293 CG GLU A 19 14.621 5.426 -20.192 1.00 0.00 C ATOM 294 CD GLU A 19 14.295 6.229 -21.465 1.00 0.00 C ATOM 295 OE1 GLU A 19 15.038 7.180 -21.800 1.00 0.00 O ATOM 296 OE2 GLU A 19 13.284 5.928 -22.139 1.00 0.00 O ATOM 0 H GLU A 19 14.156 3.421 -18.324 1.00 0.00 H new ATOM 0 HA GLU A 19 16.723 2.694 -19.574 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.483 4.667 -20.962 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.115 3.606 -21.232 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.700 5.035 -19.759 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.068 6.085 -19.448 1.00 0.00 H new ATOM 303 N THR A 20 16.330 4.065 -16.902 1.00 0.00 N ATOM 304 CA THR A 20 16.920 4.778 -15.772 1.00 0.00 C ATOM 305 C THR A 20 18.418 4.470 -15.704 1.00 0.00 C ATOM 306 O THR A 20 18.850 3.358 -16.026 1.00 0.00 O ATOM 307 CB THR A 20 16.196 4.388 -14.471 1.00 0.00 C ATOM 308 OG1 THR A 20 14.811 4.443 -14.673 1.00 0.00 O ATOM 309 CG2 THR A 20 16.479 5.356 -13.319 1.00 0.00 C ATOM 0 H THR A 20 15.608 3.399 -16.629 1.00 0.00 H new ATOM 0 HA THR A 20 16.801 5.853 -15.904 1.00 0.00 H new ATOM 0 HB THR A 20 16.555 3.391 -14.215 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.496 3.581 -15.017 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.941 5.029 -12.429 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.549 5.372 -13.111 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.148 6.357 -13.595 1.00 0.00 H new ATOM 317 N ASN A 21 19.212 5.445 -15.260 1.00 0.00 N ATOM 318 CA ASN A 21 20.660 5.341 -15.169 1.00 0.00 C ATOM 319 C ASN A 21 21.108 6.031 -13.881 1.00 0.00 C ATOM 320 O ASN A 21 20.399 6.908 -13.381 1.00 0.00 O ATOM 321 CB ASN A 21 21.296 6.002 -16.405 1.00 0.00 C ATOM 322 CG ASN A 21 22.817 5.964 -16.348 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.450 6.916 -15.906 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.430 4.856 -16.728 1.00 0.00 N ATOM 0 H ASN A 21 18.853 6.347 -14.948 1.00 0.00 H new ATOM 0 HA ASN A 21 20.977 4.298 -15.144 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.953 5.493 -17.306 1.00 0.00 H new ATOM 0 HB3 ASN A 21 20.961 7.037 -16.477 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.445 4.784 -16.656 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.888 4.073 -17.094 1.00 0.00 H new ATOM 331 N GLU A 22 22.285 5.666 -13.368 1.00 0.00 N ATOM 332 CA GLU A 22 22.912 6.246 -12.179 1.00 0.00 C ATOM 333 C GLU A 22 22.868 7.777 -12.210 1.00 0.00 C ATOM 334 O GLU A 22 22.516 8.417 -11.217 1.00 0.00 O ATOM 335 CB GLU A 22 24.355 5.714 -12.116 1.00 0.00 C ATOM 336 CG GLU A 22 25.111 6.093 -10.836 1.00 0.00 C ATOM 337 CD GLU A 22 26.574 5.613 -10.891 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.844 4.424 -10.606 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.473 6.421 -11.219 1.00 0.00 O ATOM 0 H GLU A 22 22.850 4.928 -13.787 1.00 0.00 H new ATOM 0 HA GLU A 22 22.367 5.954 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.334 4.628 -12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.907 6.092 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 22 25.085 7.174 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.613 5.652 -9.972 1.00 0.00 H new ATOM 346 N MET A 23 23.172 8.361 -13.369 1.00 0.00 N ATOM 347 CA MET A 23 23.250 9.807 -13.539 1.00 0.00 C ATOM 348 C MET A 23 21.887 10.470 -13.351 1.00 0.00 C ATOM 349 O MET A 23 21.827 11.570 -12.804 1.00 0.00 O ATOM 350 CB MET A 23 23.811 10.156 -14.927 1.00 0.00 C ATOM 351 CG MET A 23 25.261 9.695 -15.124 1.00 0.00 C ATOM 352 SD MET A 23 26.468 10.476 -14.013 1.00 0.00 S ATOM 353 CE MET A 23 27.977 9.645 -14.582 1.00 0.00 C ATOM 0 H MET A 23 23.372 7.838 -14.221 1.00 0.00 H new ATOM 0 HA MET A 23 23.922 10.190 -12.771 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.183 9.698 -15.691 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.756 11.235 -15.074 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.306 8.615 -14.984 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.554 9.896 -16.154 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.830 10.004 -14.006 1.00 0.00 H new ATOM 0 HE2 MET A 23 27.874 8.569 -14.444 1.00 0.00 H new ATOM 0 HE3 MET A 23 28.136 9.862 -15.638 1.00 0.00 H new ATOM 363 N MET A 24 20.802 9.811 -13.771 1.00 0.00 N ATOM 364 CA MET A 24 19.458 10.379 -13.689 1.00 0.00 C ATOM 365 C MET A 24 19.091 10.586 -12.229 1.00 0.00 C ATOM 366 O MET A 24 18.772 11.696 -11.806 1.00 0.00 O ATOM 367 CB MET A 24 18.407 9.485 -14.368 1.00 0.00 C ATOM 368 CG MET A 24 18.610 9.407 -15.881 1.00 0.00 C ATOM 369 SD MET A 24 18.267 10.947 -16.778 1.00 0.00 S ATOM 370 CE MET A 24 18.642 10.396 -18.465 1.00 0.00 C ATOM 0 H MET A 24 20.833 8.875 -14.175 1.00 0.00 H new ATOM 0 HA MET A 24 19.464 11.332 -14.218 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.456 8.482 -13.944 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.410 9.872 -14.156 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.639 9.109 -16.080 1.00 0.00 H new ATOM 0 HG3 MET A 24 17.968 8.621 -16.279 1.00 0.00 H new ATOM 0 HE1 MET A 24 18.485 11.221 -19.160 1.00 0.00 H new ATOM 0 HE2 MET A 24 19.680 10.069 -18.518 1.00 0.00 H new ATOM 0 HE3 MET A 24 17.986 9.567 -18.731 1.00 0.00 H new ATOM 380 N LEU A 25 19.176 9.515 -11.441 1.00 0.00 N ATOM 381 CA LEU A 25 18.770 9.588 -10.045 1.00 0.00 C ATOM 382 C LEU A 25 19.746 10.444 -9.252 1.00 0.00 C ATOM 383 O LEU A 25 19.311 11.156 -8.350 1.00 0.00 O ATOM 384 CB LEU A 25 18.689 8.203 -9.395 1.00 0.00 C ATOM 385 CG LEU A 25 17.677 7.237 -10.015 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.539 6.027 -9.092 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.309 7.898 -10.233 1.00 0.00 C ATOM 0 H LEU A 25 19.517 8.602 -11.742 1.00 0.00 H new ATOM 0 HA LEU A 25 17.777 10.036 -10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.676 7.743 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.443 8.331 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 25 18.039 6.931 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.821 5.325 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.507 5.537 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.190 6.354 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.622 7.176 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.912 8.238 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.419 8.751 -10.903 1.00 0.00 H new ATOM 399 N SER A 26 21.040 10.412 -9.588 1.00 0.00 N ATOM 400 CA SER A 26 22.014 11.252 -8.910 1.00 0.00 C ATOM 401 C SER A 26 21.658 12.720 -9.125 1.00 0.00 C ATOM 402 O SER A 26 21.578 13.475 -8.161 1.00 0.00 O ATOM 403 CB SER A 26 23.436 10.942 -9.388 1.00 0.00 C ATOM 404 OG SER A 26 23.746 9.580 -9.165 1.00 0.00 O ATOM 0 H SER A 26 21.428 9.817 -10.320 1.00 0.00 H new ATOM 0 HA SER A 26 21.985 11.040 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.528 11.173 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.150 11.575 -8.861 1.00 0.00 H new ATOM 0 HG SER A 26 23.554 9.064 -9.975 1.00 0.00 H new ATOM 410 N MET A 27 21.361 13.115 -10.365 1.00 0.00 N ATOM 411 CA MET A 27 20.946 14.468 -10.689 1.00 0.00 C ATOM 412 C MET A 27 19.670 14.840 -9.923 1.00 0.00 C ATOM 413 O MET A 27 19.585 