USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 969 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 55 GLN : amide:sc= -0.0861 K(o=0.94,f=-6.2!) USER MOD Set 1.2: B 66 GLN : amide:sc= 1.03 K(o=0.94,f=-6.2) USER MOD Set 2.1: B 47 THR OG1 : rot -68:sc= 1.27 USER MOD Set 2.2: B 48 SER OG : rot -150:sc= -0.0839 USER MOD Set 3.1: A 43 ASN : amide:sc= -0.458 K(o=0.78,f=-0.93!) USER MOD Set 3.2: A 47 THR OG1 : rot -75:sc= 1.24 USER MOD Set 3.3: A 48 SER OG : rot 83:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0509 K(o=-0.051,f=-0.66) USER MOD Single : A 14 GLN : amide:sc= 0.588 K(o=0.59,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.073) USER MOD Single : A 26 HIS : no HD1:sc= -0.208! C(o=-0.21!,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00152 USER MOD Single : A 33 SER OG : rot 73:sc= 0.828 USER MOD Single : A 35 MET CE :methyl 161:sc= -0.0974 (180deg=-0.656) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 MET CE :methyl 180:sc= -0.0371 (180deg=-0.0371) USER MOD Single : A 42 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 46 ASN : amide:sc= 2.28 K(o=2.3,f=-4.9!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 59 ASN : amide:sc= 1.17 K(o=1.2,f=-0.023) USER MOD Single : A 60 SER OG : rot 75:sc= 1.23 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -37:sc= 0.357 USER MOD Single : A 68 SER OG : rot 74:sc= 1.26 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 11 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : B 14 GLN :FLIP amide:sc= -1.01 F(o=-5.6!,f=-1) USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : B 25 LYS NZ :NH3+ -155:sc= -0.119 (180deg=-0.64) USER MOD Single : B 26 HIS : no HD1:sc= -0.378 X(o=-0.38,f=0.005) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 68:sc= 0.815 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 ASN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : B 40 MET CE :methyl -156:sc= -1.6 (180deg=-2.68) USER MOD Single : B 42 THR OG1 : rot 88:sc= 1.29 USER MOD Single : B 43 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0013) USER MOD Single : B 46 ASN : amide:sc= -0.257 K(o=-0.26,f=-11!) USER MOD Single : B 53 GLN :FLIP amide:sc= -0.922 F(o=-1.5!,f=-0.92) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : B 60 SER OG : rot 78:sc= 1.15 USER MOD Single : B 67 SER OG : rot 80:sc= 1.23 USER MOD Single : B 68 SER OG : rot 80:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -12.645 8.043 13.465 1.00 0.00 N ATOM 138 CA ASP A 9 -13.060 8.013 12.063 1.00 0.00 C ATOM 139 C ASP A 9 -12.956 9.395 11.438 1.00 0.00 C ATOM 140 O ASP A 9 -12.754 9.526 10.235 1.00 0.00 O ATOM 141 CB ASP A 9 -14.494 7.489 11.918 1.00 0.00 C ATOM 142 CG ASP A 9 -14.597 5.992 12.119 1.00 0.00 C ATOM 143 OD1 ASP A 9 -14.276 5.237 11.172 1.00 0.00 O ATOM 144 OD2 ASP A 9 -15.008 5.562 13.219 1.00 0.00 O ATOM 0 HA ASP A 9 -12.387 7.334 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.135 7.993 12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.870 7.744 10.927 1.00 0.00 H new ATOM 149 N GLU A 10 -13.097 10.424 12.261 1.00 0.00 N ATOM 150 CA GLU A 10 -12.938 11.796 11.802 1.00 0.00 C ATOM 151 C GLU A 10 -11.542 12.012 11.235 1.00 0.00 C ATOM 152 O GLU A 10 -11.381 12.447 10.099 1.00 0.00 O ATOM 153 CB GLU A 10 -13.181 12.776 12.948 1.00 0.00 C ATOM 154 CG GLU A 10 -14.613 12.779 13.443 1.00 0.00 C ATOM 155 CD GLU A 10 -15.594 13.052 12.328 1.00 0.00 C ATOM 156 OE1 GLU A 10 -15.724 14.222 11.916 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.219 12.093 11.840 1.00 0.00 O ATOM 0 H GLU A 10 -13.322 10.334 13.252 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.673 11.976 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.518 12.526 13.777 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.916 13.781 12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.841 11.816 13.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.727 13.535 14.220 1.00 0.00 H new ATOM 164 N GLN A 11 -10.543 11.673 12.034 1.00 0.00 N ATOM 165 CA GLN A 11 -9.151 11.888 11.665 1.00 0.00 C ATOM 166 C GLN A 11 -8.744 10.972 10.514 1.00 0.00 C ATOM 167 O GLN A 11 -8.157 11.422 9.532 1.00 0.00 O ATOM 168 CB GLN A 11 -8.256 11.637 12.881 1.00 0.00 C ATOM 169 CG GLN A 11 -6.793 11.985 12.660 1.00 0.00 C ATOM 170 CD GLN A 11 -5.943 11.690 13.880 1.00 0.00 C ATOM 171 OE1 GLN A 11 -6.424 11.728 15.014 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.672 11.408 13.661 1.00 0.00 N ATOM 0 H GLN A 11 -10.671 11.244 12.950 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.033 12.919 11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.633 12.219 13.722 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.330 10.586 13.162 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.412 11.421 11.809 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.707 13.042 12.406 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.311 11.386 12.707 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.051 11.212 14.446 1.00 0.00 H new ATOM 181 N VAL A 12 -9.082 9.692 10.632 1.00 0.00 N ATOM 182 CA VAL A 12 -8.667 8.691 9.653 1.00 0.00 C ATOM 183 C VAL A 12 -9.338 8.907 8.298 1.00 0.00 C ATOM 184 O VAL A 12 -8.659 9.045 7.277 1.00 0.00 O ATOM 185 CB VAL A 12 -8.973 7.261 10.146 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.538 6.226 9.117 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.291 7.000 11.480 1.00 0.00 C ATOM 0 H VAL A 12 -9.644 9.322 11.398 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.590 8.808 9.533 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.051 7.174 10.282 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.764 5.226 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.072 6.396 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.466 6.314 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.518 5.987 11.813 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.213 7.112 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.653 7.714 12.220 1.00 0.00 H new ATOM 197 N GLU A 13 -10.666 8.947 8.290 1.00 0.00 N ATOM 198 CA GLU A 13 -11.418 9.043 7.044 1.00 0.00 C ATOM 199 C GLU A 13 -11.105 10.354 6.332 1.00 0.00 C ATOM 200 O GLU A 13 -10.866 10.359 5.129 1.00 0.00 O ATOM 201 CB GLU A 13 -12.923 8.914 7.313 1.00 0.00 C ATOM 202 CG GLU A 13 -13.750 8.468 6.110 1.00 0.00 C ATOM 203 CD GLU A 13 -13.848 9.515 5.015 1.00 0.00 C ATOM 204 OE1 GLU A 13 -14.264 10.654 5.314 1.00 0.00 O ATOM 205 OE2 GLU A 13 -13.522 9.199 3.852 1.00 0.00 O ATOM 0 H GLU A 13 -11.243 8.915 9.130 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.117 8.222 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.074 8.202 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.300 9.876 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.311 7.561 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.755 8.211 6.446 1.00 0.00 H new ATOM 212 N GLN A 14 -11.075 11.459 7.072 1.00 0.00 N ATOM 213 CA GLN A 14 -10.793 12.754 6.467 1.00 0.00 C ATOM 214 C GLN A 14 -9.390 12.780 5.869 1.00 0.00 C ATOM 215 O GLN A 14 -9.178 13.344 4.798 1.00 0.00 O ATOM 216 CB GLN A 14 -10.943 13.886 7.482 1.00 0.00 C ATOM 217 CG GLN A 14 -11.962 14.938 7.068 1.00 0.00 C ATOM 218 CD GLN A 14 -11.755 15.421 5.645 1.00 0.00 C ATOM 219 OE1 GLN A 14 -12.340 14.883 4.702 1.00 0.00 O ATOM 220 NE2 GLN A 14 -10.913 16.429 5.477 1.00 0.00 N ATOM 0 H GLN A 14 -11.240 11.483 8.078 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.521 12.906 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.237 13.465 8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.975 14.366 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.966 14.524 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.900 15.787 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.449 16.846 6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.728 16.788 4.540 1.00 0.00 H new ATOM 229 N LEU A 15 -8.437 12.159 6.558 1.00 0.00 N ATOM 230 CA LEU A 15 -7.069 12.071 6.061 1.00 0.00 C ATOM 231 C LEU A 15 -7.060 11.320 4.731 1.00 0.00 C ATOM 232 O LEU A 15 -6.452 11.762 3.755 1.00 0.00 O ATOM 233 CB LEU A 15 -6.180 11.362 7.098 1.00 0.00 C ATOM 234 CG LEU A 15 -4.665 11.577 6.967 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.963 11.142 8.242 1.00 0.00 C ATOM 236 CD2 LEU A 15 -4.097 10.808 5.785 1.00 0.00 C ATOM 0 H LEU A 15 -8.587 11.710 7.461 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.671 13.073 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.486 11.691 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.378 10.292 7.042 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.493 12.640 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.889 11.299 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.336 11.729 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.159 10.085 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.023 10.982 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.285 9.743 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.575 11.147 4.866 1.00 0.00 H new ATOM 248 N LEU A 16 -7.763 10.194 4.701 1.00 0.00 N ATOM 249 CA LEU A 16 -7.866 9.382 3.495 1.00 0.00 C ATOM 250 C LEU A 16 -8.607 10.140 2.394 1.00 0.00 C ATOM 251 O LEU A 16 -8.220 10.090 1.226 1.00 0.00 O ATOM 252 CB LEU A 16 -8.587 8.067 3.808 1.00 0.00 C ATOM 253 CG LEU A 16 -8.712 7.095 2.633 1.00 0.00 C ATOM 254 CD1 LEU A 16 -7.337 6.724 2.101 1.00 0.00 C ATOM 255 CD2 LEU A 16 -9.473 5.848 3.054 1.00 0.00 C ATOM 0 H LEU A 16 -8.272 9.821 5.502 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.859 9.160 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.058 7.566 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.587 8.298 4.175 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.269 7.587 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.445 6.032 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.823 7.624 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.756 6.250 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.553 5.167 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.941 5.354 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.471 6.127 3.390 1.00 0.00 H new ATOM 267 N ALA A 17 -9.665 10.843 2.778 1.00 0.00 N ATOM 268 CA ALA A 17 -10.454 11.627 1.838 1.00 0.00 C ATOM 269 C ALA A 17 -9.597 12.689 1.160 1.00 0.00 C ATOM 270 O ALA A 17 -9.677 12.871 -0.051 1.00 0.00 O ATOM 271 CB ALA A 17 -11.640 12.271 2.543 1.00 0.00 C ATOM 0 H ALA A 17 -9.998 10.886 3.741 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.831 10.953 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.218 12.853 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.272 11.495 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.280 12.927 3.335 1.00 0.00 H new ATOM 277 N GLU A 18 -8.769 13.372 1.946 1.00 0.00 N ATOM 278 CA GLU A 18 -7.853 14.374 1.411 1.00 0.00 C ATOM 279 C GLU A 18 -6.941 13.761 0.352 1.00 0.00 C ATOM 280 O GLU A 18 -6.759 14.327 -0.726 1.00 0.00 O ATOM 281 CB GLU A 18 -7.009 14.984 2.533 1.00 0.00 C ATOM 282 CG GLU A 18 -7.807 15.813 3.528 1.00 0.00 C ATOM 283 CD GLU A 18 -8.462 17.023 2.894 1.00 0.00 C ATOM 284 OE1 GLU A 18 -7.757 17.798 2.213 1.00 0.00 O ATOM 285 OE2 GLU A 18 -9.680 17.223 3.087 1.00 0.00 O ATOM 0 H GLU A 18 -8.714 13.249 2.957 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.448 15.161 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.501 14.182 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.235 15.612 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.575 15.187 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.147 16.142 4.331 1.00 0.00 H new ATOM 292 N LEU A 19 -6.386 12.592 0.659 1.00 0.00 N ATOM 293 CA LEU A 19 -5.485 11.904 -0.261 1.00 0.00 C ATOM 294 C LEU A 19 -6.219 11.477 -1.530 1.00 0.00 C ATOM 295 O LEU A 19 -5.749 11.723 -2.642 1.00 0.00 O ATOM 296 CB LEU A 19 -4.863 10.678 0.414 1.00 0.00 C ATOM 297 CG LEU A 19 -4.008 10.969 1.650 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.469 9.674 2.238 1.00 0.00 C ATOM 299 CD2 LEU A 19 -2.867 11.914 1.304 1.00 0.00 C ATOM 0 H LEU A 19 -6.544 12.101 1.539 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.693 12.601 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.664 9.997 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.247 10.156 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.637 11.453 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.863 9.898 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.301 9.031 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.856 9.164 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.272 12.108 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.237 11.459 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.273 12.853 0.928 1.00 0.00 H new ATOM 311 N LEU A 20 -7.376 10.846 -1.355 1.00 0.00 N ATOM 312 CA LEU A 20 -8.173 10.375 -2.484 1.00 0.00 C ATOM 313 C LEU A 20 -8.634 11.542 -3.347 1.00 0.00 C ATOM 314 O LEU A 20 -8.664 11.445 -4.574 1.00 0.00 O ATOM 315 CB LEU A 20 -9.387 9.582 -1.991 1.00 0.00 C ATOM 316 CG LEU A 20 -9.064 8.282 -1.255 1.00 0.00 C ATOM 317 CD1 LEU A 20 -10.339 7.633 -0.747 1.00 0.00 C ATOM 318 CD2 LEU A 20 -8.310 7.326 -2.166 1.00 0.00 C ATOM 0 H LEU A 20 -7.784 10.649 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.544 9.721 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.972 10.220 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.019 9.348 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.429 8.517 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.093 6.708 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.845 8.313 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.995 7.411 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.089 6.406 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.922 7.096 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.378 7.790 -2.489 1.00 0.00 H new ATOM 330 N ASN A 21 -8.974 12.644 -2.692 1.00 0.00 N ATOM 331 CA ASN A 21 -9.429 13.842 -3.383 1.00 0.00 C ATOM 332 C ASN A 21 -8.349 14.369 -4.320 1.00 0.00 C ATOM 333 O ASN A 21 -8.627 14.710 -5.461 1.00 0.00 O ATOM 334 CB ASN A 21 -9.824 14.925 -2.374 1.00 0.00 C ATOM 335 CG ASN A 21 -10.396 16.163 -3.038 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.670 17.100 -3.368 1.00 0.00 O ATOM 337 ND2 ASN A 21 -11.703 16.172 -3.240 1.00 0.00 N ATOM 0 H ASN A 21 -8.943 12.733 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.304 13.578 -3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.559 14.518 -1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.950 15.204 