15.946 -9.387 1.00 0.00 O ATOM 414 CB MET A 27 20.766 14.563 -12.211 1.00 0.00 C ATOM 415 CG MET A 27 20.315 15.943 -12.689 1.00 0.00 C ATOM 416 SD MET A 27 21.386 17.347 -12.250 1.00 0.00 S ATOM 417 CE MET A 27 22.897 16.918 -13.160 1.00 0.00 C ATOM 0 H MET A 27 21.404 12.495 -11.174 1.00 0.00 H new ATOM 0 HA MET A 27 21.705 15.187 -10.381 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.709 14.310 -12.696 1.00 0.00 H new ATOM 0 HB3 MET A 27 20.034 13.820 -12.529 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.220 15.913 -13.774 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.320 16.135 -12.287 1.00 0.00 H new ATOM 0 HE1 MET A 27 23.621 17.727 -13.065 1.00 0.00 H new ATOM 0 HE2 MET A 27 23.321 16.001 -12.750 1.00 0.00 H new ATOM 0 HE3 MET A 27 22.657 16.768 -14.213 1.00 0.00 H new ATOM 427 N LEU A 28 18.691 13.927 -9.843 1.00 0.00 N ATOM 428 CA LEU A 28 17.418 14.214 -9.191 1.00 0.00 C ATOM 429 C LEU A 28 17.591 14.402 -7.690 1.00 0.00 C ATOM 430 O LEU A 28 17.118 15.402 -7.155 1.00 0.00 O ATOM 431 CB LEU A 28 16.370 13.124 -9.479 1.00 0.00 C ATOM 432 CG LEU A 28 15.842 13.127 -10.927 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.886 11.947 -11.134 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.122 14.432 -11.295 1.00 0.00 C ATOM 0 H LEU A 28 18.763 12.984 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 28 17.052 15.150 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.807 12.149 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.530 13.253 -8.797 1.00 0.00 H new ATOM 0 HG LEU A 28 16.710 13.037 -11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.516 11.954 -12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.415 11.013 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.046 12.034 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.772 14.376 -12.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.271 14.578 -10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.811 15.270 -11.191 1.00 0.00 H new ATOM 446 N PHE A 29 18.246 13.471 -7.002 1.00 0.00 N ATOM 447 CA PHE A 29 18.319 13.521 -5.543 1.00 0.00 C ATOM 448 C PHE A 29 19.417 14.459 -5.025 1.00 0.00 C ATOM 449 O PHE A 29 19.292 14.971 -3.913 1.00 0.00 O ATOM 450 CB PHE A 29 18.499 12.113 -4.972 1.00 0.00 C ATOM 451 CG PHE A 29 17.227 11.289 -4.927 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.748 10.641 -6.080 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.518 11.168 -3.717 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.563 9.893 -6.022 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.333 10.418 -3.657 1.00 0.00 C ATOM 456 CZ PHE A 29 14.852 9.785 -4.814 1.00 0.00 C ATOM 0 H PHE A 29 18.730 12.679 -7.425 1.00 0.00 H new ATOM 0 HA PHE A 29 17.373 13.935 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.240 11.583 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.902 12.192 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.292 10.719 -7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.889 11.656 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.195 9.398 -6.909 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.794 10.328 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.936 9.215 -4.776 1.00 0.00 H new ATOM 466 N ASN A 30 20.483 14.732 -5.785 1.00 0.00 N ATOM 467 CA ASN A 30 21.600 15.551 -5.298 1.00 0.00 C ATOM 468 C ASN A 30 21.207 17.006 -5.006 1.00 0.00 C ATOM 469 O ASN A 30 21.955 17.722 -4.340 1.00 0.00 O ATOM 470 CB ASN A 30 22.773 15.493 -6.276 1.00 0.00 C ATOM 471 CG ASN A 30 23.981 16.307 -5.818 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.565 16.044 -4.771 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.398 17.296 -6.594 1.00 0.00 N ATOM 0 H ASN A 30 20.596 14.397 -6.742 1.00 0.00 H new ATOM 0 HA ASN A 30 21.904 15.121 -4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.074 14.454 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.445 15.859 -7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.212 17.848 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.905 17.506 -7.462 1.00 0.00 H new ATOM 480 N GLN A 31 20.035 17.459 -5.471 1.00 0.00 N ATOM 481 CA GLN A 31 19.507 18.772 -5.117 1.00 0.00 C ATOM 482 C GLN A 31 19.357 18.934 -3.595 1.00 0.00 C ATOM 483 O GLN A 31 19.442 20.056 -3.091 1.00 0.00 O ATOM 484 CB GLN A 31 18.180 19.040 -5.852 1.00 0.00 C ATOM 485 CG GLN A 31 16.998 18.215 -5.322 1.00 0.00 C ATOM 486 CD GLN A 31 15.719 18.478 -6.120 1.00 0.00 C ATOM 487 OE1 GLN A 31 15.074 19.513 -5.972 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.328 17.560 -6.987 1.00 0.00 N ATOM 0 H GLN A 31 19.434 16.925 -6.099 1.00 0.00 H new ATOM 0 HA GLN A 31 20.228 19.522 -5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.937 20.099 -5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.314 18.826 -6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.245 17.154 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.828 18.456 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.870 16.704 -7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.484 17.708 -7.540 1.00 0.00 H new ATOM 497 N PHE A 32 19.122 17.837 -2.860 1.00 0.00 N ATOM 498 CA PHE A 32 18.954 17.874 -1.413 1.00 0.00 C ATOM 499 C PHE A 32 20.348 17.802 -0.771 1.00 0.00 C ATOM 500 O PHE A 32 21.141 16.947 -1.177 1.00 0.00 O ATOM 501 CB PHE A 32 18.059 16.709 -0.957 1.00 0.00 C ATOM 502 CG PHE A 32 16.764 16.586 -1.747 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.803 17.616 -1.726 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.556 15.469 -2.578 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.671 17.542 -2.560 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.430 15.394 -3.408 1.00 0.00 C ATOM 507 CZ PHE A 32 14.498 16.439 -3.416 1.00 0.00 C ATOM 0 H PHE A 32 19.044 16.902 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 32 18.464 18.797 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.618 15.777 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.819 16.838 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.935 18.463 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.272 14.661 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.935 18.332 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.281 14.532 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.647 16.398 -4.079 1.00 0.00 H new ATOM 517 N PRO A 33 20.664 18.637 0.240 1.00 0.00 N ATOM 518 CA PRO A 33 22.003 18.768 0.827 1.00 0.00 C ATOM 519 C PRO A 33 22.387 17.590 1.754 1.00 0.00 C ATOM 520 O PRO A 33 23.059 17.772 2.773 1.00 0.00 O ATOM 521 CB PRO A 33 21.988 20.136 1.525 1.00 0.00 C ATOM 522 CG PRO A 33 20.537 20.289 1.966 1.00 0.00 C ATOM 523 CD PRO A 33 19.770 19.632 0.822 1.00 0.00 C ATOM 0 HA PRO A 33 22.785 18.721 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.671 20.162 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.289 20.936 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.348 19.793 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.260 21.336 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.855 19.165 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.476 20.372 0.077 1.00 0.00 H new ATOM 531 N GLY A 34 21.965 16.372 1.409 1.00 0.00 N ATOM 532 CA GLY A 34 22.247 15.150 2.143 1.00 0.00 C ATOM 533 C GLY A 34 22.474 13.941 1.247 1.00 0.00 C ATOM 534 O GLY A 34 22.854 12.900 1.778 1.00 0.00 O ATOM 0 H GLY A 34 21.396 16.210 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.130 15.304 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.417 14.941 2.818 1.00 0.00 H new ATOM 538 N PHE A 35 22.258 14.035 -0.070 1.00 0.00 N ATOM 539 CA PHE A 35 22.531 12.960 -1.002 1.00 0.00 C ATOM 540 C PHE A 35 23.989 12.519 -0.897 1.00 0.00 C ATOM 541 O PHE A 35 24.884 13.332 -0.635 1.00 0.00 O ATOM 542 CB PHE A 35 22.238 13.501 -2.401 1.00 0.00 C ATOM 543 CG PHE A 35 22.660 12.600 -3.543 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.780 11.618 -4.024 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.931 12.748 -4.133 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.156 10.801 -5.097 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.316 11.913 -5.195 1.00 0.00 C ATOM 548 CZ PHE A 35 23.428 10.938 -5.673 1.00 0.00 C ATOM 0 H PHE A 35 21.884 14.874 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 35 21.912 12.090 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.167 13.688 -2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.739 14.462 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.810 11.492 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.610 13.504 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.466 10.064 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.293 12.021 -5.642 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.724 10.292 -6.486 1.00 0.00 H new ATOM 558 N LYS A 36 24.225 11.242 -1.194 1.00 0.00 N ATOM 559 CA LYS A 36 25.568 10.694 -1.354 1.00 0.00 C ATOM 560 C LYS A 36 25.688 9.860 -2.621 1.00 0.00 C ATOM 561 O LYS A 36 26.637 10.088 -3.372 1.00 0.00 O ATOM 562 CB LYS A 36 25.981 9.836 -0.147 1.00 0.00 C ATOM 563 CG LYS A 36 25.988 10.573 1.204 1.00 0.00 C ATOM 564 CD LYS A 36 26.697 9.774 2.316 1.00 0.00 C ATOM 565 CE LYS A 36 26.210 8.317 2.385 1.00 0.00 C ATOM 566 NZ LYS A 36 26.958 7.474 3.346 1.00 0.00 N ATOM 0 H LYS A 36 23.484 10.555 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 36 26.239 11.550 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.303 8.985 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.978 9.435 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.482 11.537 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.961 10.776 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.773 9.788 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.524 10.259 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 36 25.155 8.311 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 36 26.286 7.873 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.768 6.471 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.977 7.659 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.655 7.700 4.315 1.00 0.00 H new ATOM 580 N GLU A 37 24.789 8.899 -2.873 1.00 0.00 N ATOM 581 CA GLU A 37 25.014 7.932 -3.955 1.00 0.00 C ATOM 582 C GLU A 37 23.710 7.248 -4.391 1.00 0.00 C ATOM 583 O GLU A 37 22.704 7.335 -3.685 1.00 0.00 O ATOM 584 CB GLU A 37 26.039 6.898 -3.419 1.00 0.00 C ATOM 585 CG GLU A 37 26.594 5.869 -4.412 1.00 0.00 C ATOM 586 CD GLU A 37 27.197 6.515 -5.671 1.00 0.00 C ATOM 587 OE1 GLU A 37 26.427 6.915 -6.571 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.443 6.620 -5.767 1.00 0.00 O ATOM 0 H GLU A 37 23.919 8.771 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 37 25.394 8.436 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.881 7.447 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.570 6.355 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.357 5.269 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 37 25.795 5.188 -4.706 1.00 0.00 H new ATOM 595 N VAL A 38 23.729 6.536 -5.524 1.00 0.00 N ATOM 596 CA VAL A 38 22.655 5.645 -5.966 1.00 0.00 C ATOM 597 C VAL A 38 23.253 4.304 -6.418 1.00 0.00 C ATOM 598 O VAL A 38 24.447 4.206 -6.711 1.00 0.00 O ATOM 599 CB VAL A 38 21.733 6.275 -7.046 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.361 7.724 -6.726 1.00 0.00 C ATOM 601 CG2 VAL A 38 22.284 6.232 -8.476 1.00 0.00 C ATOM 0 H VAL A 38 24.514 6.566 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 38 21.999 5.470 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 38 20.850 5.636 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.716 8.116 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.835 7.762 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.267 8.327 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.569 6.695 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.229 6.774 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.447 5.196 -8.772 1.00 0.00 H new ATOM 611 N ARG A 39 22.410 3.276 -6.522 1.00 0.00 N ATOM 612 CA ARG A 39 22.756 1.960 -7.046 1.00 0.00 C ATOM 613 C ARG A 39 21.606 1.551 -7.953 1.00 0.00 C ATOM 614 O ARG A 39 20.546 1.153 -7.470 1.00 0.00 O ATOM 615 CB ARG A 39 23.005 0.976 -5.888 1.00 0.00 C ATOM 616 CG ARG A 39 23.351 -0.445 -6.363 1.00 0.00 C ATOM 617 CD ARG A 39 23.601 -1.397 -5.185 1.00 0.00 C ATOM 618 NE ARG A 39 22.374 -1.672 -4.408 1.00 0.00 N ATOM 619 CZ ARG A 39 22.333 -2.236 -3.193 1.00 0.00 C ATOM 620 NH1 ARG A 39 23.457 -2.595 -2.575 1.00 0.00 N ATOM 621 NH2 ARG A 39 21.163 -2.444 -2.594 1.00 0.00 N ATOM 0 H ARG A 39 21.434 3.342 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 39 23.683 1.966 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.819 1.353 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.117 0.935 -5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 39 22.536 -0.831 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.237 -0.410 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.007 -2.336 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 39 24.355 -0.965 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 39 21.484 -1.411 -4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.359 -2.441 -3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.416 -3.024 -1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.297 -2.174 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.133 -2.873 -1.669 1.00 0.00 H new ATOM 635 N LEU A 40 21.786 1.728 -9.260 1.00 0.00 N ATOM 636 CA LEU A 40 20.877 1.192 -10.261 1.00 0.00 C ATOM 637 C LEU A 40 20.998 -0.329 -10.270 1.00 0.00 C ATOM 638 O LEU A 40 21.954 -0.905 -9.744 1.00 0.00 O ATOM 639 CB LEU A 40 21.217 1.780 -11.654 1.00 0.00 C ATOM 640 CG LEU A 40 20.189 2.784 -12.203 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.851 2.109 -12.518 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.990 3.978 -11.264 1.00 0.00 C ATOM 0 H LEU A 40 22.570 2.249 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 40 19.851 1.469 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.188 2.271 -11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.316 0.959 -12.364 1.00 0.00 H new ATOM 0 HG LEU A 40 20.599 3.168 -13.137 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.151 2.851 -12.903 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.003 1.331 -13.266 