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.145 16.977 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.269 15.374 -2.951 1.00 0.00 H new ATOM 344 N VAL A 22 -7.110 14.412 -3.838 1.00 0.00 N ATOM 345 CA VAL A 22 -5.993 14.889 -4.652 1.00 0.00 C ATOM 346 C VAL A 22 -5.740 13.946 -5.829 1.00 0.00 C ATOM 347 O VAL A 22 -5.330 14.378 -6.911 1.00 0.00 O ATOM 348 CB VAL A 22 -4.700 15.046 -3.817 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.548 15.547 -4.679 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.932 15.989 -2.647 1.00 0.00 C ATOM 0 H VAL A 22 -6.854 14.124 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.270 15.872 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.431 14.064 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.652 15.648 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.359 14.836 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.807 16.516 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.012 16.087 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.232 16.968 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.719 15.589 -2.008 1.00 0.00 H new ATOM 360 N LEU A 23 -6.009 12.662 -5.621 1.00 0.00 N ATOM 361 CA LEU A 23 -5.840 11.669 -6.675 1.00 0.00 C ATOM 362 C LEU A 23 -6.791 11.939 -7.835 1.00 0.00 C ATOM 363 O LEU A 23 -6.354 12.109 -8.972 1.00 0.00 O ATOM 364 CB LEU A 23 -6.060 10.252 -6.138 1.00 0.00 C ATOM 365 CG LEU A 23 -5.021 9.763 -5.129 1.00 0.00 C ATOM 366 CD1 LEU A 23 -5.335 8.342 -4.699 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.621 9.843 -5.723 1.00 0.00 C ATOM 0 H LEU A 23 -6.344 12.285 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.815 11.747 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.044 10.208 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.076 9.561 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.058 10.408 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.588 8.006 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.322 8.311 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.321 7.687 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.894 9.491 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.568 9.219 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.397 10.876 -5.989 1.00 0.00 H new ATOM 379 N GLU A 24 -8.086 12.006 -7.548 1.00 0.00 N ATOM 380 CA GLU A 24 -9.074 12.242 -8.594 1.00 0.00 C ATOM 381 C GLU A 24 -9.063 13.706 -9.029 1.00 0.00 C ATOM 382 O GLU A 24 -9.613 14.066 -10.067 1.00 0.00 O ATOM 383 CB GLU A 24 -10.471 11.785 -8.144 1.00 0.00 C ATOM 384 CG GLU A 24 -10.965 12.402 -6.841 1.00 0.00 C ATOM 385 CD GLU A 24 -11.624 13.752 -7.034 1.00 0.00 C ATOM 386 OE1 GLU A 24 -12.175 14.000 -8.129 1.00 0.00 O ATOM 387 OE2 GLU A 24 -11.611 14.564 -6.087 1.00 0.00 O ATOM 0 H GLU A 24 -8.473 11.902 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.805 11.643 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.185 12.021 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.464 10.701 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.675 11.722 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.124 12.510 -6.155 1.00 0.00 H new ATOM 394 N LYS A 25 -8.410 14.539 -8.231 1.00 0.00 N ATOM 395 CA LYS A 25 -8.191 15.938 -8.578 1.00 0.00 C ATOM 396 C LYS A 25 -7.291 16.027 -9.808 1.00 0.00 C ATOM 397 O LYS A 25 -7.461 16.894 -10.662 1.00 0.00 O ATOM 398 CB LYS A 25 -7.533 16.658 -7.403 1.00 0.00 C ATOM 399 CG LYS A 25 -7.608 18.170 -7.465 1.00 0.00 C ATOM 400 CD LYS A 25 -6.854 18.792 -6.303 1.00 0.00 C ATOM 401 CE LYS A 25 -7.208 20.257 -6.131 1.00 0.00 C ATOM 402 NZ LYS A 25 -8.563 20.439 -5.545 1.00 0.00 N ATOM 0 H LYS A 25 -8.019 14.267 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.148 16.411 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.004 16.322 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.485 16.361 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.188 18.522 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.650 18.489 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.086 18.250 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.781 18.693 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.468 20.735 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.162 20.757 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.686 21.431 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.284 20.192 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.668 19.822 -4.715 1.00 0.00 H new ATOM 416 N HIS A 26 -6.332 15.112 -9.885 1.00 0.00 N ATOM 417 CA HIS A 26 -5.418 15.049 -11.019 1.00 0.00 C ATOM 418 C HIS A 26 -5.893 14.017 -12.033 1.00 0.00 C ATOM 419 O HIS A 26 -5.584 14.119 -13.220 1.00 0.00 O ATOM 420 CB HIS A 26 -3.998 14.699 -10.560 1.00 0.00 C ATOM 421 CG HIS A 26 -3.284 15.815 -9.863 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.223 16.493 -10.424 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.463 16.356 -8.633 1.00 0.00 C ATOM 424 CE1 HIS A 26 -1.780 17.397 -9.571 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.516 17.332 -8.480 1.00 0.00 N ATOM 0 H HIS A 26 -6.167 14.401 -9.173 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.404 16.033 -11.488 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.046 13.840 -9.891 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.413 14.395 -11.428 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.212 16.070 -7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.955 18.074 -9.738 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.399 17.917 -7.652 1.00 0.00 H new ATOM 434 N LYS A 27 -6.645 13.031 -11.542 1.00 0.00 N ATOM 435 CA LYS A 27 -7.148 11.928 -12.360 1.00 0.00 C ATOM 436 C LYS A 27 -6.000 11.094 -12.914 1.00 0.00 C ATOM 437 O LYS A 27 -5.507 11.333 -14.019 1.00 0.00 O ATOM 438 CB LYS A 27 -8.049 12.434 -13.488 1.00 0.00 C ATOM 439 CG LYS A 27 -9.374 12.990 -12.992 1.00 0.00 C ATOM 440 CD LYS A 27 -10.137 13.703 -14.094 1.00 0.00 C ATOM 441 CE LYS A 27 -9.369 14.909 -14.603 1.00 0.00 C ATOM 442 NZ LYS A 27 -10.155 15.693 -15.587 1.00 0.00 N ATOM 0 H LYS A 27 -6.923 12.975 -10.562 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.753 11.289 -11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.523 13.209 -14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.243 11.618 -14.184 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.983 12.177 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.192 13.682 -12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.322 13.013 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.110 14.020 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.099 15.548 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.438 14.578 -15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.594 16.507 -15.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.391 15.091 -16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.032 16.031 -15.141 1.00 0.00 H new ATOM 456 N ALA A 28 -5.571 10.126 -12.120 1.00 0.00 N ATOM 457 CA ALA A 28 -4.464 9.259 -12.485 1.00 0.00 C ATOM 458 C ALA A 28 -4.943 7.821 -12.641 1.00 0.00 C ATOM 459 O ALA A 28 -5.881 7.399 -11.963 1.00 0.00 O ATOM 460 CB ALA A 28 -3.366 9.345 -11.433 1.00 0.00 C ATOM 0 H ALA A 28 -5.979 9.920 -11.208 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.059 9.590 -13.441 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.540 8.692 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.009 10.372 -11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.762 9.032 -10.467 1.00 0.00 H new ATOM 466 N PRO A 29 -4.321 7.059 -13.556 1.00 0.00 N ATOM 467 CA PRO A 29 -4.641 5.642 -13.761 1.00 0.00 C ATOM 468 C PRO A 29 -4.339 4.799 -12.521 1.00 0.00 C ATOM 469 O PRO A 29 -3.527 5.188 -11.675 1.00 0.00 O ATOM 470 CB PRO A 29 -3.730 5.226 -14.925 1.00 0.00 C ATOM 471 CG PRO A 29 -3.322 6.502 -15.577 1.00 0.00 C ATOM 472 CD PRO A 29 -3.274 7.523 -14.480 1.00 0.00 C ATOM 0 HA PRO A 29 -5.701 5.491 -13.963 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.862 4.672 -14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.257 4.577 -15.625 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.350 6.401 -16.060 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.034 6.791 -16.350 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.296 7.555 -14.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.479 8.527 -14.852 1.00 0.00 H new ATOM 480 N THR A 30 -4.985 3.645 -12.423 1.00 0.00 N ATOM 481 CA THR A 30 -4.848 2.781 -11.256 1.00 0.00 C ATOM 482 C THR A 30 -3.411 2.295 -11.084 1.00 0.00 C ATOM 483 O THR A 30 -2.866 2.332 -9.980 1.00 0.00 O ATOM 484 CB THR A 30 -5.785 1.565 -11.362 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.060 1.984 -11.863 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.969 0.902 -10.004 1.00 0.00 C ATOM 0 H THR A 30 -5.613 3.283 -13.141 1.00 0.00 H new ATOM 0 HA THR A 30 -5.123 3.376 -10.385 1.00 0.00 H new ATOM 0 HB THR A 30 -5.336 0.843 -12.044 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.655 1.209 -11.932 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.635 0.045 -10.105 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.002 0.568 -9.628 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.402 1.618 -9.305 1.00 0.00 H new ATOM 494 N ASP A 31 -2.792 1.861 -12.183 1.00 0.00 N ATOM 495 CA ASP A 31 -1.426 1.336 -12.135 1.00 0.00 C ATOM 496 C ASP A 31 -0.462 2.415 -11.654 1.00 0.00 C ATOM 497 O ASP A 31 0.451 2.149 -10.869 1.00 0.00 O ATOM 498 CB ASP A 31 -0.994 0.822 -13.512 1.00 0.00 C ATOM 499 CG ASP A 31 0.263 -0.029 -13.445 1.00 0.00 C ATOM 500 OD1 ASP A 31 0.142 -1.260 -13.256 1.00 0.00 O ATOM 501 OD2 ASP A 31 1.375 0.519 -13.588 1.00 0.00 O ATOM 0 H ASP A 31 -3.212 1.862 -13.113 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.405 0.503 -11.432 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.803 0.236 -13.948 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.821 1.670 -14.175 1.00 0.00 H new ATOM 506 N LEU A 32 -0.689 3.641 -12.113 1.00 0.00 N ATOM 507 CA LEU A 32 0.105 4.783 -11.680 1.00 0.00 C ATOM 508 C LEU A 32 -0.091 5.029 -10.189 1.00 0.00 C ATOM 509 O LEU A 32 0.878 5.173 -9.446 1.00 0.00 O ATOM 510 CB LEU A 32 -0.276 6.035 -12.480 1.00 0.00 C ATOM 511 CG LEU A 32 0.405 7.337 -12.037 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.919 7.194 -12.063 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.030 8.490 -12.927 1.00 0.00 C ATOM 0 H LEU A 32 -1.419 3.869 -12.787 1.00 0.00 H new ATOM 0 HA LEU A 32 1.157 4.562 -11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.038 5.860 -13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.356 6.171 -12.416 1.00 0.00 H new ATOM 0 HG LEU A 32 0.100 7.548 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.378 8.130 -11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.221 6.394 -11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.245 6.956 -13.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.461 9.407 -12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.247 8.277 -13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.111 8.614 -12.860 1.00 0.00 H new ATOM 525 N SER A 33 -1.347 5.053 -9.760 1.00 0.00 N ATOM 526 CA SER A 33 -1.680 5.291 -8.362 1.00 0.00 C ATOM 527 C SER A 33 -1.026 4.248 -7.453 1.00 0.00 C ATOM 528 O SER A 33 -0.489 4.584 -6.396 1.00 0.00 O ATOM 529 CB SER A 33 -3.199 5.279 -8.181 1.00 0.00 C ATOM 530 OG SER A 33 -3.815 6.241 -9.022 1.00 0.00 O ATOM 0 H SER A 33 -2.156 4.910 -10.365 1.00 0.00 H new ATOM 0 HA SER A 33 -1.293 6.270 -8.078 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.589 4.287 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.447 5.487 -7.140 1.00 0.00 H new ATOM 0 HG SER A 33 -3.782 5.932 -9.951 1.00 0.00 H new ATOM 536 N LEU A 34 -1.054 2.990 -7.881 1.00 0.00 N ATOM 537 CA LEU A 34 -0.435 1.909 -7.123 1.00 0.00 C ATOM 538 C LEU A 34 1.078 2.088 -7.057 1.00 0.00 C ATOM 539 O LEU A 34 1.696 1.837 -6.023 1.00 0.00 O ATOM 540 CB LEU A 34 -0.774 0.550 -7.742 1.00 0.00 C ATOM 541 CG LEU A 34 -2.261 0.189 -7.754 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.473 -1.171 -8.403 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.826 0.201 -6.341 1.00 0.00 C ATOM 0 H LEU A 34 -1.499 2.694 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.834 1.942 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.405 0.534 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.234 -0.224 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.792 0.938 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.536 -1.412 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.106 -1.146 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.929 -1.931 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.884 -0.058 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.291 -0.526 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.708 1.195 -5.910 1.00 0.00 H new ATOM 555 N MET A 35 1.669 2.531 -8.160 1.00 0.00 N ATOM 556 CA MET A 35 3.107 2.761 -8.210 1.00 0.00 C ATOM 557 C MET A 35 3.489 3.926 -7.304 1.00 0.00 C ATOM 558 O MET A 35 4.508 3.881 -6.616 1.00 0.00 O ATOM 559 CB MET A 35 3.560 3.037 -9.646 1.00 0.00 C ATOM 560 CG MET A 35 5.072 3.124 -9.806 1.00 0.00 C ATOM 561 SD MET A 35 5.581 3.349 -11.526 1.00 0.00 S ATOM 562 CE MET A 35 4.838 4.936 -11.897 1.00 0.00 C ATOM 0 H MET A 35 1.176 2.737 -9.029 1.00 0.00 H new ATOM 0 HA MET A 35 3.611 1.861 -7.856 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.180 2.248 -10.295 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.113 3.972 -9.985 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.449 3.954 -9.208 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.528 2.215 -9.413 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.322 5.369 -12.772 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.775 4.802 -12.100 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.963 5.604 -11.045 1.00 0.00 H new ATOM 572 N VAL A 36 2.657 4.964 -7.304 1.00 0.00 N ATOM 573 CA VAL A 36 2.869 6.117 -6.438 1.00 0.00 C ATOM 574 C VAL A 36 2.823 5.697 -4.972 1.00 0.00 C ATOM 575 O VAL A 36 3.750 5.977 -4.212 1.00 0.00 O ATOM 576 CB VAL A 36 1.819 7.226 -6.694 1.00 0.00 C ATOM 577 CG1 VAL A 36 1.964 8.361 -5.692 1.00 0.00 C ATOM 578 CG2 VAL A 36 1.943 7.761 -8.113 1.00 0.00 C ATOM 0 H VAL A 36 1.829 5.029 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 36 3.854 6.521 -6.670 1.00 0.00 H new ATOM 0 HB VAL A 36 0.830 6.785 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.214 9.125 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.823 7.975 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.959 8.798 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.197 8.539 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.940 8.177 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.781 6.950 -8.823 1.00 0.00 H new ATOM 588 N LEU A 37 1.754 5.005 -4.591 1.00 0.00 N ATOM 589 CA LEU A 37 1.588 4.542 -3.216 1.00 0.00 C ATOM 590 C LEU A 37 2.705 3.579 -2.824 1.00 0.00 C ATOM 591 O LEU A 37 3.281 3.695 -1.743 1.00 0.00 O ATOM 592 CB LEU A 37 0.226 3.864 -3.036 1.00 0.00 C ATOM 593 CG LEU A 37 -0.986 4.778 -3.227 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.274 3.982 -3.092 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.953 5.918 -2.219 1.00 0.00 C ATOM 0 H LEU A 37 0.988 4.752 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 37 1.638 5.413 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.153 3.038 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.182 3.433 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.948 5.204 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.128 4.645 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.298 3.197 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.321 3.532 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.821 6.560 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.971 5.511 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.043 6.501 -2.359 1.00 0.00 H new ATOM 607 N GLY A 38 3.014 2.638 -3.712 1.00 0.00 N ATOM 608 CA GLY A 38 4.074 1.682 -3.451 1.00 0.00 C ATOM 609 C GLY A 38 5.411 2.357 -3.219 1.00 0.00 C ATOM 610 O GLY A 38 6.114 2.046 -2.256 1.00 0.00 O ATOM 0 H GLY A 38 2.546 2.521 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.814 1.084 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.157 0.996 -4.294 1.00 0.00 H new ATOM 614 N ASN A 39 5.756 3.291 -4.096 1.00 0.00 N ATOM 615 CA ASN A 39 6.995 4.050 -3.962 1.00 0.00 C ATOM 616 C ASN A 39 6.968 4.884 -2.685 1.00 0.00 C ATOM 617 O ASN A 39 7.961 4.968 -1.962 1.00 0.00 O ATOM 618 CB ASN A 39 7.194 4.959 -5.181 1.00 0.00 C ATOM 619 CG ASN A 39 8.498 5.734 -5.136 1.00 0.00 C ATOM 620 OD1 ASN A 39 9.497 5.269 -4.588 1.00 0.00 O ATOM 621 ND2 ASN A 39 8.500 6.924 -5.723 1.00 0.00 N ATOM 0 H ASN A 39 5.195 3.542 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 39 7.828 3.350 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.169 4.353 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.362 5.661 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.350 7.488 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.651 7.275 -6.167 1.00 0.00 H new ATOM 628 N MET A 40 5.813 5.479 -2.408 1.00 0.00 N ATOM 629 CA MET A 40 5.620 6.296 -1.214 1.00 0.00 C ATOM 630 C MET A 40 5.892 5.486 0.052 1.00 0.00 C ATOM 631 O MET A 40 6.665 5.908 0.914 1.00 0.00 O ATOM 632 CB MET A 40 4.193 6.848 -1.189 1.00 0.00 C ATOM 633 CG MET A 40 3.863 7.673 0.044 1.00 0.00 C ATOM 634 SD MET A 40 2.171 8.292 0.019 1.00 0.00 S ATOM 635 CE MET A 40 2.090 9.133 1.597 1.00 0.00 C ATOM 0 H MET A 40 4.987 5.410 -3.002 1.00 0.00 H new ATOM 0 HA MET A 40 6.327 7.125 -1.245 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.038 7.463 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.493 6.015 -1.253 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.012 7.065 0.936 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.554 8.513 0.112 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.100 9.569 1.726 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.280 8.420 2.399 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.841 9.922 1.628 1.00 0.00 H new ATOM 645 N VAL A 41 5.262 4.320 0.153 1.00 0.00 N ATOM 646 CA VAL A 41 5.446 3.447 1.308 1.00 0.00 C ATOM 647 C VAL A 41 6.895 2.973 1.401 1.00 0.00 C ATOM 648 O VAL A 41 7.489 2.985 2.480 1.00 0.00 O ATOM 649 CB VAL A 41 4.502 2.223 1.255 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.733 1.301 2.445 1.00 0.00 C ATOM 651 CG2 VAL A 41 3.050 2.670 1.208 1.00 0.00 C ATOM 0 H VAL A 41 4.619 3.957 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 41 5.200 4.031 2.195 1.00 0.00 H new ATOM 0 HB VAL A 41 4.726 1.666 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.056 0.449 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.764 0.947 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.545 1.846 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.401 1.795 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.820 3.255 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.886 3.281 0.320 1.00 0.00 H new ATOM 661 N THR A 42 7.462 2.578 0.265 1.00 0.00 N ATOM 662 CA THR A 42 8.848 2.125 0.214 1.00 0.00 C ATOM 663 C THR A 42 9.801 3.208 0.723 1.00 0.00 C ATOM 664 O THR A 42 10.680 2.939 1.549 1.00 0.00 O ATOM 665 CB THR A 42 9.249 1.718 -1.218 1.00 0.00 C ATOM 666 OG1 THR A 42 8.383 0.678 -1.690 1.00 0.00 O ATOM 667 CG2 THR A 42 10.692 1.237 -1.263 1.00 0.00 C ATOM 0 H THR A 42 6.982 2.563 -0.635 1.00 0.00 H new ATOM 0 HA THR A 42 8.925 1.253 0.863 1.00 0.00 H new ATOM 0 HB THR A 42 9.154 2.594 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.503 1.055 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.950 0.956 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.353 2.037 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.808 0.373 -0.608 1.00 0.00 H new ATOM 675 N ASN A 43 9.616 4.429 0.234 1.00 0.00 N ATOM 676 CA ASN A 43 10.429 5.561 0.665 1.00 0.00 C ATOM 677 C ASN A 43 10.253 5.780 2.164 1.00 0.00 C ATOM 678 O ASN A 43 11.232 5.901 2.904 1.00 0.00 O ATOM 679 CB ASN A 43 10.031 6.824 -0.116 1.00 0.00 C ATOM 680 CG ASN A 43 10.948 8.015 0.140 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.511 8.177 1.222 1.00 0.00 O ATOM 682 ND2 ASN A 43 11.106 8.864 -0.864 1.00 0.00 N ATOM 0 H ASN A 43 8.908 4.661 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 43 11.479 5.348 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.033 6.597 -1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.010 7.099 0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.708 9.680 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.626 8.702 -1.749 1.00 0.00 H new ATOM 689 N LEU A 44 8.999 5.788 2.607 1.00 0.00 N ATOM 690 CA LEU A 44 8.667 6.022 4.008 1.00 0.00 C ATOM 691 C LEU A 44 9.367 5.017 4.923 1.00 0.00 C ATOM 692 O LEU A 44 10.044 5.406 5.874 1.00 0.00 O ATOM 693 CB LEU A 44 7.150 5.944 4.210 1.00 0.00 C ATOM 694 CG LEU A 44 6.662 6.259 5.626 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.987 7.698 5.994 1.00 0.00 C ATOM 696 CD2 LEU A 44 5.168 6.001 5.742 1.00 0.00 C ATOM 0 H LEU A 44 8.188 5.633 2.008 1.00 0.00 H new ATOM 0 HA LEU A 44 9.017 7.020 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.672 6.635 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.815 4.942 3.943 1.00 0.00 H new ATOM 0 HG LEU A 44 7.180 5.602 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.633 7.904 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.065 7.850 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.496 8.373 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.837 6.230 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.633 6.634 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.961 4.954 5.521 1.00 0.00 H new ATOM 708 N ILE A 45 9.216 3.731 4.619 1.00 0.00 N ATOM 709 CA ILE A 45 9.794 2.672 5.444 1.00 0.00 C ATOM 710 C ILE A 45 11.311 2.807 5.543 1.00 0.00 C ATOM 711 O ILE A 45 11.874 2.797 6.634 1.00 0.00 O ATOM 712 CB ILE A 45 9.444 1.266 4.902 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.928 1.047 4.920 1.00 0.00 C ATOM 714 CG2 ILE A 45 10.149 0.185 5.717 1.00 0.00 C ATOM 715 CD1 ILE A 45 7.501 -0.305 4.388 1.00 0.00 C ATOM 0 H ILE A 45 8.698 3.396 3.807 1.00 0.00 H new ATOM 0 HA ILE A 45 9.359 2.784 6.437 1.00 0.00 H new ATOM 0 HB ILE A 45 9.791 1.200 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.566 1.156 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.450 1.828 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.890 -0.797 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.228 0.328 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.833 0.250 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.415 -0.387 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.831 -0.410 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.949 -1.092 4.994 1.00 0.00 H new ATOM 727 N ASN A 46 11.967 2.966 4.407 1.00 0.00 N ATOM 728 CA ASN A 46 13.425 2.976 4.376 1.00 0.00 C ATOM 729 C ASN A 46 14.010 4.207 5.058 1.00 0.00 C ATOM 730 O ASN A 46 15.090 4.136 5.642 1.00 0.00 O ATOM 731 CB ASN A 46 13.948 2.879 2.941 1.00 0.00 C ATOM 732 CG ASN A 46 13.862 1.468 2.387 1.00 0.00 C ATOM 733 OD1 ASN A 46 14.762 0.655 2.593 1.00 0.00 O ATOM 734 ND2 ASN A 46 12.790 1.171 1.671 1.00 0.00 N ATOM 0 H ASN A 46 11.520 3.089 3.498 1.00 0.00 H new ATOM 0 HA ASN A 46 13.751 2.098 4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.376 3.552 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.984 3.215 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.688 0.240 1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.065 1.873 1.523 1.00 0.00 H new ATOM 741 N THR A 47 13.309 5.327 5.004 1.00 0.00 N ATOM 742 CA THR A 47 13.852 6.567 5.541 1.00 0.00 C ATOM 743 C THR A 47 13.400 6.831 6.978 1.00 0.00 C ATOM 744 O THR A 47 14.155 7.385 7.777 1.00 0.00 O ATOM 745 CB THR A 47 13.476 7.775 4.659 1.00 0.00 C ATOM 746 OG1 THR A 47 12.052 7.859 4.507 1.00 0.00 O ATOM 747 CG2 THR A 47 14.133 7.670 3.291 1.00 0.00 C ATOM 0 H THR A 47 12.376 5.406 4.600 1.00 0.00 H new ATOM 0 HA THR A 47 14.935 6.443 5.542 1.00 0.00 H new ATOM 0 HB THR A 47 13.837 8.678 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.749 7.171 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.854 8.533 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.216 7.645 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.800 6.757 2.797 1.00 0.00 H new ATOM 755 N SER A 48 12.182 6.427 7.313 1.00 0.00 N ATOM 756 CA SER A 48 11.602 6.782 8.604 1.00 0.00 C ATOM 757 C SER A 48 11.507 5.582 9.550 1.00 0.00 C ATOM 758 O SER A 48 11.177 5.737 10.728 1.00 0.00 O ATOM 759 CB SER A 48 10.218 7.392 8.385 1.00 0.00 C ATOM 760 OG SER A 48 10.269 8.415 7.401 1.00 0.00 O ATOM 0 H SER A 48 11.580 5.859 6.717 1.00 0.00 H new ATOM 0 HA SER A 48 12.262 7.508 9.079 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.518 6.616 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.843 7.801 9.323 1.00 0.00 H new ATOM 0 HG SER A 48 10.229 8.013 6.508 1.00 0.00 H new ATOM 766 N ILE A 49 11.794 4.389 9.047 1.00 0.00 N ATOM 767 CA ILE A 49 11.713 3.186 9.867 1.00 0.00 C ATOM 768 C ILE A 49 13.079 2.506 9.958 1.00 0.00 C ATOM 769 O ILE A 49 13.856 2.520 8.997 1.00 0.00 O ATOM 770 CB ILE A 49 10.656 2.195 9.318 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.285 2.878 9.241 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.577 0.946 10.186 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.188 1.994 8.690 1.00 0.00 C ATOM 0 H ILE A 49 12.083 4.228 8.082 1.00 0.00 H new ATOM 0 HA ILE A 49 11.402 3.489 10.867 1.00 0.00 H new ATOM 0 HB ILE A 49 10.958 1.891 8.316 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.001 3.213 10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.368 3.768 8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.828 0.267 9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.548 0.450 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.299 1.226 11.202 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.250 2.549 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.448 1.679 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.075 1.116 9.326 1.00 0.00 H new ATOM 785 N ALA A 50 13.369 1.943 11.128 1.00 0.00 N ATOM 786 CA ALA A 50 14.640 1.275 11.386 1.00 0.00 C ATOM 787 C ALA A 50 14.925 0.179 10.358 1.00 0.00 C ATOM 788 O ALA A 50 14.064 -0.655 10.064 1.00 0.00 O ATOM 789 CB ALA A 50 14.643 0.696 12.793 1.00 0.00 C ATOM 0 H ALA A 50 12.730 1.937 11.923 1.00 0.00 H new ATOM 0 HA ALA A 50 15.433 2.017 11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.595 0.198 12.980 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.505 1.499 13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.831 -0.025 12.892 1.00 0.00 H new ATOM 795 N PRO A 51 16.150 0.168 9.804 1.00 0.00 N ATOM 796 CA PRO A 51 16.565 -0.797 8.774 1.00 0.00 C ATOM 797 C PRO A 51 16.464 -2.245 9.240 1.00 0.00 C ATOM 798 O PRO A 51 16.237 -3.149 8.438 1.00 0.00 O ATOM 799 CB PRO A 51 18.029 -0.432 8.502 1.00 0.00 C ATOM 800 CG PRO A 51 18.170 0.974 8.970 1.00 0.00 C ATOM 801 CD PRO A 51 17.232 1.114 10.131 1.00 0.00 C ATOM 0 HA PRO A 51 15.922 -0.738 7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.707 -1.096 9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.267 -0.521 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.197 1.185 9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.918 1.677 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.717 0.861 11.074 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.860 2.134 10.228 1.00 0.00 H new ATOM 809 N ALA A 52 16.614 -2.464 10.542 1.00 0.00 N ATOM 810 CA ALA A 52 16.585 -3.814 11.093 1.00 0.00 C ATOM 811 C ALA A 52 15.165 -4.369 11.176 1.00 0.00 C ATOM 812 O ALA A 52 14.964 -5.515 11.582 1.00 0.00 O ATOM 813 CB ALA A 52 17.239 -3.838 12.466 1.00 0.00 C ATOM 0 H ALA A 52 16.756 -1.727 11.233 1.00 0.00 H new ATOM 0 HA ALA A 52 17.148 -4.455 10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.210 -4.852 12.865 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.275 -3.511 12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.701 -3.168 13.137 1.00 0.00 H new ATOM 819 N GLN A 53 14.175 -3.564 10.807 1.00 0.00 N ATOM 820 CA GLN A 53 12.794 -4.026 10.818 1.00 0.00 C ATOM 821 C GLN A 53 12.044 -3.602 9.558 1.00 0.00 C ATOM 822 O GLN A 53 10.812 -3.616 9.532 1.00 0.00 O ATOM 823 CB GLN A 53 12.060 -3.527 12.066 1.00 0.00 C ATOM 824 CG GLN A 53 12.076 -2.020 12.241 1.00 0.00 C ATOM 825 CD GLN A 53 11.235 -1.575 13.418 1.00 0.00 C ATOM 826 OE1 GLN A 53 10.051 -1.274 13.272 1.00 0.00 O ATOM 827 NE2 GLN A 53 11.833 -1.548 14.598 1.00 0.00 N ATOM 0 H GLN A 53 14.301 -2.599 10.500 1.00 0.00 H new ATOM 0 HA GLN A 53 12.820 -5.115 10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.025 -3.865 12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.509 -3.988 12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.103 -1.683 12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.706 -1.546 11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.817 -1.805 14.677 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.310 -1.270 15.429 1.00 0.00 H new ATOM 836 N ARG A 54 12.783 -3.261 8.506 1.00 0.00 N ATOM 837 CA ARG A 54 12.164 -2.896 7.230 1.00 0.00 C ATOM 838 C ARG A 54 11.286 -4.034 6.712 1.00 0.00 C ATOM 839 O ARG A 54 10.166 -3.815 6.249 1.00 0.00 O ATOM 840 CB ARG A 54 13.225 -2.536 6.179 1.00 0.00 C ATOM 841 CG ARG A 54 14.360 -3.545 6.076 1.00 0.00 C ATOM 842 CD ARG A 54 15.103 -3.449 4.751 1.00 0.00 C ATOM 843 NE ARG A 54 15.440 -2.072 4.382 1.00 0.00 N ATOM 844 CZ ARG A 54 16.650 -1.532 4.527 1.00 0.00 C ATOM 845 NH1 ARG A 54 17.620 -2.205 5.134 1.00 0.00 N ATOM 846 NH2 ARG A 54 16.883 -0.311 4.069 1.00 0.00 N ATOM 0 H ARG A 54 13.802 -3.229 8.508 1.00 0.00 H new ATOM 0 HA ARG A 54 11.542 -2.018 7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.742 -2.447 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.642 -1.558 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.061 -3.384 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.959 -4.552 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.018 -4.038 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.491 -3.891 3.965 1.00 0.00 H new ATOM 0 HE ARG A 54 14.701 -1.489 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.442 -3.143 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.543 -1.784 5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.138 0.211 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.807 0.107 4.178 1.00 0.00 H new ATOM 860 N GLN A 55 11.793 -5.254 6.822 1.00 0.00 N ATOM 861 CA GLN A 55 11.078 -6.422 6.336 1.00 0.00 C ATOM 862 C GLN A 55 10.117 -6.951 7.386 1.00 0.00 C ATOM 863 O GLN A 55 9.187 -7.689 7.067 1.00 0.00 O ATOM 864 CB GLN A 55 12.064 -7.506 5.904 1.00 0.00 C ATOM 865 CG GLN A 55 12.761 -7.179 4.595 1.00 0.00 C ATOM 866 CD GLN A 55 11.834 -7.299 3.401 1.00 0.00 C ATOM 867 OE1 GLN A 55 10.618 -7.157 3.524 1.00 0.00 O ATOM 868 NE2 GLN A 55 12.401 -7.534 2.233 1.00 0.00 N ATOM 0 H GLN A 55 12.698 -5.459 7.245 1.00 0.00 H new ATOM 0 HA GLN A 55 10.489 -6.125 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.812 -7.642 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.534 -8.453 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.159 -6.165 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.610 -7.849 4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.413 -7.646 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.827 -7.604 1.392 1.00 0.00 H new ATOM 877 N ALA A 56 10.331 -6.562 8.636 1.00 0.00 N ATOM 878 CA ALA A 56 9.410 -6.919 9.705 1.00 0.00 C ATOM 879 C ALA A 56 8.073 -6.230 9.477 1.00 0.00 C ATOM 880 O ALA A 56 7.009 -6.836 9.631 1.00 0.00 O ATOM 881 CB ALA A 56 9.988 -6.544 11.063 1.00 0.00 C ATOM 0 H ALA A 56 11.130 -6.002 8.933 1.00 0.00 H new ATOM 0 HA ALA A 56 9.257 -7.998 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.283 -6.820 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.928 -7.074 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.167 -5.469 11.098 1.00 0.00 H new ATOM 887 N ILE A 57 8.138 -4.963 9.086 1.00 0.00 N ATOM 888 CA ILE A 57 6.946 -4.200 8.754 1.00 0.00 C ATOM 889 C ILE A 57 6.318 -4.743 7.474 1.00 0.00 C ATOM 890 O ILE A 57 5.107 -4.962 7.407 1.00 0.00 O ATOM 891 CB ILE A 57 7.270 -2.699 8.566 1.00 0.00 C ATOM 892 CG1 ILE A 57 7.922 -2.125 9.830 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.012 -1.915 8.213 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.059 -2.230 11.071 1.00 0.00 C ATOM 0 H ILE A 57 9.010 -4.442 8.991 1.00 0.00 H new ATOM 0 HA ILE A 57 6.246 -4.301 9.583 1.00 0.00 H new ATOM 0 HB ILE A 57 7.975 -2.605 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.863 -2.645 10.009 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.165 -1.077 9.657 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.263 -0.862 8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.590 -2.302 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.281 -2.019 9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.591 -1.803 11.921 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.128 -1.685 10.914 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.837 -3.278 11.272 1.00 0.00 H new ATOM 906 N ALA A 58 7.159 -4.986 6.471 1.00 0.00 N ATOM 907 CA ALA A 58 6.705 -5.479 5.175 1.00 0.00 C ATOM 908 C ALA A 58 5.988 -6.823 5.298 1.00 0.00 C ATOM 909 O ALA A 58 4.910 -7.007 4.735 1.00 0.00 O ATOM 910 CB ALA A 58 7.876 -5.594 4.214 1.00 0.00 C ATOM 0 H ALA A 58 8.168 -4.847 6.534 1.00 0.00 H new ATOM 0 HA ALA A 58 5.989 -4.757 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.522 -5.963 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.335 -4.614 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.613 -6.287 4.620 1.00 0.00 H new ATOM 916 N ASN A 59 6.590 -7.757 6.031 1.00 0.00 N ATOM 917 CA ASN A 59 5.988 -9.077 6.232 1.00 0.00 C ATOM 918 C ASN A 59 4.634 -8.960 6.914 1.00 0.00 C ATOM 919 O ASN A 59 3.668 -9.601 6.501 1.00 0.00 O ATOM 920 CB ASN A 59 6.904 -9.988 7.058 1.00 0.00 C ATOM 921 CG ASN A 59 7.881 -10.772 6.203 1.00 0.00 C ATOM 922 OD1 ASN A 59 7.579 -11.878 5.758 1.00 0.00 O ATOM 923 ND2 ASN A 59 9.062 -10.217 5.980 1.00 0.00 N ATOM 0 H ASN A 59 7.489 -7.627 6.494 1.00 0.00 H new ATOM 0 HA ASN A 59 5.851 -9.522 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.460 -9.383 7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.293 -10.683 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.759 -10.709 5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.275 -9.297 6.367 1.00 0.00 H new ATOM 930 N SER A 60 4.566 -8.130 7.946 1.00 0.00 N ATOM 931 CA SER A 60 3.325 -7.919 8.675 1.00 0.00 C ATOM 932 C SER A 60 2.263 -7.298 7.769 1.00 0.00 C ATOM 933 O SER A 60 1.109 -7.723 7.772 1.00 0.00 O ATOM 934 CB SER A 60 3.577 -7.028 9.893 1.00 0.00 C ATOM 935 OG SER A 60 4.592 -7.578 10.719 1.00 0.00 O ATOM 0 H SER A 60 5.358 -7.591 8.297 1.00 0.00 H new ATOM 0 HA SER A 60 2.955 -8.886 9.017 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.870 -6.031 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.656 -6.918 10.465 1.00 0.00 H new ATOM 0 HG SER A 60 5.467 -7.432 10.303 1.00 0.00 H new ATOM 941 N PHE A 61 2.669 -6.305 6.981 1.00 0.00 N ATOM 942 CA PHE A 61 1.765 -5.630 6.057 1.00 0.00 C ATOM 943 C PHE A 61 1.238 -6.607 5.007 1.00 0.00 C ATOM 944 O PHE A 61 0.034 -6.689 4.772 1.00 0.00 O ATOM 945 CB PHE A 61 2.484 -4.460 5.375 1.00 0.00 C ATOM 946 CG PHE A 61 1.628 -3.691 4.403 1.00 0.00 C ATOM 947 CD1 PHE A 61 0.762 -2.708 4.850 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.696 -3.950 3.040 1.00 0.00 C ATOM 949 CE1 PHE A 61 -0.023 -1.998 3.960 1.00 0.00 C ATOM 950 CE2 PHE A 61 0.913 -3.245 2.147 1.00 0.00 C ATOM 951 CZ PHE A 61 0.053 -2.267 2.607 1.00 0.00 C ATOM 0 H PHE A 61 3.625 -5.949 6.965 1.00 0.00 H new ATOM 0 HA PHE A 61 0.918 -5.244 6.624 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.848 -3.776 6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.358 -4.843 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.699 -2.493 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.369 -4.711 2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.695 -1.234 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.973 -3.458 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.559 -1.714 1.910 1.00 0.00 H new ATOM 961 N ALA A 62 2.152 -7.353 4.396 1.00 0.00 N ATOM 962 CA ALA A 62 1.790 -8.296 3.344 1.00 0.00 C ATOM 963 C ALA A 62 0.836 -9.365 3.862 1.00 0.00 C ATOM 964 O ALA A 62 -0.203 -9.627 3.256 1.00 0.00 O ATOM 965 CB ALA A 62 3.041 -8.938 2.760 1.00 0.00 C ATOM 0 H ALA A 62 3.149 -7.323 4.611 1.00 0.00 H new ATOM 0 HA ALA A 62 1.275 -7.743 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.758 -9.640 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.684 -8.165 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.578 -9.469 3.546 1.00 0.00 H new ATOM 971 N ARG A 63 1.175 -9.960 4.999 1.00 0.00 N ATOM 972 CA ARG A 63 0.355 -11.013 5.586 1.00 0.00 C ATOM 973 C ARG A 63 -0.982 -10.468 6.075 1.00 0.00 C ATOM 974 O ARG A 63 -1.979 -11.191 6.106 1.00 0.00 O ATOM 975 CB ARG A 63 1.097 -11.704 6.727 1.00 0.00 C ATOM 976 CG ARG A 63 2.252 -12.568 6.255 1.00 0.00 C ATOM 977 CD ARG A 63 2.938 -13.258 7.418 1.00 0.00 C ATOM 978 NE ARG A 63 3.951 -14.207 6.967 1.00 0.00 N ATOM 979 CZ ARG A 63 4.479 -15.155 7.739 1.00 0.00 C ATOM 980 NH1 ARG A 63 4.092 -15.278 9.003 1.00 0.00 N ATOM 981 NH2 ARG A 63 5.390 -15.980 7.248 1.00 0.00 N ATOM 0 H ARG A 63 2.013 -9.731 5.534 1.00 0.00 H new ATOM 0 HA ARG A 63 0.154 -11.748 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.475 -10.948 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.395 -12.322 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.885 -13.315 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.974 -11.952 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.402 -12.510 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.194 -13.780 8.020 1.00 0.00 H new ATOM 0 HE ARG A 63 4.274 -14.140 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.389 -14.646 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.498 -16.005 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.689 -15.890 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.793 -16.706 7.841 1.00 0.00 H new ATOM 995 N ALA A 64 -1.008 -9.197 6.457 1.00 0.00 N ATOM 996 CA ALA A 64 -2.253 -8.547 6.839 1.00 0.00 C ATOM 997 C ALA A 64 -3.121 -8.317 5.610 1.00 0.00 C ATOM 998 O ALA A 64 -4.333 -8.529 5.643 1.00 0.00 O ATOM 999 CB ALA A 64 -1.981 -7.232 7.552 1.00 0.00 C ATOM 0 H ALA A 64 -0.184 -8.599 6.510 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.786 -9.201 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.927 -6.765 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.394 -7.420 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.427 -6.567 6.890 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.484 -7.897 4.522 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.166 -7.688 3.253 1.00 0.00 C ATOM 1007 C LEU A 65 -3.759 -9.001 2.747 1.00 0.00 C ATOM 1008 O LEU A 65 -4.920 -9.053 2.337 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.188 -7.110 2.220 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.801 -6.746 0.868 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.827 -5.636 1.028 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.713 -6.326 -0.111 1.00 0.00 C ATOM 0 H LEU A 65 -1.485 -7.693 4.496 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.979 -6.977 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.726 -6.218 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.390 -7.834 2.055 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.306 -7.626 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.252 -5.391 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.620 -5.968 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.345 -4.752 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.165 -6.070 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.183 -5.459 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.011 -7.148 -0.249 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.963 -10.063 2.812 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.406 -11.390 2.385 1.00 0.00 C ATOM 1026 C GLN A 66 -4.476 -11.941 3.328 1.00 0.00 C ATOM 1027 O GLN A 66 -5.156 -12.912 3.008 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.222 -12.361 2.322 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.147 -11.957 1.321 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.020 -12.971 1.227 1.00 0.00 C ATOM 1031 OE1 GLN A 66 0.963 -12.898 1.965 1.00 0.00 O ATOM 1032 NE2 GLN A 66 -0.152 -13.918 0.310 1.00 0.00 N ATOM 0 H GLN A 66 -2.004 -10.032 3.157 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.837 -11.290 1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.773 -12.436 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.591 -13.353 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.601 -11.833 0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.736 -10.989 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.983 -13.943 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.577 -14.622 0.196 1.00 0.00 H new ATOM 1041 N SER A 67 -4.612 -11.327 4.496 1.00 0.00 N ATOM 1042 CA SER A 67 -5.616 -11.739 5.464 1.00 0.00 C ATOM 1043 C SER A 67 -6.846 -10.840 5.378 1.00 0.00 C ATOM 1044 O SER A 67 -7.819 -11.026 6.111 1.00 0.00 O ATOM 1045 CB SER A 67 -5.030 -11.701 6.878 1.00 0.00 C ATOM 1046 OG SER A 67 -5.934 -12.241 7.833 1.00 0.00 O ATOM 0 H SER A 67 -4.037 -10.540 4.795 1.00 0.00 H new ATOM 0 HA SER A 67 -5.920 -12.760 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.097 -12.263 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.789 -10.672 7.145 1.00 0.00 H new ATOM 0 HG SER A 67 -6.851 -11.988 7.595 1.00 0.00 H new ATOM 1052 N SER A 68 -6.794 -9.857 4.489 1.00 0.00 N ATOM 1053 CA SER A 68 -7.896 -8.922 4.325 1.00 0.00 C ATOM 1054 C SER A 68 -8.599 -9.156 2.994 1.00 0.00 C ATOM 1055 O SER A 68 -9.831 -9.159 2.924 1.00 0.00 O ATOM 1056 CB SER A 68 -7.392 -7.482 4.418 1.00 0.00 C ATOM 1057 OG SER A 68 -6.754 -7.252 5.664 1.00 0.00 O ATOM 0 H SER A 68 -6.000 -9.688 3.871 1.00 0.00 H new ATOM 0 HA SER A 68 -8.614 -9.089 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.694 -7.283 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.227 -6.791 4.298 1.00 0.00 H new ATOM 0 HG SER A 68 -5.878 -7.691 5.669 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.815 -9.345 1.942 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.361 -9.665 0.632 1.00 0.00 C ATOM 1065 C ILE A 69 -8.560 -11.169 0.523 1.00 0.00 C ATOM 1066 O ILE A 69 -7.592 -11.914 0.357 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.444 -9.168 -0.505 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.196 -7.661 -0.364 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -8.058 -9.486 -1.866 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.294 -7.083 -1.432 1.00 0.00 C ATOM 0 H ILE A 69 -6.797 -9.282 1.971 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.319 -9.155 0.527 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.488 -9.686 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.154 -7.141 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.756 -7.466 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.397 -9.128 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.189 -10.564 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.027 -8.993 