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.445 1.665 -11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.256 4.660 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.635 3.624 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.938 4.500 -11.134 1.00 0.00 H new ATOM 654 N VAL A 41 20.060 -0.969 -10.961 1.00 0.00 N ATOM 655 CA VAL A 41 20.098 -2.387 -11.277 1.00 0.00 C ATOM 656 C VAL A 41 20.137 -2.447 -12.803 1.00 0.00 C ATOM 657 O VAL A 41 19.074 -2.512 -13.416 1.00 0.00 O ATOM 658 CB VAL A 41 18.920 -3.122 -10.597 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.012 -4.637 -10.829 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.901 -2.863 -9.078 1.00 0.00 C ATOM 0 H VAL A 41 19.231 -0.500 -11.325 1.00 0.00 H new ATOM 0 HA VAL A 41 20.969 -2.914 -10.887 1.00 0.00 H new ATOM 0 HB VAL A 41 18.005 -2.734 -11.043 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.172 -5.132 -10.341 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.983 -4.844 -11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.946 -5.013 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.061 -3.393 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.832 -3.218 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.796 -1.794 -8.892 1.00 0.00 H new ATOM 722 N HIS A 45 16.523 -1.868 -14.399 1.00 0.00 N ATOM 723 CA HIS A 45 16.345 -0.413 -14.442 1.00 0.00 C ATOM 724 C HIS A 45 15.073 0.113 -13.758 1.00 0.00 C ATOM 725 O HIS A 45 15.076 1.258 -13.313 1.00 0.00 O ATOM 726 CB HIS A 45 16.458 0.127 -15.879 1.00 0.00 C ATOM 727 CG HIS A 45 17.754 -0.213 -16.575 1.00 0.00 C ATOM 728 ND1 HIS A 45 18.844 0.616 -16.718 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.050 -1.381 -17.226 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.773 -0.036 -17.434 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.339 -1.268 -17.764 1.00 0.00 N ATOM 0 HA HIS A 45 17.169 -0.023 -13.844 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.630 -0.267 -16.468 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.346 1.211 -15.856 1.00 0.00 H new ATOM 0 HD1 HIS A 45 18.930 1.561 -16.345 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.402 -2.241 -17.310 1.00 0.00 H new ATOM 0 HE1 HIS A 45 20.735 0.371 -17.708 1.00 0.00 H new ATOM 739 N ASP A 46 14.013 -0.690 -13.621 1.00 0.00 N ATOM 740 CA ASP A 46 12.727 -0.284 -13.052 1.00 0.00 C ATOM 741 C ASP A 46 12.763 -0.190 -11.526 1.00 0.00 C ATOM 742 O ASP A 46 11.801 0.305 -10.933 1.00 0.00 O ATOM 743 CB ASP A 46 11.599 -1.221 -13.508 1.00 0.00 C ATOM 744 CG ASP A 46 11.546 -2.528 -12.707 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.541 -3.281 -12.715 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.504 -2.846 -12.093 1.00 0.00 O ATOM 0 H ASP A 46 14.028 -1.668 -13.912 1.00 0.00 H new ATOM 0 HA ASP A 46 12.524 0.718 -13.431 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.644 -0.704 -13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.732 -1.454 -14.565 1.00 0.00 H new ATOM 751 N ILE A 47 13.866 -0.612 -10.896 1.00 0.00 N ATOM 752 CA ILE A 47 14.144 -0.427 -9.482 1.00 0.00 C ATOM 753 C ILE A 47 15.588 0.063 -9.305 1.00 0.00 C ATOM 754 O ILE A 47 16.437 -0.144 -10.179 1.00 0.00 O ATOM 755 CB ILE A 47 13.829 -1.699 -8.650 1.00 0.00 C ATOM 756 CG1 ILE A 47 14.961 -2.748 -8.570 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.515 -2.368 -9.085 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.324 -3.462 -9.869 1.00 0.00 C ATOM 0 H ILE A 47 14.612 -1.109 -11.383 1.00 0.00 H new ATOM 0 HA ILE A 47 13.477 0.340 -9.089 1.00 0.00 H new ATOM 0 HB ILE A 47 13.722 -1.310 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.856 -2.255 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.676 -3.501 -7.835 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.338 -3.253 -8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.690 -1.667 -8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.584 -2.659 -10.133 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.130 -4.171 -9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.452 -3.995 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.650 -2.730 -10.608 1.00 0.00 H new ATOM 770 N ALA A 48 15.864 0.704 -8.169 1.00 0.00 N ATOM 771 CA ALA A 48 17.161 1.259 -7.796 1.00 0.00 C ATOM 772 C ALA A 48 17.213 1.421 -6.277 1.00 0.00 C ATOM 773 O ALA A 48 16.218 1.203 -5.586 1.00 0.00 O ATOM 774 CB ALA A 48 17.354 2.626 -8.468 1.00 0.00 C ATOM 0 H ALA A 48 15.155 0.856 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 48 17.955 0.588 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.324 3.036 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.310 2.509 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.565 3.305 -8.145 1.00 0.00 H new ATOM 780 N PHE A 49 18.357 1.872 -5.771 1.00 0.00 N ATOM 781 CA PHE A 49 18.536 2.290 -4.389 1.00 0.00 C ATOM 782 C PHE A 49 19.217 3.656 -4.396 1.00 0.00 C ATOM 783 O PHE A 49 19.928 3.986 -5.348 1.00 0.00 O ATOM 784 CB PHE A 49 19.387 1.282 -3.599 1.00 0.00 C ATOM 785 CG PHE A 49 18.845 -0.132 -3.496 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.867 -0.994 -4.614 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.360 -0.606 -2.260 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.378 -2.308 -4.510 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.898 -1.932 -2.150 1.00 0.00 C ATOM 790 CZ PHE A 49 17.902 -2.779 -3.274 1.00 0.00 C ATOM 0 H PHE A 49 19.207 1.958 -6.328 1.00 0.00 H new ATOM 0 HA PHE A 49 17.563 2.343 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.374 1.236 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.523 1.669 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.262 -0.642 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.343 0.046 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.368 -2.953 -5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.540 -2.300 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.539 -3.792 -3.187 1.00 0.00 H new ATOM 800 N VAL A 50 19.034 4.436 -3.335 1.00 0.00 N ATOM 801 CA VAL A 50 19.611 5.764 -3.150 1.00 0.00 C ATOM 802 C VAL A 50 20.106 5.824 -1.702 1.00 0.00 C ATOM 803 O VAL A 50 19.466 5.254 -0.819 1.00 0.00 O ATOM 804 CB VAL A 50 18.543 6.834 -3.477 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.064 8.260 -3.273 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.011 6.700 -4.913 1.00 0.00 C ATOM 0 H VAL A 50 18.455 4.148 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 50 20.450 5.961 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 50 17.729 6.653 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.276 8.973 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.365 8.392 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.921 8.431 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.264 7.472 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.834 6.816 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.557 5.717 -5.043 1.00 0.00 H new ATOM 816 N GLU A 51 21.227 6.499 -1.442 1.00 0.00 N ATOM 817 CA GLU A 51 21.880 6.566 -0.141 1.00 0.00 C ATOM 818 C GLU A 51 22.228 8.024 0.169 1.00 0.00 C ATOM 819 O GLU A 51 22.666 8.782 -0.709 1.00 0.00 O ATOM 820 CB GLU A 51 23.116 5.647 -0.129 1.00 0.00 C ATOM 821 CG GLU A 51 23.926 5.810 1.170 1.00 0.00 C ATOM 822 CD GLU A 51 25.102 4.830 1.354 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.194 3.794 0.659 1.00 0.00 O ATOM 824 OE2 GLU A 51 25.954 5.110 2.232 1.00 0.00 O ATOM 0 H GLU A 51 21.719 7.031 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 51 21.212 6.210 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.800 4.609 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.750 5.876 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.316 6.827 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.248 5.697 2.016 1.00 0.00 H new ATOM 831 N PHE A 52 22.026 8.381 1.439 1.00 0.00 N ATOM 832 CA PHE A 52 22.062 9.719 2.004 1.00 0.00 C ATOM 833 C PHE A 52 22.910 9.743 3.278 1.00 0.00 C ATOM 834 O PHE A 52 23.249 8.710 3.862 1.00 0.00 O ATOM 835 CB PHE A 52 20.623 10.159 2.332 1.00 0.00 C ATOM 836 CG PHE A 52 19.956 10.984 1.251 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.680 10.422 -0.008 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.628 12.328 1.500 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.124 11.215 -1.024 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.053 13.118 0.491 1.00 0.00 C ATOM 841 CZ PHE A 52 18.821 12.564 -0.779 1.00 0.00 C ATOM 0 H PHE A 52 21.817 7.681 2.151 1.00 0.00 H new ATOM 0 HA PHE A 52 22.508 10.402 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.019 9.271 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.635 10.736 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.896 9.380 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.819 12.756 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.929 10.787 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.790 14.146 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.409 13.176 -1.568 1.00 0.00 H new ATOM 851 N THR A 53 23.228 10.957 3.715 1.00 0.00 N ATOM 852 CA THR A 53 23.955 11.260 4.936 1.00 0.00 C ATOM 853 C THR A 53 23.105 10.940 6.166 1.00 0.00 C ATOM 854 O THR A 53 23.597 10.303 7.100 1.00 0.00 O ATOM 855 CB THR A 53 24.313 12.758 4.903 1.00 0.00 C ATOM 856 OG1 THR A 53 25.162 13.029 3.803 1.00 0.00 O ATOM 857 CG2 THR A 53 24.979 13.232 6.197 1.00 0.00 C ATOM 0 H THR A 53 22.971 11.798 3.198 1.00 0.00 H new ATOM 0 HA THR A 53 24.858 10.652 4.999 1.00 0.00 H new ATOM 0 HB THR A 53 23.377 13.307 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.634 13.042 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.210 14.294 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.302 13.068 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.900 12.671 6.359 1.00 0.00 H new ATOM 865 N THR A 54 21.840 11.359 6.163 1.00 0.00 N ATOM 866 CA THR A 54 20.996 11.329 7.344 1.00 0.00 C ATOM 867 C THR A 54 19.577 10.918 6.975 1.00 0.00 C ATOM 868 O THR A 54 19.064 11.249 5.906 1.00 0.00 O ATOM 869 CB THR A 54 21.031 12.707 8.047 1.00 0.00 C ATOM 870 OG1 THR A 54 21.399 13.769 7.173 1.00 0.00 O ATOM 871 CG2 THR A 54 22.030 12.697 9.202 1.00 0.00 C ATOM 0 H THR A 54 21.375 11.730 5.334 1.00 0.00 H new ATOM 0 HA THR A 54 21.377 10.584 8.043 1.00 0.00 H new ATOM 0 HB THR A 54 20.015 12.880 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.403 14.614 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.040 13.675 9.683 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.739 11.938 9.928 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.026 12.471 8.820 1.00 0.00 H new ATOM 879 N GLU A 55 18.954 10.209 7.915 1.00 0.00 N ATOM 880 CA GLU A 55 17.625 9.603 7.784 1.00 0.00 C ATOM 881 C GLU A 55 16.546 10.668 7.559 1.00 0.00 C ATOM 882 O GLU A 55 15.558 10.437 6.864 1.00 0.00 O ATOM 883 CB GLU A 55 17.293 8.792 9.054 1.00 0.00 C ATOM 884 CG GLU A 55 18.394 7.804 9.478 1.00 0.00 C ATOM 885 CD GLU A 55 18.000 6.954 10.702 1.00 0.00 C ATOM 886 OE1 GLU A 55 17.641 7.518 11.761 1.00 0.00 O ATOM 887 OE2 GLU A 55 18.109 5.710 10.632 1.00 0.00 O ATOM 0 H GLU A 55 19.376 10.032 8.827 1.00 0.00 H new ATOM 0 HA GLU A 55 17.640 8.943 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.106 9.484 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.369 8.239 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.623 7.143 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.305 8.358 9.705 1.00 0.00 H new ATOM 894 N LEU A 56 16.735 11.853 8.148 1.00 0.00 N ATOM 895 CA LEU A 56 15.821 12.976 7.973 1.00 0.00 C ATOM 896 C LEU A 56 15.917 13.528 6.553 1.00 0.00 C ATOM 897 O LEU A 56 14.909 13.977 6.007 1.00 0.00 O ATOM 898 CB LEU A 56 16.141 14.095 8.984 1.00 0.00 C ATOM 899 CG LEU A 56 15.496 13.964 10.380 1.00 0.00 C ATOM 900 CD1 LEU A 56 13.963 14.030 10.322 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.925 12.694 11.125 1.00 0.00 C ATOM 0 H LEU A 56 17.527 12.056 8.758 1.00 0.00 H new ATOM 0 HA LEU A 56 14.807 12.617 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.223 14.142 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.829 15.046 8.551 1.00 0.00 H new ATOM 0 HG LEU A 56 15.865 14.823 10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.556 13.933 11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.656 14.985 9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.587 13.218 9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.437 12.661 12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.637 11.817 10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.006 12.700 11.261 1.00 0.00 H new ATOM 913 N GLN A 57 17.106 13.507 5.942 1.00 0.00 N ATOM 914 CA GLN A 57 17.293 14.084 4.619 1.00 0.00 C ATOM 915 C GLN A 57 16.819 13.118 3.535 1.00 0.00 C ATOM 916 O GLN A 57 16.188 13.569 2.580 1.00 0.00 O ATOM 917 CB GLN A 57 18.746 14.534 4.420 1.00 0.00 C ATOM 918 CG GLN A 57 19.116 15.641 5.421 1.00 0.00 C ATOM 919 CD GLN A 57 20.323 16.446 4.946 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.173 17.497 4.332 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.533 15.970 5.185 1.00 0.00 N ATOM 0 H GLN A 57 17.948 13.096 6.346 1.00 0.00 H new ATOM 0 HA GLN A 57 16.675 14.978 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.416 13.683 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.883 14.898 3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.265 16.307 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.333 15.197 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.645 15.095 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.355 16.478 4.858 1.00 0.00 H new ATOM 930 N SER A 58 17.034 11.805 3.688 1.00 0.00 N ATOM 931 CA SER A 58 16.409 10.833 2.796 1.00 0.00 C ATOM 932 C SER A 58 14.888 10.908 2.931 1.00 0.00 C ATOM 933 O SER A 58 14.188 10.858 1.922 1.00 0.00 O ATOM 934 CB SER A 58 16.900 9.420 3.101 1.00 0.00 C ATOM 935 OG SER A 58 16.888 9.194 4.491 1.00 0.00 O ATOM 0 H SER A 58 17.628 11.400 4.412 1.00 0.00 H new ATOM 0 HA SER A 58 16.689 11.073 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.264 8.690 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.909 9.285 2.711 1.00 0.00 H new ATOM 0 HG SER A 58 16.507 8.310 4.675 1.00 0.00 H new ATOM 941 N ASN A 59 14.363 11.079 4.151 1.00 0.00 N ATOM 942 CA ASN A 59 12.935 11.284 4.369 1.00 0.00 C ATOM 943 C ASN A 59 12.430 12.511 