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.168 -6.014 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.322 -7.574 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.741 -7.245 -2.413 1.00 0.00 H new ATOM 1442 N SER B 8 5.597 9.505 -16.628 1.00 0.00 N ATOM 1443 CA SER B 8 6.535 10.614 -16.528 1.00 0.00 C ATOM 1444 C SER B 8 7.049 10.749 -15.098 1.00 0.00 C ATOM 1445 O SER B 8 6.281 11.032 -14.177 1.00 0.00 O ATOM 1446 CB SER B 8 5.860 11.913 -16.977 1.00 0.00 C ATOM 1447 OG SER B 8 6.770 13.004 -16.976 1.00 0.00 O ATOM 0 HA SER B 8 7.384 10.415 -17.181 1.00 0.00 H new ATOM 0 HB2 SER B 8 5.449 11.783 -17.978 1.00 0.00 H new ATOM 0 HB3 SER B 8 5.023 12.136 -16.315 1.00 0.00 H new ATOM 0 HG SER B 8 6.307 13.816 -17.269 1.00 0.00 H new ATOM 1453 N ASP B 9 8.353 10.543 -14.930 1.00 0.00 N ATOM 1454 CA ASP B 9 8.997 10.595 -13.617 1.00 0.00 C ATOM 1455 C ASP B 9 8.736 11.928 -12.921 1.00 0.00 C ATOM 1456 O ASP B 9 8.521 11.970 -11.707 1.00 0.00 O ATOM 1457 CB ASP B 9 10.510 10.350 -13.746 1.00 0.00 C ATOM 1458 CG ASP B 9 11.176 11.269 -14.752 1.00 0.00 C ATOM 1459 OD1 ASP B 9 11.577 12.387 -14.378 1.00 0.00 O ATOM 1460 OD2 ASP B 9 11.293 10.875 -15.934 1.00 0.00 O ATOM 0 H ASP B 9 8.993 10.336 -15.697 1.00 0.00 H new ATOM 0 HA ASP B 9 8.563 9.804 -13.005 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.979 10.487 -12.772 1.00 0.00 H new ATOM 0 HB3 ASP B 9 10.681 9.314 -14.040 1.00 0.00 H new ATOM 1465 N GLU B 10 8.739 13.008 -13.691 1.00 0.00 N ATOM 1466 CA GLU B 10 8.474 14.332 -13.147 1.00 0.00 C ATOM 1467 C GLU B 10 7.035 14.424 -12.644 1.00 0.00 C ATOM 1468 O GLU B 10 6.789 14.822 -11.506 1.00 0.00 O ATOM 1469 CB GLU B 10 8.727 15.404 -14.208 1.00 0.00 C ATOM 1470 CG GLU B 10 8.499 16.824 -13.710 1.00 0.00 C ATOM 1471 CD GLU B 10 9.554 17.290 -12.724 1.00 0.00 C ATOM 1472 OE1 GLU B 10 9.653 16.713 -11.622 1.00 0.00 O ATOM 1473 OE2 GLU B 10 10.275 18.259 -13.046 1.00 0.00 O ATOM 0 H GLU B 10 8.922 12.993 -14.694 1.00 0.00 H new ATOM 0 HA GLU B 10 9.150 14.500 -12.308 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.753 15.314 -14.565 1.00 0.00 H new ATOM 0 HB3 GLU B 10 8.075 15.219 -15.062 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.483 17.503 -14.563 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.518 16.883 -13.238 1.00 0.00 H new ATOM 1480 N GLN B 11 6.089 14.029 -13.493 1.00 0.00 N ATOM 1481 CA GLN B 11 4.672 14.080 -13.145 1.00 0.00 C ATOM 1482 C GLN B 11 4.389 13.247 -11.900 1.00 0.00 C ATOM 1483 O GLN B 11 3.659 13.681 -11.006 1.00 0.00 O ATOM 1484 CB GLN B 11 3.815 13.579 -14.306 1.00 0.00 C ATOM 1485 CG GLN B 11 2.320 13.686 -14.049 1.00 0.00 C ATOM 1486 CD GLN B 11 1.492 13.095 -15.172 1.00 0.00 C ATOM 1487 OE1 GLN B 11 2.014 13.149 -16.387 1.00 0.00 O flip ATOM 1488 NE2 GLN B 11 0.389 12.599 -14.947 1.00 0.00 N flip ATOM 0 H GLN B 11 6.279 13.670 -14.428 1.00 0.00 H new ATOM 0 HA GLN B 11 4.416 15.119 -12.937 1.00 0.00 H new ATOM 0 HB2 GLN B 11 4.063 14.148 -15.202 1.00 0.00 H new ATOM 0 HB3 GLN B 11 4.067 12.538 -14.510 1.00 0.00 H new ATOM 0 HG2 GLN B 11 2.078 13.176 -13.117 1.00 0.00 H new ATOM 0 HG3 GLN B 11 2.052 14.734 -13.918 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.024 12.578 -13.995 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.160 12.209 -15.713 1.00 0.00 H new ATOM 1497 N VAL B 12 4.980 12.055 -11.843 1.00 0.00 N ATOM 1498 CA VAL B 12 4.831 11.179 -10.689 1.00 0.00 C ATOM 1499 C VAL B 12 5.288 11.887 -9.417 1.00 0.00 C ATOM 1500 O VAL B 12 4.600 11.856 -8.397 1.00 0.00 O ATOM 1501 CB VAL B 12 5.627 9.862 -10.861 1.00 0.00 C ATOM 1502 CG1 VAL B 12 5.534 9.000 -9.610 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.128 9.090 -12.073 1.00 0.00 C ATOM 0 H VAL B 12 5.567 11.676 -12.586 1.00 0.00 H new ATOM 0 HA VAL B 12 3.773 10.931 -10.608 1.00 0.00 H new ATOM 0 HB VAL B 12 6.674 10.121 -11.019 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.102 8.081 -9.758 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.943 9.547 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.490 8.754 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.699 8.168 -12.177 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.073 8.850 -11.942 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.254 9.698 -12.969 1.00 0.00 H new ATOM 1513 N GLU B 13 6.434 12.555 -9.495 1.00 0.00 N ATOM 1514 CA GLU B 13 6.977 13.254 -8.343 1.00 0.00 C ATOM 1515 C GLU B 13 6.111 14.455 -7.976 1.00 0.00 C ATOM 1516 O GLU B 13 5.867 14.708 -6.803 1.00 0.00 O ATOM 1517 CB GLU B 13 8.412 13.708 -8.602 1.00 0.00 C ATOM 1518 CG GLU B 13 9.067 14.333 -7.382 1.00 0.00 C ATOM 1519 CD GLU B 13 10.495 14.754 -7.627 1.00 0.00 C ATOM 1520 OE1 GLU B 13 11.358 13.867 -7.798 1.00 0.00 O ATOM 1521 OE2 GLU B 13 10.772 15.974 -7.623 1.00 0.00 O ATOM 0 H GLU B 13 7.000 12.625 -10.341 1.00 0.00 H new ATOM 0 HA GLU B 13 6.979 12.555 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.004 12.853 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.417 14.429 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.487 15.202 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.041 13.620 -6.558 1.00 0.00 H new ATOM 1528 N GLN B 14 5.647 15.190 -8.982 1.00 0.00 N ATOM 1529 CA GLN B 14 4.799 16.355 -8.745 1.00 0.00 C ATOM 1530 C GLN B 14 3.512 15.955 -8.028 1.00 0.00 C ATOM 1531 O GLN B 14 3.094 16.610 -7.070 1.00 0.00 O ATOM 1532 CB GLN B 14 4.467 17.066 -10.063 1.00 0.00 C ATOM 1533 CG GLN B 14 5.681 17.620 -10.801 1.00 0.00 C ATOM 1534 CD GLN B 14 6.290 18.859 -10.157 1.00 0.00 C ATOM 1535 OE1 GLN B 14 6.203 18.971 -8.840 1.00 0.00 O flip ATOM 1536 NE2 GLN B 14 6.842 19.715 -10.846 1.00 0.00 N flip ATOM 0 H GLN B 14 5.842 15.001 -9.965 1.00 0.00 H new ATOM 0 HA GLN B 14 5.352 17.044 -8.107 1.00 0.00 H new ATOM 0 HB2 GLN B 14 3.946 16.367 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN B 14 3.777 17.884 -9.857 1.00 0.00 H new ATOM 0 HG2 GLN B 14 6.443 16.843 -10.859 1.00 0.00 H new ATOM 0 HG3 GLN B 14 5.392 17.861 -11.824 1.00 0.00 H new ATOM 0 HE21 GLN B 14 6.893 19.600 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN B 14 7.249 20.540 -10.405 1.00 0.00 H new ATOM 1545 N LEU B 15 2.899 14.871 -8.488 1.00 0.00 N ATOM 1546 CA LEU B 15 1.679 14.361 -7.876 1.00 0.00 C ATOM 1547 C LEU B 15 1.978 13.856 -6.463 1.00 0.00 C ATOM 1548 O LEU B 15 1.265 14.179 -5.511 1.00 0.00 O ATOM 1549 CB LEU B 15 1.088 13.240 -8.748 1.00 0.00 C ATOM 1550 CG LEU B 15 -0.391 12.898 -8.505 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -0.950 12.112 -9.681 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.572 12.098 -7.223 1.00 0.00 C ATOM 0 H LEU B 15 3.228 14.327 -9.285 1.00 0.00 H new ATOM 0 HA LEU B 15 0.945 15.163 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.207 13.521 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.678 12.337 -8.592 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.935 13.837 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.998 11.876 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.867 12.708 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.386 11.187 -9.802 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.629 11.873 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.009 11.167 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.208 12.680 -6.376 1.00 0.00 H new ATOM 1564 N LEU B 16 3.053 13.083 -6.336 1.00 0.00 N ATOM 1565 CA LEU B 16 3.461 12.527 -5.049 1.00 0.00 C ATOM 1566 C LEU B 16 3.775 13.636 -4.046 1.00 0.00 C ATOM 1567 O LEU B 16 3.352 13.577 -2.894 1.00 0.00 O ATOM 1568 CB LEU B 16 4.685 11.622 -5.233 1.00 0.00 C ATOM 1569 CG LEU B 16 5.201 10.946 -3.959 1.00 0.00 C ATOM 1570 CD1 LEU B 16 4.150 10.013 -3.376 1.00 0.00 C ATOM 1571 CD2 LEU B 16 6.486 10.184 -4.247 1.00 0.00 C ATOM 0 H LEU B 16 3.661 12.826 -7.114 1.00 0.00 H new ATOM 0 HA LEU B 16 2.633 11.937 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU B 16 4.437 10.848 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.493 12.215 -5.662 1.00 0.00 H new ATOM 0 HG LEU B 16 5.412 11.722 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU B 16 4.540 9.545 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU B 16 3.253 10.582 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU B 16 3.903 9.242 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU B 16 6.840 9.709 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU B 16 6.295 9.421 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU B 16 7.244 10.875 -4.614 1.00 0.00 H new ATOM 1583 N ALA B 17 4.501 14.652 -4.498 1.00 0.00 N ATOM 1584 CA ALA B 17 4.882 15.767 -3.642 1.00 0.00 C ATOM 1585 C ALA B 17 3.659 16.529 -3.154 1.00 0.00 C ATOM 1586 O ALA B 17 3.660 17.084 -2.055 1.00 0.00 O ATOM 1587 CB ALA B 17 5.830 16.704 -4.375 1.00 0.00 C ATOM 0 H ALA B 17 4.839 14.726 -5.458 1.00 0.00 H new ATOM 0 HA ALA B 17 5.396 15.359 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.103 17.531 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.728 16.159 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.339 17.095 -5.266 1.00 0.00 H new ATOM 1593 N GLU B 18 2.616 16.556 -3.973 1.00 0.00 N ATOM 1594 CA GLU B 18 1.381 17.225 -3.600 1.00 0.00 C ATOM 1595 C GLU B 18 0.667 16.426 -2.511 1.00 0.00 C ATOM 1596 O GLU B 18 0.152 16.994 -1.547 1.00 0.00 O ATOM 1597 CB GLU B 18 0.485 17.407 -4.827 1.00 0.00 C ATOM 1598 CG GLU B 18 -0.632 18.420 -4.626 1.00 0.00 C ATOM 1599 CD GLU B 18 -1.265 18.842 -5.936 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.535 19.349 -6.812 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -2.492 18.686 -6.099 1.00 0.00 O ATOM 0 H GLU B 18 2.602 16.123 -4.897 1.00 0.00 H new ATOM 0 HA GLU B 18 1.613 18.214 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU B 18 1.100 17.720 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.047 16.445 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.396 17.992 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.236 19.298 -4.116 1.00 0.00 H new ATOM 1608 N LEU B 19 0.662 15.104 -2.662 1.00 0.00 N ATOM 1609 CA LEU B 19 0.126 14.217 -1.634 1.00 0.00 C ATOM 1610 C LEU B 19 0.934 14.349 -0.350 1.00 0.00 C ATOM 1611 O LEU B 19 0.379 14.424 0.748 1.00 0.00 O ATOM 1612 CB LEU B 19 0.154 12.760 -2.105 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.796 12.418 -3.251 1.00 0.00 C ATOM 1614 CD1 LEU B 19 -0.575 10.985 -3.706 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -2.240 12.619 -2.822 1.00 0.00 C ATOM 0 H LEU B 19 1.023 14.624 -3.486 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.907 14.507 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.170 12.517 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.083 12.118 -1.257 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.588 13.087 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -1.258 10.753 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.453 10.866 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.761 10.306 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.904 12.371 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.461 11.971 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.393 13.659 -2.534 1.00 0.00 H new ATOM 1627 N LEU B 20 2.254 14.384 -0.504 1.00 0.00 N ATOM 1628 CA LEU B 20 3.163 14.525 0.625 1.00 0.00 C ATOM 1629 C LEU B 20 2.929 15.835 1.362 1.00 0.00 C ATOM 1630 O LEU B 20 3.035 15.882 2.584 1.00 0.00 O ATOM 1631 CB LEU B 20 4.621 14.434 0.165 1.00 0.00 C ATOM 1632 CG LEU B 20 5.298 13.078 0.393 1.00 0.00 C ATOM 1633 CD1 LEU B 20 4.528 11.959 -0.291 1.00 0.00 C ATOM 1634 CD2 LEU B 20 6.735 13.115 -0.103 1.00 0.00 C ATOM 0 H LEU B 20 2.720 14.316 -1.409 1.00 0.00 H new ATOM 0 HA LEU B 20 2.960 13.704 1.313 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.664 14.668 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.197 15.200 0.684 1.00 0.00 H new ATOM 0 HG LEU B 20 5.302 12.877 1.464 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.031 11.009 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.516 11.915 0.111 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.484 12.150 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.203 12.145 0.065 1.00 0.00 H new ATOM 0 HD22 LEU B 20 6.746 13.343 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.287 13.883 0.438 1.00 0.00 H new ATOM 1646 N ASN B 21 2.604 16.892 0.624 1.00 0.00 N ATOM 1647 CA ASN B 21 2.321 18.186 1.237 1.00 0.00 C ATOM 1648 C ASN B 21 1.121 18.083 2.167 1.00 0.00 C ATOM 1649 O ASN B 21 1.171 18.542 3.308 1.00 0.00 O ATOM 1650 CB ASN B 21 2.060 19.258 0.175 1.00 0.00 C ATOM 1651 CG ASN B 21 1.739 20.608 0.795 1.00 0.00 C ATOM 1652 OD1 ASN B 21 0.576 20.947 1.019 1.00 0.00 O ATOM 1653 ND2 ASN B 21 2.768 21.388 1.080 1.00 0.00 N ATOM 0 H ASN B 21 2.530 16.879 -0.393 1.00 0.00 H new ATOM 0 HA ASN B 21 3.199 18.478 1.813 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.936 19.353 -0.467 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.232 18.945 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN B 21 2.612 22.305 1.500 1.00 0.00 H new ATOM 0 HD22 ASN B 21 3.717 21.073 0.880 1.00 0.00 H new ATOM 1660 N VAL B 22 0.053 17.464 1.676 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.152 17.274 2.472 1.00 0.00 C ATOM 1662 C VAL B 22 -0.837 16.468 3.730 1.00 0.00 C ATOM 1663 O VAL B 22 -1.236 16.839 4.834 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.257 16.557 1.665 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.524 16.402 2.493 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.551 17.308 0.376 1.00 0.00 C ATOM 0 H VAL B 22 -0.002 17.086 0.730 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.517 18.262 2.753 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.895 15.561 1.410 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.286 15.894 1.901 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.306 15.815 3.385 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.889 17.386 2.787 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.332 16.787 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.885 18.318 0.612 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.647 17.357 -0.231 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.095 15.382 3.559 1.00 0.00 N ATOM 1677 CA LEU B 23 0.283 14.531 4.680 1.00 0.00 C ATOM 1678 C LEU B 23 1.172 15.284 5.670 1.00 0.00 C ATOM 1679 O LEU B 23 0.905 15.295 6.870 1.00 0.00 O ATOM 1680 CB LEU B 23 1.007 13.278 4.180 1.00 0.00 C ATOM 1681 CG LEU B 23 1.446 12.300 5.273 1.00 0.00 C ATOM 1682 CD1 LEU B 23 0.239 11.733 6.003 1.00 0.00 C ATOM 1683 CD2 LEU B 23 2.287 11.179 