3.617 1.00 0.00 C ATOM 944 O ASN A 59 11.445 12.417 2.891 1.00 0.00 O ATOM 945 CB ASN A 59 12.615 11.382 5.866 1.00 0.00 C ATOM 946 CG ASN A 59 11.175 11.829 6.101 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.230 11.107 5.804 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.981 13.020 6.640 1.00 0.00 N ATOM 0 H ASN A 59 14.917 11.078 5.007 1.00 0.00 H new ATOM 0 HA ASN A 59 12.411 10.415 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.778 10.413 6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.298 12.087 6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.033 13.352 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.780 13.607 6.881 1.00 0.00 H new ATOM 955 N ALA A 60 13.115 13.648 3.730 1.00 0.00 N ATOM 956 CA ALA A 60 12.730 14.851 2.998 1.00 0.00 C ATOM 957 C ALA A 60 12.736 14.605 1.486 1.00 0.00 C ATOM 958 O ALA A 60 11.787 14.978 0.795 1.00 0.00 O ATOM 959 CB ALA A 60 13.640 16.019 3.383 1.00 0.00 C ATOM 0 H ALA A 60 13.939 13.760 4.321 1.00 0.00 H new ATOM 0 HA ALA A 60 11.709 15.113 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.342 16.910 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.554 16.210 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.673 15.770 3.141 1.00 0.00 H new ATOM 965 N ALA A 61 13.769 13.933 0.979 1.00 0.00 N ATOM 966 CA ALA A 61 13.875 13.593 -0.434 1.00 0.00 C ATOM 967 C ALA A 61 12.750 12.647 -0.877 1.00 0.00 C ATOM 968 O ALA A 61 12.214 12.810 -1.973 1.00 0.00 O ATOM 969 CB ALA A 61 15.244 12.976 -0.717 1.00 0.00 C ATOM 0 H ALA A 61 14.557 13.609 1.541 1.00 0.00 H new ATOM 0 HA ALA A 61 13.770 14.511 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.318 12.724 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.026 13.691 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.367 12.073 -0.119 1.00 0.00 H new ATOM 975 N LYS A 62 12.361 11.684 -0.034 1.00 0.00 N ATOM 976 CA LYS A 62 11.222 10.807 -0.285 1.00 0.00 C ATOM 977 C LYS A 62 9.971 11.657 -0.453 1.00 0.00 C ATOM 978 O LYS A 62 9.297 11.533 -1.473 1.00 0.00 O ATOM 979 CB LYS A 62 11.077 9.768 0.847 1.00 0.00 C ATOM 980 CG LYS A 62 9.760 8.975 0.782 1.00 0.00 C ATOM 981 CD LYS A 62 9.553 8.140 2.050 1.00 0.00 C ATOM 982 CE LYS A 62 8.165 7.481 2.089 1.00 0.00 C ATOM 983 NZ LYS A 62 7.054 8.460 2.224 1.00 0.00 N ATOM 0 H LYS A 62 12.835 11.493 0.849 1.00 0.00 H new ATOM 0 HA LYS A 62 11.379 10.244 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.915 9.072 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.139 10.278 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.924 9.663 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.769 8.321 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.321 7.369 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.676 8.776 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.020 6.901 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.126 6.780 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.312 8.061 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.415 9.339 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.657 8.666 1.285 1.00 0.00 H new ATOM 997 N GLU A 63 9.656 12.520 0.515 1.00 0.00 N ATOM 998 CA GLU A 63 8.436 13.321 0.455 1.00 0.00 C ATOM 999 C GLU A 63 8.443 14.223 -0.787 1.00 0.00 C ATOM 1000 O GLU A 63 7.395 14.460 -1.389 1.00 0.00 O ATOM 1001 CB GLU A 63 8.264 14.162 1.733 1.00 0.00 C ATOM 1002 CG GLU A 63 8.127 13.352 3.034 1.00 0.00 C ATOM 1003 CD GLU A 63 7.006 12.301 2.988 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.812 12.681 3.024 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.309 11.088 2.934 1.00 0.00 O ATOM 0 H GLU A 63 10.227 12.680 1.345 1.00 0.00 H new ATOM 0 HA GLU A 63 7.588 12.639 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.120 14.830 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.381 14.790 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.073 12.853 3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.938 14.037 3.861 1.00 0.00 H new ATOM 1012 N ALA A 64 9.625 14.700 -1.187 1.00 0.00 N ATOM 1013 CA ALA A 64 9.803 15.580 -2.329 1.00 0.00 C ATOM 1014 C ALA A 64 9.625 14.871 -3.678 1.00 0.00 C ATOM 1015 O ALA A 64 9.073 15.480 -4.596 1.00 0.00 O ATOM 1016 CB ALA A 64 11.204 16.186 -2.263 1.00 0.00 C ATOM 0 H ALA A 64 10.499 14.476 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 64 9.029 16.346 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.354 16.850 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.312 16.752 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.947 15.389 -2.290 1.00 0.00 H new ATOM 1022 N LEU A 65 10.083 13.618 -3.821 1.00 0.00 N ATOM 1023 CA LEU A 65 10.162 12.946 -5.126 1.00 0.00 C ATOM 1024 C LEU A 65 9.252 11.725 -5.265 1.00 0.00 C ATOM 1025 O LEU A 65 9.160 11.184 -6.367 1.00 0.00 O ATOM 1026 CB LEU A 65 11.621 12.579 -5.472 1.00 0.00 C ATOM 1027 CG LEU A 65 12.574 13.765 -5.714 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.960 13.230 -6.095 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.103 14.707 -6.832 1.00 0.00 C ATOM 0 H LEU A 65 10.407 13.046 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 65 9.789 13.674 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.025 11.973 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.616 11.954 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 65 12.598 14.337 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.638 14.066 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.346 12.611 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.882 12.633 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.820 15.519 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.027 14.152 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.127 15.119 -6.574 1.00 0.00 H new ATOM 1041 N GLN A 66 8.538 11.292 -4.221 1.00 0.00 N ATOM 1042 CA GLN A 66 7.474 10.305 -4.416 1.00 0.00 C ATOM 1043 C GLN A 66 6.472 10.863 -5.437 1.00 0.00 C ATOM 1044 O GLN A 66 5.980 11.985 -5.291 1.00 0.00 O ATOM 1045 CB GLN A 66 6.766 9.934 -3.101 1.00 0.00 C ATOM 1046 CG GLN A 66 7.473 8.798 -2.343 1.00 0.00 C ATOM 1047 CD GLN A 66 6.648 8.297 -1.158 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.096 9.073 -0.383 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.562 6.993 -0.944 1.00 0.00 N ATOM 0 H GLN A 66 8.672 11.600 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 66 7.921 9.384 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.714 10.815 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.740 9.637 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.664 7.971 -3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.442 9.148 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.017 6.340 -1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.041 6.641 -0.141 1.00 0.00 H new ATOM 1058 N GLY A 67 6.184 10.074 -6.473 1.00 0.00 N ATOM 1059 CA GLY A 67 5.266 10.421 -7.550 1.00 0.00 C ATOM 1060 C GLY A 67 5.914 11.233 -8.680 1.00 0.00 C ATOM 1061 O GLY A 67 5.220 11.572 -9.640 1.00 0.00 O ATOM 0 H GLY A 67 6.598 9.148 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.848 9.505 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.434 10.991 -7.136 