4.681 1.00 0.00 C ATOM 0 H LEU B 23 0.257 15.069 2.654 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.631 14.234 5.195 1.00 0.00 H new ATOM 0 HB2 LEU B 23 0.352 12.752 3.486 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.887 13.587 3.616 1.00 0.00 H new ATOM 0 HG LEU B 23 2.056 12.845 5.993 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.573 11.040 6.775 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.323 12.546 6.463 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -0.400 11.206 5.295 1.00 0.00 H new ATOM 0 HD21 LEU B 23 2.590 10.494 5.473 1.00 0.00 H new ATOM 0 HD22 LEU B 23 1.701 10.638 3.938 1.00 0.00 H new ATOM 0 HD23 LEU B 23 3.174 11.601 4.207 1.00 0.00 H new ATOM 1695 N GLU B 24 2.212 15.933 5.157 1.00 0.00 N ATOM 1696 CA GLU B 24 3.205 16.592 6.001 1.00 0.00 C ATOM 1697 C GLU B 24 2.627 17.812 6.710 1.00 0.00 C ATOM 1698 O GLU B 24 3.044 18.152 7.811 1.00 0.00 O ATOM 1699 CB GLU B 24 4.419 17.008 5.169 1.00 0.00 C ATOM 1700 CG GLU B 24 5.541 17.614 5.993 1.00 0.00 C ATOM 1701 CD GLU B 24 6.699 18.081 5.141 1.00 0.00 C ATOM 1702 OE1 GLU B 24 7.580 17.258 4.825 1.00 0.00 O ATOM 1703 OE2 GLU B 24 6.734 19.276 4.781 1.00 0.00 O ATOM 0 H GLU B 24 2.390 16.017 4.156 1.00 0.00 H new ATOM 0 HA GLU B 24 3.512 15.874 6.761 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.800 16.137 4.637 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.103 17.729 4.415 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.153 18.456 6.565 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.898 16.877 6.713 1.00 0.00 H new ATOM 1710 N LYS B 25 1.669 18.477 6.083 1.00 0.00 N ATOM 1711 CA LYS B 25 1.074 19.662 6.683 1.00 0.00 C ATOM 1712 C LYS B 25 0.170 19.266 7.853 1.00 0.00 C ATOM 1713 O LYS B 25 -0.106 20.069 8.742 1.00 0.00 O ATOM 1714 CB LYS B 25 0.307 20.472 5.630 1.00 0.00 C ATOM 1715 CG LYS B 25 -0.015 21.894 6.066 1.00 0.00 C ATOM 1716 CD LYS B 25 -1.418 22.010 6.635 1.00 0.00 C ATOM 1717 CE LYS B 25 -2.457 22.157 5.535 1.00 0.00 C ATOM 1718 NZ LYS B 25 -2.276 23.423 4.776 1.00 0.00 N ATOM 0 H LYS B 25 1.291 18.221 5.171 1.00 0.00 H new ATOM 0 HA LYS B 25 1.869 20.297 7.073 1.00 0.00 H new ATOM 0 HB2 LYS B 25 0.895 20.507 4.713 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -0.623 19.955 5.393 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.708 22.216 6.815 1.00 0.00 H new ATOM 0 HG3 LYS B 25 0.088 22.566 5.214 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.643 21.127 7.233 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.470 22.870 7.303 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.387 21.310 4.853 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.456 22.133 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -3.182 23.706 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.947 24.170 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.572 23.279 4.024 1.00 0.00 H new ATOM 1732 N HIS B 26 -0.275 18.014 7.855 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.076 17.495 8.959 1.00 0.00 C ATOM 1734 C HIS B 26 -0.181 16.791 9.975 1.00 0.00 C ATOM 1735 O HIS B 26 -0.338 16.979 11.178 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.156 16.530 8.452 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.265 17.197 7.691 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.599 17.018 7.988 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -3.232 18.030 6.626 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.333 17.711 7.137 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -4.528 18.335 6.300 1.00 0.00 N ATOM 0 H HIS B 26 -0.096 17.342 7.109 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.571 18.338 9.442 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.688 15.782 7.811 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.582 15.999 9.303 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.346 18.389 6.124 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.412 17.759 7.128 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -4.821 18.944 5.536 1.00 0.00 H new ATOM 1750 N LYS B 27 0.762 15.996 9.465 1.00 0.00 N ATOM 1751 CA LYS B 27 1.711 15.238 10.287 1.00 0.00 C ATOM 1752 C LYS B 27 1.012 14.299 11.263 1.00 0.00 C ATOM 1753 O LYS B 27 0.653 14.679 12.379 1.00 0.00 O ATOM 1754 CB LYS B 27 2.684 16.166 11.022 1.00 0.00 C ATOM 1755 CG LYS B 27 3.869 16.575 10.161 1.00 0.00 C ATOM 1756 CD LYS B 27 4.762 17.594 10.849 1.00 0.00 C ATOM 1757 CE LYS B 27 4.061 18.932 11.024 1.00 0.00 C ATOM 1758 NZ LYS B 27 4.987 19.973 11.541 1.00 0.00 N ATOM 0 H LYS B 27 0.890 15.858 8.463 1.00 0.00 H new ATOM 0 HA LYS B 27 2.288 14.617 9.601 1.00 0.00 H new ATOM 0 HB2 LYS B 27 2.151 17.059 11.348 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.048 15.667 11.920 1.00 0.00 H new ATOM 0 HG2 LYS B 27 4.456 15.691 9.912 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.505 16.991 9.221 1.00 0.00 H new ATOM 0 HD2 LYS B 27 5.065 17.212 11.824 1.00 0.00 H new ATOM 0 HD3 LYS B 27 5.671 17.734 10.265 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.648 19.254 10.068 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.223 18.817 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.474 20.872 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 5.362 19.676 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 5.774 20.101 10.873 1.00 0.00 H new ATOM 1772 N ALA B 28 0.829 13.065 10.825 1.00 0.00 N ATOM 1773 CA ALA B 28 0.215 12.040 11.647 1.00 0.00 C ATOM 1774 C ALA B 28 1.235 10.953 11.969 1.00 0.00 C ATOM 1775 O ALA B 28 2.219 10.795 11.243 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.993 11.448 10.929 1.00 0.00 C ATOM 0 H ALA B 28 1.101 12.748 9.894 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.124 12.486 12.582 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.447 10.679 11.554 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.722 12.235 10.734 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.675 11.006 9.985 1.00 0.00 H new ATOM 1782 N PRO B 29 1.030 10.210 13.072 1.00 0.00 N ATOM 1783 CA PRO B 29 1.912 9.105 13.463 1.00 0.00 C ATOM 1784 C PRO B 29 2.153 8.126 12.320 1.00 0.00 C ATOM 1785 O PRO B 29 1.243 7.832 11.539 1.00 0.00 O ATOM 1786 CB PRO B 29 1.145 8.423 14.594 1.00 0.00 C ATOM 1787 CG PRO B 29 0.309 9.503 15.183 1.00 0.00 C ATOM 1788 CD PRO B 29 -0.066 10.404 14.040 1.00 0.00 C ATOM 0 HA PRO B 29 2.902 9.457 13.752 1.00 0.00 H new ATOM 0 HB2 PRO B 29 0.530 7.605 14.219 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.824 7.998 15.334 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.579 9.092 15.663 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.860 10.051 15.947 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.031 10.130 13.613 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.141 11.444 14.357 1.00 0.00 H new ATOM 1796 N THR B 30 3.378 7.631 12.222 1.00 0.00 N ATOM 1797 CA THR B 30 3.736 6.659 11.200 1.00 0.00 C ATOM 1798 C THR B 30 2.878 5.404 11.343 1.00 0.00 C ATOM 1799 O THR B 30 2.458 4.808 10.352 1.00 0.00 O ATOM 1800 CB THR B 30 5.225 6.284 11.299 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.013 7.478 11.393 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.670 5.476 10.085 1.00 0.00 C ATOM 0 H THR B 30 4.145 7.889 12.842 1.00 0.00 H new ATOM 0 HA THR B 30 3.555 7.110 10.224 1.00 0.00 H new ATOM 0 HB THR B 30 5.366 5.672 12.190 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.961 7.240 11.458 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.726 5.225 10.182 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.083 4.559 10.023 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.519 6.065 9.180 1.00 0.00 H new ATOM 1810 N ASP B 31 2.609 5.034 12.590 1.00 0.00 N ATOM 1811 CA ASP B 31 1.726 3.915 12.903 1.00 0.00 C ATOM 1812 C ASP B 31 0.368 4.089 12.222 1.00 0.00 C ATOM 1813 O ASP B 31 -0.137 3.175 11.563 1.00 0.00 O ATOM 1814 CB ASP B 31 1.547 3.815 14.420 1.00 0.00 C ATOM 1815 CG ASP B 31 0.494 2.806 14.832 1.00 0.00 C ATOM 1816 OD1 ASP B 31 0.782 1.590 14.805 1.00 0.00 O ATOM 1817 OD2 ASP B 31 -0.619 3.228 15.213 1.00 0.00 O ATOM 0 H ASP B 31 2.996 5.500 13.411 1.00 0.00 H new ATOM 0 HA ASP B 31 2.177 2.996 12.530 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.500 3.542 14.874 1.00 0.00 H new ATOM 0 HB3 ASP B 31 1.275 4.795 14.813 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.201 5.279 12.366 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.483 5.596 11.753 1.00 0.00 C ATOM 1824 C LEU B 32 -1.350 5.691 10.239 1.00 0.00 C ATOM 1825 O LEU B 32 -2.219 5.230 9.506 1.00 0.00 O ATOM 1826 CB LEU B 32 -2.035 6.911 12.305 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.329 7.393 11.646 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.457 6.396 11.867 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.714 8.762 12.176 1.00 0.00 C ATOM 0 H LEU B 32 0.208 6.043 12.904 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.177 4.791 11.996 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.211 6.794 13.374 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.275 7.684 12.189 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.156 7.472 10.573 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.365 6.762 11.389 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.182 5.434 11.435 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.633 6.277 12.936 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.636 9.091 11.698 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.864 8.706 13.254 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.918 9.474 11.957 1.00 0.00 H new ATOM 1841 N SER B 33 -0.256 6.283 9.779 1.00 0.00 N ATOM 1842 CA SER B 33 -0.011 6.433 8.352 1.00 0.00 C ATOM 1843 C SER B 33 0.005 5.071 7.659 1.00 0.00 C ATOM 1844 O SER B 33 -0.592 4.902 6.597 1.00 0.00 O ATOM 1845 CB SER B 33 1.307 7.174 8.118 1.00 0.00 C ATOM 1846 OG SER B 33 1.285 8.452 8.734 1.00 0.00 O ATOM 0 H SER B 33 0.477 6.668 10.375 1.00 0.00 H new ATOM 0 HA SER B 33 -0.822 7.021 7.921 1.00 0.00 H new ATOM 0 HB2 SER B 33 2.135 6.588 8.517 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.482 7.285 7.048 1.00 0.00 H new ATOM 0 HG SER B 33 1.284 8.346 9.708 1.00 0.00 H new ATOM 1852 N LEU B 34 0.663 4.096 8.281 1.00 0.00 N ATOM 1853 CA LEU B 34 0.702 2.739 7.747 1.00 0.00 C ATOM 1854 C LEU B 34 -0.692 2.120 7.753 1.00 0.00 C ATOM 1855 O LEU B 34 -1.045 1.353 6.858 1.00 0.00 O ATOM 1856 CB LEU B 34 1.667 1.869 8.556 1.00 0.00 C ATOM 1857 CG LEU B 34 3.130 2.322 8.533 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.980 1.427 9.420 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.667 2.326 7.109 1.00 0.00 C ATOM 0 H LEU B 34 1.176 4.221 9.154 1.00 0.00 H new ATOM 0 HA LEU B 34 1.057 2.789 6.718 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.327 1.844 9.591 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.614 0.848 8.179 1.00 0.00 H new ATOM 0 HG LEU B 34 3.180 3.339 8.922 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.016 1.764 9.391 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.612 1.475 10.445 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.923 0.399 9.061 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.708 2.651 7.113 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.602 1.321 6.693 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.076 3.010 6.499 1.00 0.00 H new ATOM 1871 N MET B 35 -1.481 2.463 8.765 1.00 0.00 N ATOM 1872 CA MET B 35 -2.853 1.981 8.864 1.00 0.00 C ATOM 1873 C MET B 35 -3.704 2.563 7.737 1.00 0.00 C ATOM 1874 O MET B 35 -4.386 1.825 7.019 1.00 0.00 O ATOM 1875 CB MET B 35 -3.441 2.342 10.237 1.00 0.00 C ATOM 1876 CG MET B 35 -4.854 1.825 10.480 1.00 0.00 C ATOM 1877 SD MET B 35 -6.129 2.828 9.688 1.00 0.00 S ATOM 1878 CE MET B 35 -7.607 1.930 10.152 1.00 0.00 C ATOM 0 H MET B 35 -1.193 3.074 9.529 1.00 0.00 H new ATOM 0 HA MET B 35 -2.855 0.896 8.763 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.786 1.947 11.013 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.442 3.427 10.343 1.00 0.00 H new ATOM 0 HG2 MET B 35 -4.927 0.801 10.113 1.00 0.00 H new ATOM 0 HG3 MET B 35 -5.042 1.793 11.553 1.00 0.00 H new ATOM 0 HE1 MET B 35 -8.482 2.429 9.735 1.00 0.00 H new ATOM 0 HE2 MET B 35 -7.551 0.913 9.765 1.00 0.00 H new ATOM 0 HE3 MET B 35 -7.689 1.901 11.239 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.644 3.883 7.575 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.416 4.571 6.544 1.00 0.00 C ATOM 1890 C VAL B 36 -4.024 4.081 5.153 1.00 0.00 C ATOM 1891 O VAL B 36 -4.887 3.722 4.352 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.235 6.106 6.619 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.017 6.801 5.511 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.667 6.629 7.982 1.00 0.00 C ATOM 0 H VAL B 36 -3.066 4.499 8.147 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.465 4.339 6.727 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.177 6.329 6.480 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.873 7.879 5.585 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.661 6.454 4.541 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.077 6.568 5.613 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.533 7.710 8.016 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.717 6.388 8.148 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.061 6.163 8.759 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.722 4.046 4.881 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.226 3.589 3.588 1.00 0.00 C ATOM 1906 C LEU B 37 -2.605 2.132 3.346 1.00 0.00 C ATOM 1907 O LEU B 37 -2.965 1.755 2.232 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.707 3.763 3.499 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.214 5.212 3.553 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.306 5.262 3.506 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.811 6.026 2.413 1.00 0.00 C ATOM 0 H LEU B 37 -1.994 4.328 5.537 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.692 4.199 2.814 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.245 3.208 4.315 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.359 3.312 2.570 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.544 5.650 4.495 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.637 6.300 3.545 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.714 4.718 4.358 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.657 4.804 2.581 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.448 7.052 2.470 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.515 