1.00 0.00 H new ATOM 1065 N PHE A 68 7.207 11.566 -8.598 1.00 0.00 N ATOM 1066 CA PHE A 68 7.887 12.390 -9.592 1.00 0.00 C ATOM 1067 C PHE A 68 8.023 11.605 -10.894 1.00 0.00 C ATOM 1068 O PHE A 68 8.621 10.529 -10.900 1.00 0.00 O ATOM 1069 CB PHE A 68 9.263 12.802 -9.048 1.00 0.00 C ATOM 1070 CG PHE A 68 10.072 13.675 -9.984 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.915 15.074 -9.959 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.989 13.090 -10.877 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.670 15.883 -10.826 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.735 13.900 -11.750 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.578 15.297 -11.724 1.00 0.00 C ATOM 0 H PHE A 68 7.811 11.267 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 68 7.310 13.292 -9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.123 13.333 -8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.836 11.902 -8.825 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.214 15.526 -9.273 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.119 12.018 -10.891 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.552 16.956 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.430 13.449 -12.442 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.154 15.919 -12.393 1.00 0.00 H new ATOM 1085 N LYS A 69 7.498 12.126 -12.005 1.00 0.00 N ATOM 1086 CA LYS A 69 7.729 11.539 -13.328 1.00 0.00 C ATOM 1087 C LYS A 69 9.213 11.651 -13.646 1.00 0.00 C ATOM 1088 O LYS A 69 9.701 12.746 -13.929 1.00 0.00 O ATOM 1089 CB LYS A 69 6.903 12.229 -14.433 1.00 0.00 C ATOM 1090 CG LYS A 69 5.674 11.418 -14.857 1.00 0.00 C ATOM 1091 CD LYS A 69 4.582 11.327 -13.784 1.00 0.00 C ATOM 1092 CE LYS A 69 3.529 10.274 -14.160 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.661 10.681 -15.295 1.00 0.00 N ATOM 0 H LYS A 69 6.907 12.957 -12.015 1.00 0.00 H new ATOM 0 HA LYS A 69 7.410 10.497 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.581 13.209 -14.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.538 12.397 -15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.249 11.866 -15.755 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.992 10.410 -15.123 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.031 11.072 -12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.103 12.299 -13.664 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.034 9.342 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.904 10.070 -13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.788 10.116 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.422 11.689 -15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.164 10.523 -16.191 1.00 0.00 H new ATOM 1107 N ILE A 70 9.922 10.524 -13.620 1.00 0.00 N ATOM 1108 CA ILE A 70 11.292 10.474 -14.125 1.00 0.00 C ATOM 1109 C ILE A 70 11.165 10.626 -15.650 1.00 0.00 C ATOM 1110 O ILE A 70 11.872 11.432 -16.255 1.00 0.00 O ATOM 1111 CB ILE A 70 11.986 9.178 -13.680 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.030 9.071 -12.143 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.414 9.151 -14.244 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.451 7.686 -11.647 1.00 0.00 C ATOM 0 H ILE A 70 9.572 9.637 -13.256 1.00 0.00 H new ATOM 0 HA ILE A 70 11.926 11.267 -13.728 1.00 0.00 H new ATOM 0 HB ILE A 70 11.418 8.330 -14.061 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.724 9.816 -11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.046 9.310 -11.740 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.911 8.233 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.376 9.190 -15.333 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.970 10.011 -13.869 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.462 7.678 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.744 6.940 -12.009 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.448 7.453 -12.022 1.00 0.00 H new ATOM 1126 N THR A 71 10.207 9.910 -16.249 1.00 0.00 N ATOM 1127 CA THR A 71 9.762 10.079 -17.626 1.00 0.00 C ATOM 1128 C THR A 71 8.229 10.066 -17.583 1.00 0.00 C ATOM 1129 O THR A 71 7.685 9.619 -16.569 1.00 0.00 O ATOM 1130 CB THR A 71 10.361 9.006 -18.552 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.080 7.698 -18.096 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.879 9.146 -18.697 1.00 0.00 C ATOM 0 H THR A 71 9.703 9.168 -15.763 1.00 0.00 H new ATOM 0 HA THR A 71 10.111 11.020 -18.051 1.00 0.00 H new ATOM 0 HB THR A 71 9.890 9.166 -19.522 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.475 7.045 -18.711 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.255 8.366 -19.360 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.116 10.124 -19.116 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.349 9.047 -17.718 1.00 0.00 H new ATOM 1140 N PRO A 72 7.515 10.554 -18.620 1.00 0.00 N ATOM 1141 CA PRO A 72 6.068 10.792 -18.595 1.00 0.00 C ATOM 1142 C PRO A 72 5.170 9.674 -18.053 1.00 0.00 C ATOM 1143 O PRO A 72 4.050 9.966 -17.632 1.00 0.00 O ATOM 1144 CB PRO A 72 5.688 11.144 -20.036 1.00 0.00 C ATOM 1145 CG PRO A 72 6.939 11.850 -20.546 1.00 0.00 C ATOM 1146 CD PRO A 72 8.064 11.068 -19.872 1.00 0.00 C ATOM 0 HA PRO A 72 5.885 11.585 -17.870 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.456 10.255 -20.623 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.812 11.791 -20.078 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.012 11.809 -21.633 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.953 12.903 -20.265 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.407 10.253 -20.510 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.925 11.710 -19.684 1.00 0.00 H new ATOM 1154 N THR A 73 5.632 8.425 -18.024 1.00 0.00 N ATOM 1155 CA THR A 73 4.848 7.252 -17.657 1.00 0.00 C ATOM 1156 C THR A 73 5.474 6.483 -16.483 1.00 0.00 C ATOM 1157 O THR A 73 5.029 5.378 -16.164 1.00 0.00 O ATOM 1158 CB THR A 73 4.661 6.389 -18.924 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.894 6.258 -19.618 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.645 7.024 -19.882 1.00 0.00 C ATOM 0 H THR A 73 6.597 8.196 -18.264 1.00 0.00 H new ATOM 0 HA THR A 73 3.867 7.555 -17.290 1.00 0.00 H new ATOM 0 HB THR A 73 4.299 5.413 -18.600 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.614 6.084 -18.976 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.534 6.394 -20.765 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.682 7.119 -19.380 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.996 8.011 -20.183 1.00 0.00 H new ATOM 1168 N HIS A 74 6.472 7.065 -15.805 1.00 0.00 N ATOM 1169 CA HIS A 74 7.233 6.410 -14.751 1.00 0.00 C ATOM 1170 C HIS A 74 7.344 7.358 -13.565 1.00 0.00 C ATOM 1171 O HIS A 74 8.368 8.013 -13.346 1.00 0.00 O ATOM 1172 CB HIS A 74 8.586 5.930 -15.277 1.00 0.00 C ATOM 1173 CG HIS A 74 8.453 4.937 -16.401 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.538 5.224 -17.742 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.198 3.595 -16.289 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.337 4.087 -18.426 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.132 3.057 -17.582 1.00 0.00 N ATOM 0 H HIS A 74 6.773 8.023 -15.983 1.00 0.00 H new ATOM 0 HA HIS A 74 6.718 5.512 -14.409 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.162 6.788 -15.622 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.148 5.476 -14.461 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.722 6.142 -18.147 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.070 3.048 -15.367 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.339 4.009 -19.503 1.00 0.00 H new ATOM 1185 N ALA A 75 6.230 7.475 -12.838 1.00 0.00 N ATOM 1186 CA ALA A 75 6.186 8.150 -11.553 1.00 0.00 C ATOM 1187 C ALA A 75 7.015 7.326 -10.564 1.00 0.00 C ATOM 1188 O ALA A 75 6.633 6.204 -10.220 1.00 0.00 O ATOM 1189 CB ALA A 75 4.734 8.281 -11.077 1.00 0.00 C ATOM 0 H ALA A 75 5.329 7.098 -13.133 1.00 0.00 H new ATOM 0 HA ALA A 75 6.597 9.156 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.712 8.788 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.163 8.859 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.294 7.289 -10.975 1.00 0.00 H new ATOM 1195 N MET A 76 8.144 7.880 -10.131 1.00 0.00 N ATOM 1196 CA MET A 76 9.029 7.329 -9.120 1.00 0.00 C ATOM 1197 C MET A 76 8.238 6.900 -7.887 1.00 0.00 C ATOM 1198 O MET A 76 7.531 7.717 -7.290 1.00 0.00 O ATOM 1199 CB MET A 76 10.038 8.424 -8.746 1.00 0.00 C ATOM 1200 CG MET A 76 11.122 7.950 -7.777 1.00 0.00 C ATOM 1201 SD MET A 76 12.232 9.266 -7.206 1.00 0.00 S ATOM 1202 CE MET A 76 12.998 9.846 -8.743 1.00 0.00 C ATOM 0 H MET A 76 8.480 8.771 -10.497 1.00 0.00 H new ATOM 0 HA MET A 76 9.540 6.447 -9.506 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.512 8.796 -9.654 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.503 9.262 -8.299 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.645 7.491 -6.911 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.715 7.175 -8.263 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.643 10.698 -8.529 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.591 9.042 -9.180 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.221 10.147 -9.446 1.00 0.00 H new ATOM 1212 N LYS A 77 8.392 5.646 -7.467 1.00 0.00 N ATOM 1213 CA LYS A 77 7.886 5.159 -6.197 1.00 0.00 C ATOM 1214 C LYS A 77 9.108 4.982 -5.302 1.00 0.00 C ATOM 1215 O LYS A 77 10.184 4.628 -5.787 1.00 0.00 O ATOM 1216 CB LYS A 77 7.114 3.855 -6.436 1.00 0.00 C ATOM 1217 CG LYS A 77 6.250 3.514 -5.216 1.00 0.00 C ATOM 1218 CD LYS A 77 5.369 2.271 -5.410 1.00 0.00 C ATOM 1219 CE LYS A 77 6.229 1.003 -5.455 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.427 -0.245 -5.459 1.00 0.00 N ATOM 0 H LYS A 77 8.879 4.934 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 77 7.186 5.842 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.484 3.955 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.813 3.042 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.899 3.357 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.613 4.367 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.648 2.199 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.799 2.363 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.856 1.028 -6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.899 0.995 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.064 -1.067 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.848 -0.288 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.806 -0.256 -6.293 1.00 0.00 H new ATOM 1234 N ILE A 78 8.958 5.252 -4.008 1.00 0.00 N ATOM 1235 CA ILE A 78 10.045 5.272 -3.037 1.00 0.00 C ATOM 1236 C ILE A 78 9.528 4.540 -1.802 1.00 0.00 C ATOM 1237 O ILE A 78 8.369 4.722 -1.419 1.00 0.00 O ATOM 1238 CB ILE A 78 10.455 6.731 -2.690 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.717 7.598 -3.948 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.661 6.768 -1.733 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.123 9.049 -3.673 1.00 0.00 C ATOM 0 H ILE A 78 8.051 5.469 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 78 10.937 4.788 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 78 9.600 7.172 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.502 7.124 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.816 7.601 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.919 7.804 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.406 6.253 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.512 6.274 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.282 9.568 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.332 9.549 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.044 9.065 -3.091 1.00 0.00 H new ATOM 1253 N THR A 79 10.414 3.793 -1.155 1.00 0.00 N ATOM 1254 CA THR A 79 10.245 3.162 0.145 1.00 0.00 C ATOM 1255 C THR A 79 11.579 3.328 0.884 1.00 0.00 C ATOM 1256 O THR A 79 12.627 3.454 0.245 1.00 0.00 O ATOM 1257 CB THR A 79 9.862 1.671 -0.026 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.319 1.113 -1.252 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.346 1.472 0.000 1.00 0.00 C ATOM 0 H THR A 79 11.333 3.600 -1.554 1.00 0.00 H new ATOM 0 HA THR A 79 9.438 3.622 0.716 1.00 0.00 H new ATOM 0 HB THR A 79 10.345 1.169 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.050 0.172 -1.303 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.116 0.414 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.949 1.821 0.953 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.891 2.039 -0.812 1.00 0.00 H new ATOM 1267 N PHE A 80 11.581 3.339 2.218 1.00 0.00 N ATOM 1268 CA PHE A 80 12.836 3.274 2.959 1.00 0.00 C ATOM 1269 C PHE A 80 13.412 1.867 2.795 1.00 0.00 C ATOM 1270 O PHE A 80 12.693 0.880 2.965 1.00 0.00 O ATOM 1271 CB PHE A 80 12.612 3.626 4.434 1.00 0.00 C ATOM 1272 CG PHE A 80 12.257 5.082 4.659 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.247 6.076 4.531 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.935 5.454 4.969 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.917 7.432 4.693 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.607 6.808 5.150 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.594 7.796 5.005 1.00 0.00 C ATOM 0 H PHE A 80 10.743 3.391 2.797 1.00 0.00 H new ATOM 0 HA PHE A 80 13.546 4.002 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.814 3.000 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.514 3.389 4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.265 5.794 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.171 4.697 5.068 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.676 8.192 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.595 7.089 5.401 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.337 8.837 5.133 1.00 0.00 H new ATOM 1287 N ALA A 81 14.699 1.775 2.448 1.00 0.00 N ATOM 1288 CA ALA A 81 15.423 0.509 2.477 1.00 0.00 C ATOM 1289 C ALA A 81 15.746 0.180 3.942 1.00 0.00 C ATOM 1290 O ALA A 81 15.482 0.987 4.838 1.00 0.00 O ATOM 1291 CB ALA A 81 16.694 0.614 1.627 1.00 0.00 C ATOM 0 H ALA A 81 15.260 2.570 2.142 1.00 0.00 H new ATOM 0 HA ALA A 81 14.819 -0.294 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.229 -0.335 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.425 0.850 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.333 1.402 2.024 1.00 0.00 H new