5.589 1.460 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.898 6.021 2.493 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.538 1.322 4.398 1.00 0.00 N ATOM 1924 CA GLY B 38 -2.927 -0.070 4.291 1.00 0.00 C ATOM 1925 C GLY B 38 -4.384 -0.224 3.906 1.00 0.00 C ATOM 1926 O GLY B 38 -4.715 -0.950 2.967 1.00 0.00 O ATOM 0 H GLY B 38 -2.220 1.607 5.324 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.301 -0.565 3.548 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.749 -0.570 5.243 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.253 0.481 4.624 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.684 0.469 4.335 1.00 0.00 C ATOM 1932 C ASN B 39 -6.944 1.009 2.933 1.00 0.00 C ATOM 1933 O ASN B 39 -7.789 0.491 2.196 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.435 1.312 5.375 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.938 1.347 5.144 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.672 0.489 5.631 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.406 2.350 4.416 1.00 0.00 N ATOM 0 H ASN B 39 -4.990 1.070 5.414 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.045 -0.558 4.385 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.236 0.913 6.370 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.047 2.330 5.357 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.408 2.430 4.242 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.764 3.042 4.029 1.00 0.00 H new ATOM 1944 N MET B 40 -6.196 2.045 2.574 1.00 0.00 N ATOM 1945 CA MET B 40 -6.301 2.674 1.263 1.00 0.00 C ATOM 1946 C MET B 40 -5.999 1.673 0.150 1.00 0.00 C ATOM 1947 O MET B 40 -6.834 1.439 -0.724 1.00 0.00 O ATOM 1948 CB MET B 40 -5.336 3.857 1.186 1.00 0.00 C ATOM 1949 CG MET B 40 -5.403 4.634 -0.115 1.00 0.00 C ATOM 1950 SD MET B 40 -4.281 6.045 -0.115 1.00 0.00 S ATOM 1951 CE MET B 40 -4.646 6.772 -1.706 1.00 0.00 C ATOM 0 H MET B 40 -5.499 2.473 3.184 1.00 0.00 H new ATOM 0 HA MET B 40 -7.323 3.029 1.127 1.00 0.00 H new ATOM 0 HB2 MET B 40 -5.546 4.536 2.012 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.319 3.491 1.325 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.155 3.973 -0.946 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.423 4.982 -0.278 1.00 0.00 H new ATOM 0 HE1 MET B 40 -3.791 7.358 -2.043 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.852 5.982 -2.428 1.00 0.00 H new ATOM 0 HE3 MET B 40 -5.518 7.420 -1.618 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.812 1.075 0.198 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.392 0.117 -0.819 1.00 0.00 C ATOM 1963 C VAL B 41 -5.360 -1.061 -0.894 1.00 0.00 C ATOM 1964 O VAL B 41 -5.778 -1.455 -1.983 1.00 0.00 O ATOM 1965 CB VAL B 41 -2.964 -0.407 -0.551 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.576 -1.477 -1.563 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -1.959 0.737 -0.584 1.00 0.00 C ATOM 0 H VAL B 41 -4.123 1.238 0.932 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.395 0.644 -1.773 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.952 -0.855 0.443 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.566 -1.829 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.273 -2.312 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.611 -1.057 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.959 0.348 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -1.982 1.213 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.216 1.469 0.182 1.00 0.00 H new ATOM 1977 N THR B 42 -5.732 -1.598 0.263 1.00 0.00 N ATOM 1978 CA THR B 42 -6.646 -2.734 0.324 1.00 0.00 C ATOM 1979 C THR B 42 -7.945 -2.437 -0.429 1.00 0.00 C ATOM 1980 O THR B 42 -8.362 -3.208 -1.293 1.00 0.00 O ATOM 1981 CB THR B 42 -6.973 -3.109 1.785 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.760 -3.356 2.506 1.00 0.00 O ATOM 1983 CG2 THR B 42 -7.859 -4.344 1.853 1.00 0.00 C ATOM 0 H THR B 42 -5.414 -1.264 1.173 1.00 0.00 H new ATOM 0 HA THR B 42 -6.145 -3.576 -0.153 1.00 0.00 H new ATOM 0 HB THR B 42 -7.510 -2.274 2.234 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.429 -2.516 2.886 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.071 -4.582 2.895 1.00 0.00 H new ATOM 0 HG22 THR B 42 -8.794 -4.150 1.327 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.347 -5.185 1.385 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.562 -1.301 -0.122 1.00 0.00 N ATOM 1992 CA ASN B 43 -9.824 -0.926 -0.755 1.00 0.00 C ATOM 1993 C ASN B 43 -9.642 -0.650 -2.241 1.00 0.00 C ATOM 1994 O ASN B 43 -10.518 -0.974 -3.047 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.444 0.287 -0.059 1.00 0.00 C ATOM 1996 CG ASN B 43 -11.201 -0.097 1.198 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -12.402 -0.364 1.154 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -10.509 -0.126 2.326 1.00 0.00 N ATOM 0 H ASN B 43 -8.212 -0.626 0.558 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.505 -1.771 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.658 0.998 0.195 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -11.121 0.792 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.970 -0.376 3.201 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -9.515 0.102 2.320 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.504 -0.064 -2.604 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.191 0.207 -4.006 1.00 0.00 C ATOM 2007 C LEU B 44 -8.156 -1.087 -4.813 1.00 0.00 C ATOM 2008 O LEU B 44 -8.790 -1.190 -5.864 1.00 0.00 O ATOM 2009 CB LEU B 44 -6.845 0.934 -4.126 1.00 0.00 C ATOM 2010 CG LEU B 44 -6.927 2.434 -4.431 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.530 2.669 -5.807 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -7.736 3.161 -3.367 1.00 0.00 C ATOM 0 H LEU B 44 -7.782 0.233 -1.947 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.976 0.848 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.296 0.801 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.262 0.453 -4.911 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.914 2.835 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.580 3.740 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -6.909 2.189 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.534 2.247 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.780 4.224 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.747 2.754 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -7.262 3.027 -2.395 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.432 -2.077 -4.301 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.303 -3.365 -4.974 1.00 0.00 C ATOM 2026 C ILE B 45 -8.657 -4.068 -5.060 1.00 0.00 C ATOM 2027 O ILE B 45 -8.985 -4.691 -6.069 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.306 -4.295 -4.238 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -4.957 -3.598 -4.024 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.112 -5.593 -5.009 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.248 -3.210 -5.302 1.00 0.00 C ATOM 0 H ILE B 45 -6.924 -2.012 -3.419 1.00 0.00 H new ATOM 0 HA ILE B 45 -6.926 -3.163 -5.977 1.00 0.00 H new ATOM 0 HB ILE B 45 -6.728 -4.529 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.115 -2.702 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -4.308 -4.257 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.408 -6.232 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.069 -6.107 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.720 -5.371 -6.002 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.303 -2.723 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.055 -4.103 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.875 -2.524 -5.872 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.444 -3.943 -4.000 1.00 0.00 N ATOM 2044 CA ASN B 46 -10.716 -4.650 -3.905 1.00 0.00 C ATOM 2045 C ASN B 46 -11.781 -4.067 -4.828 1.00 0.00 C ATOM 2046 O ASN B 46 -12.549 -4.810 -5.433 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.235 -4.650 -2.464 1.00 0.00 C ATOM 2048 CG ASN B 46 -10.395 -5.505 -1.538 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -9.755 -6.466 -1.969 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -10.406 -5.181 -0.256 1.00 0.00 N ATOM 0 H ASN B 46 -9.225 -3.359 -3.193 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.521 -5.674 -4.224 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.253 -3.627 -2.089 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.263 -5.012 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -9.872 -5.734 0.414 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -10.948 -4.378 0.062 1.00 0.00 H new ATOM 2057 N THR B 47 -11.837 -2.747 -4.937 1.00 0.00 N ATOM 2058 CA THR B 47 -12.935 -2.108 -5.654 1.00 0.00 C ATOM 2059 C THR B 47 -12.541 -1.644 -7.059 1.00 0.00 C ATOM 2060 O THR B 47 -13.227 -1.956 -8.033 1.00 0.00 O ATOM 2061 CB THR B 47 -13.508 -0.918 -4.856 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.473 0.029 -4.552 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.154 -1.396 -3.563 1.00 0.00 C ATOM 0 H THR B 47 -11.148 -2.105 -4.546 1.00 0.00 H new ATOM 0 HA THR B 47 -13.703 -2.873 -5.764 1.00 0.00 H new ATOM 0 HB THR B 47 -14.266 -0.435 -5.473 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.848 -0.365 -3.908 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.551 -0.540 -3.017 1.00 0.00 H new ATOM 0 HG22 THR B 47 -14.965 -2.086 -3.795 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.409 -1.904 -2.950 1.00 0.00 H new ATOM 2071 N SER B 48 -11.435 -0.918 -7.167 1.00 0.00 N ATOM 2072 CA SER B 48 -11.045 -0.305 -8.431 1.00 0.00 C ATOM 2073 C SER B 48 -10.434 -1.327 -9.390 1.00 0.00 C ATOM 2074 O SER B 48 -10.238 -1.046 -10.577 1.00 0.00 O ATOM 2075 CB SER B 48 -10.056 0.829 -8.166 1.00 0.00 C ATOM 2076 OG SER B 48 -10.551 1.708 -7.168 1.00 0.00 O ATOM 0 H SER B 48 -10.793 -0.739 -6.395 1.00 0.00 H new ATOM 0 HA SER B 48 -11.941 0.094 -8.906 1.00 0.00 H new ATOM 0 HB2 SER B 48 -9.098 0.416 -7.850 1.00 0.00 H new ATOM 0 HB3 SER B 48 -9.876 1.383 -9.087 1.00 0.00 H new ATOM 0 HG SER B 48 -10.208 2.612 -7.329 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.136 -2.509 -8.878 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.550 -3.562 -9.687 1.00 0.00 C ATOM 2084 C ILE B 49 -10.529 -4.725 -9.825 1.00 0.00 C ATOM 2085 O ILE B 49 -11.313 -4.991 -8.914 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.212 -4.046 -9.083 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.232 -2.871 -9.007 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.620 -5.185 -9.904 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -5.893 -3.228 -8.407 1.00 0.00 C ATOM 0 H ILE B 49 -10.291 -2.763 -7.902 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.343 -3.158 -10.678 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.398 -4.426 -8.078 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.075 -2.476 -10.011 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -7.682 -2.073 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.679 -5.506 -9.456 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.318 -6.022 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.439 -4.843 -10.923 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -5.256 -2.344 -8.388 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.036 -3.594 -7.390 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.420 -4.004 -9.009 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.498 -5.377 -10.985 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.380 -6.503 -11.275 1.00 0.00 C ATOM 2103 C ALA B 50 -11.321 -7.561 -10.174 1.00 0.00 C ATOM 2104 O ALA B 50 -10.249 -8.078 -9.851 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.015 -7.116 -12.618 1.00 0.00 C ATOM 0 H ALA B 50 -9.863 -5.140 -11.747 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.403 -6.128 -11.317 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.678 -7.956 -12.827 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.122 -6.366 -13.401 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.983 -7.467 -12.590 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.486 -7.894 -9.593 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.594 -8.831 -8.467 1.00 0.00 C ATOM 2113 C PRO B 51 -11.929 -10.180 -8.729 1.00 0.00 C ATOM 2114 O PRO B 51 -11.380 -10.794 -7.813 1.00 0.00 O ATOM 2115 CB PRO B 51 -14.103 -9.011 -8.297 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.690 -7.758 -8.843 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.803 -7.363 -9.988 1.00 0.00 C ATOM 0 HA PRO B 51 -12.084 -8.443 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.462 -9.886 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.371 -9.152 -7.250 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.715 -7.919 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.722 -6.977 -8.084 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.145 -7.794 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.777 -6.282 -10.123 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.954 -10.626 -9.980 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.418 -11.938 -10.332 1.00 0.00 C ATOM 2127 C ALA B 52 -9.895 -11.987 -10.221 1.00 0.00 C ATOM 2128 O ALA B 52 -9.304 -13.069 -10.264 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.855 -12.332 -11.735 1.00 0.00 C ATOM 0 H ALA B 52 -12.338 -10.101 -10.766 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.821 -12.653 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.447 -13.312 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.943 -12.370 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.488 -11.596 -12.450 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.257 -10.830 -10.077 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.802 -10.782 -9.979 1.00 0.00 C ATOM 2137 C GLN B 53 -7.346 -9.956 -8.776 1.00 0.00 C ATOM 2138 O GLN B 53 -6.190 -9.532 -8.710 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.189 -10.219 -11.267 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.577 -8.781 -11.564 1.00 0.00 C ATOM 2141 CD GLN B 53 -6.879 -8.240 -12.796 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -7.521 -7.307 -13.478 1.00 0.00 O flip ATOM 2143 NE2 GLN B 53 -5.770 -8.657 -13.130 1.00 0.00 N flip ATOM 0 H GLN B 53 -9.718 -9.922 -10.026 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.452 -11.805 -9.838 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.103 -10.284 -11.198 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.493 -10.846 -12.105 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.656 -8.720 -11.704 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.331 -8.156 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.308 -9.378 -12.576 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.313 -8.281 -13.961 1.00 0.00 H new ATOM 2152 N ARG B 54 -8.246 -9.756 -7.817 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.937 -8.983 -6.612 1.00 0.00 C ATOM 2154 C ARG B 54 -6.722 -9.547 -5.877 1.00 0.00 C ATOM 2155 O ARG B 54 -5.797 -8.813 -5.530 1.00 0.00 O ATOM 2156 CB ARG B 54 -9.144 -8.963 -5.674 1.00 0.00 C ATOM 2157 CG ARG B 54 -10.230 -7.982 -6.084 1.00 0.00 C ATOM 2158 CD ARG B 54 -11.477 -8.143 -5.227 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.177 -8.098 -3.797 1.00 0.00 N ATOM 2160 CZ ARG B 54 -11.966 -8.610 -2.852 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -13.152 -9.114 -3.169 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -11.585 -8.578 -1.582 1.00 0.00 N ATOM 0 H ARG B 54 -9.199 -10.119 -7.849 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.701 -7.966 -6.925 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.572 -9.964 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.805 -8.715 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.854 -6.963 -5.994 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -10.485 -8.137 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -12.188 -7.354 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.959 -9.091 -5.465 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.310 -7.647 -3.504 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -13.464 -9.111 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.751 -9.504 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -10.689 -8.162 -1.329 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -12.188 -8.970 -0.859 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.715 -10.856 -5.666 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.642 -11.504 -4.920 1.00 0.00 C ATOM 2178 C GLN B 55 -4.353 -11.521 -5.732 1.00 0.00 C ATOM 2179 O GLN B 55 -3.257 -11.378 -5.184 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.041 -12.932 -4.544 1.00 0.00 C ATOM 2181 CG GLN B 55 -7.229 -13.005 -3.602 1.00 0.00 C ATOM 2182 CD GLN B 55 -7.701 -14.425 -3.382 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -8.574 -14.919 -4.094 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -7.129 -15.094 -2.393 1.00 0.00 N ATOM 0 H GLN B 55 -7.440 -11.491 -6.000 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.470 -10.932 -4.008 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -6.275 -13.486 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.189 -13.428 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -6.958 -12.562 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -8.048 -12.411 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -6.408 -14.648 -1.825 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -7.409 -16.055 -2.199 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.492 -11.690 -7.041 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.344 -11.718 -7.938 1.00 0.00 C ATOM 2195 C ALA B 56 -2.605 -10.383 -7.921 1.00 0.00 C ATOM 2196 O ALA B 56 -1.375 -10.342 -7.860 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.782 -12.063 -9.353 1.00 0.00 C ATOM 0 H ALA B 56 -5.392 -11.810 -7.506 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.659 -12.490 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.912 -12.079 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.259 -13.043 -9.358 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.490 -11.314 -9.708 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.361 -9.292 -7.963 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.772 -7.961 -7.926 1.00 0.00 C ATOM 2205 C ILE B 57 -2.178 -7.679 -6.549 1.00 0.00 C ATOM 2206 O ILE B 57 -1.108 -7.083 -6.440 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.802 -6.867 -8.287 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.380 -7.111 -9.685 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -3.165 -5.485 -8.211 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -3.341 -7.128 -10.787 1.00 0.00 C ATOM 0 H ILE B 57 -4.379 -9.304 -8.022 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.979 -7.936 -8.674 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.616 -6.913 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -4.911 -8.063 -9.686 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -5.114 -6.336 -9.904 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.906 -4.728 -8.469 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.801 -5.307 -7.199 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.331 -5.430 -8.911 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.830 -7.306 -11.745 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -2.825 -6.168 -10.816 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -2.619 -7.922 -10.595 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.865 -8.132 -5.502 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.381 -7.960 -4.134 1.00 0.00 C ATOM 2224 C ALA B 58 -0.996 -8.576 -3.957 1.00 0.00 C ATOM 2225 O ALA B 58 -0.099 -7.956 -3.387 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.362 -8.572 -3.147 1.00 0.00 C ATOM 0 H ALA B 58 -3.758 -8.620 -5.575 1.00 0.00 H new ATOM 0 HA ALA B 58 -2.301 -6.891 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.989 -8.437 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.331 -8.082 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.471 -9.636 -3.355 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.823 -9.795 -4.461 1.00 0.00 N ATOM 2233 CA ASN B 59 0.468 -10.475 -4.388 1.00 0.00 C ATOM 2234 C ASN B 59 1.512 -9.745 -5.220 1.00 0.00 C ATOM 2235 O ASN B 59 2.671 -9.634 -4.822 1.00 0.00 O ATOM 2236 CB ASN B 59 0.354 -11.931 -4.858 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.195 -12.857 -3.788 1.00 0.00 C ATOM 2238 OD1 ASN B 59 0.556 -13.410 -2.986 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.506 -13.042 -3.772 1.00 0.00 N ATOM 0 H ASN B 59 -1.558 -10.331 -4.923 1.00 0.00 H new ATOM 0 HA ASN B 59 0.782 -10.471 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.292 -11.975 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.337 -12.285 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -1.925 -13.661 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -2.097 -12.566 -4.454 1.00 0.00 H new ATOM 2246 N SER B 60 1.094 -9.239 -6.373 1.00 0.00 N ATOM 2247 CA SER B 60 1.992 -8.516 -7.262 1.00 0.00 C ATOM 2248 C SER B 60 2.404 -7.176 -6.649 1.00 0.00 C ATOM 2249 O SER B 60 3.516 -6.696 -6.871 1.00 0.00 O ATOM 2250 CB SER B 60 1.321 -8.311 -8.620 1.00 0.00 C ATOM 2251 OG SER B 60 0.945 -9.558 -9.183 1.00 0.00 O ATOM 0 H SER B 60 0.136 -9.317 -6.715 1.00 0.00 H new ATOM 0 HA SER B 60 2.897 -9.107 -7.403 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.442 -7.677 -8.505 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.002 -7.792 -9.294 1.00 0.00 H new ATOM 0 HG SER B 60 0.129 -9.881 -8.747 1.00 0.00 H new ATOM 2257 N PHE B 61 1.505 -6.584 -5.867 1.00 0.00 N ATOM 2258 CA PHE B 61 1.811 -5.355 -5.147 1.00 0.00 C ATOM 2259 C PHE B 61 2.885 -5.626 -4.101 1.00 0.00 C ATOM 2260 O PHE B 61 3.848 -4.869 -3.972 1.00 0.00 O ATOM 2261 CB PHE B 61 0.547 -4.789 -4.486 1.00 0.00 C ATOM 2262 CG PHE B 61 0.765 -3.474 -3.786 1.00 0.00 C ATOM 2263 CD1 PHE B 61 0.745 -2.285 -4.499 1.00 0.00 C ATOM 2264 CD2 PHE B 61 0.991 -3.429 -2.420 1.00 0.00 C ATOM 2265 CE1 PHE B 61 0.946 -1.075 -3.859 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.193 -2.224 -1.777 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.170 -1.045 -2.497 1.00 0.00 C ATOM 0 H PHE B 61 0.560 -6.937 -5.717 1.00 0.00 H new ATOM 0 HA PHE B 61 2.184 -4.614 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE B 61 -0.224 -4.662 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.168 -5.515 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE B 61 0.571 -2.304 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.009 -4.347 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE B 61 0.928 -0.155 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.369 -2.203 -0.712 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.327 -0.102 -1.995 1.00 0.00 H new ATOM 2277 N ALA B 62 2.724 -6.726 -3.373 1.00 0.00 N ATOM 2278 CA ALA B 62 3.709 -7.140 -2.384 1.00 0.00 C ATOM 2279 C ALA B 62 5.044 -7.445 -3.057 1.00 0.00 C ATOM 2280 O ALA B 62 6.107 -7.121 -2.529 1.00 0.00 O ATOM 2281 CB ALA B 62 3.205 -8.355 -1.616 1.00 0.00 C ATOM 0 H ALA B 62 1.919 -7.347 -3.451 1.00 0.00 H new ATOM 0 HA ALA B 62 3.861 -6.323 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.951 -8.655 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.274 -8.104 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.030 -9.177 -2.310 1.00 0.00 H new ATOM 2287 N ARG B 63 4.973 -8.067 -4.228 1.00 0.00 N ATOM 2288 CA ARG B 63 6.149 -8.362 -5.026 1.00 0.00 C ATOM 2289 C ARG B 63 6.909 -7.079 -5.361 1.00 0.00 C ATOM 2290 O ARG B 63 8.125 -6.994 -5.167 1.00 0.00 O ATOM 2291 CB ARG B 63 5.730 -9.067 -6.315 1.00 0.00 C ATOM 2292 CG ARG B 63 6.855 -9.833 -6.975 1.00 0.00 C ATOM 2293 CD ARG B 63 7.343 -10.949 -6.069 1.00 0.00 C ATOM 2294 NE ARG B 63 6.297 -11.934 -5.798 1.00 0.00 N ATOM 2295 CZ ARG B 63 5.991 -12.949 -6.605 1.00 0.00 C ATOM 2296 NH1 ARG B 63 6.660 -13.129 -7.739 1.00 0.00 N ATOM 2297 NH2 ARG B 63 5.026 -13.795 -6.269 1.00 0.00 N ATOM 0 H ARG B 63 4.097 -8.379 -4.648 1.00 0.00 H new ATOM 0 HA ARG B 63 6.807 -9.013 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG B 63 4.913 -9.754 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG B 63 5.344 -8.327 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG B 63 6.512 -10.249 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG B 63 7.678 -9.156 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG B 63 8.196 -11.445 -6.532 1.00 0.00 H new ATOM 0 HD3 ARG B 63 7.693 -10.525 -5.128 1.00 0.00 H new ATOM 0 HE ARG B 63 5.766 -11.838 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG B 63 7.412 -12.489 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.422 -13.908 -8.353 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.519 -13.668 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.791 -14.572 -6.886 1.00 0.00 H new ATOM 2311 N ALA B 64 6.177 -6.084 -5.854 1.00 0.00 N ATOM 2312 CA ALA B 64 6.757 -4.794 -6.205 1.00 0.00 C ATOM 2313 C ALA B 64 7.366 -4.125 -4.979 1.00 0.00 C ATOM 2314 O ALA B 64 8.468 -3.579 -5.044 1.00 0.00 O ATOM 2315 CB ALA B 64 5.704 -3.892 -6.835 1.00 0.00 C ATOM 0 H ALA B 64 5.173 -6.149 -6.020 1.00 0.00 H new ATOM 0 HA ALA B 64 7.551 -4.962 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.153 -2.932 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.314 -4.363 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA B 64 4.890 -3.734 -6.128 1.00 0.00 H new ATOM 2321 N LEU B 65 6.645 -4.186 -3.865 1.00 0.00 N ATOM 2322 CA LEU B 65 7.117 -3.628 -2.603 1.00 0.00 C ATOM 2323 C LEU B 65 8.447 -4.261 -2.206 1.00 0.00 C ATOM 2324 O LEU B 65 9.427 -3.562 -1.959 1.00 0.00 O ATOM 2325 CB LEU B 65 6.076 -3.861 -1.502 1.00 0.00 C ATOM 2326 CG LEU B 65 6.428 -3.277 -0.131 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.458 -1.757 -0.185 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.441 -3.754 0.923 1.00 0.00 C ATOM 0 H LEU B 65 5.724 -4.620 -3.811 1.00 0.00 H new ATOM 0 HA LEU B 65 7.265 -2.556 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.127 -3.435 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU B 65 5.922 -4.934 -1.392 1.00 0.00 H new ATOM 0 HG LEU B 65 7.422 -3.629 0.144 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.710 -1.363 0.799 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.207 -1.433 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.479 -1.384 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.708 -3.328 1.890 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.435 -3.434 0.651 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.472 -4.842 0.984 1.00 0.00 H new ATOM 2340 N GLN B 66 8.469 -5.589 -2.173 1.00 0.00 N ATOM 2341 CA GLN B 66 9.665 -6.343 -1.804 1.00 0.00 C ATOM 2342 C GLN B 66 10.857 -5.978 -2.682 1.00 0.00 C ATOM 2343 O GLN B 66 11.967 -5.796 -2.186 1.00 0.00 O ATOM 2344 CB GLN B 66 9.383 -7.843 -1.908 1.00 0.00 C ATOM 2345 CG GLN B 66 8.531 -8.372 -0.768 1.00 0.00 C ATOM 2346 CD GLN B 66 9.288 -8.394 0.541 1.00 0.00 C ATOM 2347 OE1 GLN B 66 10.500 -8.600 0.561 1.00 0.00 O ATOM 2348 NE2 GLN B 66 8.586 -8.171 1.639 1.00 0.00 N ATOM 0 H GLN B 66 7.663 -6.172 -2.400 1.00 0.00 H new ATOM 0 HA GLN B 66 9.919 -6.085 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.880 -8.047 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.329 -8.384 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.641 -7.751 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN B 66 8.190 -9.379 -1.007 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.582 -8.004 1.577 1.00 0.00 H new ATOM 0 HE22 GLN B 66 9.049 -8.165 2.548 1.00 0.00 H new ATOM 2357 N SER B 67 10.609 -5.848 -3.977 1.00 0.00 N ATOM 2358 CA SER B 67 11.666 -5.550 -4.936 1.00 0.00 C ATOM 2359 C SER B 67 12.206 -4.133 -4.734 1.00 0.00 C ATOM 2360 O SER B 67 13.375 -3.856 -4.999 1.00 0.00 O ATOM 2361 CB SER B 67 11.133 -5.712 -6.360 1.00 0.00 C ATOM 2362 OG SER B 67 10.514 -6.979 -6.529 1.00 0.00 O ATOM 0 H SER B 67 9.682 -5.944 -4.390 1.00 0.00 H new ATOM 0 HA SER B 67 12.485 -6.250 -4.775 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.415 -4.921 -6.576 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.950 -5.604 -7.073 1.00 0.00 H new ATOM 0 HG SER B 67 9.609 -6.953 -6.155 1.00 0.00 H new ATOM 2368 N SER B 68 11.347 -3.246 -4.254 1.00 0.00 N ATOM 2369 CA SER B 68 11.727 -1.861 -4.031 1.00 0.00 C ATOM 2370 C SER B 68 12.473 -1.711 -2.705 1.00 0.00 C ATOM 2371 O SER B 68 13.338 -0.843 -2.559 1.00 0.00 O ATOM 2372 CB SER B 68 10.483 -0.974 -4.048 1.00 0.00 C ATOM 2373 OG SER B 68 9.744 -1.162 -5.245 1.00 0.00 O ATOM 0 H SER B 68 10.380 -3.462 -4.011 1.00 0.00 H new ATOM 0 HA SER B 68 12.397 -1.548 -4.832 1.00 0.00 H new ATOM 0 HB2 SER B 68 9.855 -1.205 -3.188 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.776 0.072 -3.957 1.00 0.00 H new ATOM 0 HG SER B 68 9.200 -1.973 -5.169 1.00 0.00 H new ATOM 2379 N ILE B 69 12.137 -2.566 -1.743 1.00 0.00 N ATOM 2380 CA ILE B 69 12.795 -2.559 -0.444 1.00 0.00 C ATOM 2381 C ILE B 69 14.252 -2.988 -0.583 1.00 0.00 C ATOM 2382 O ILE B 69 15.164 -2.261 -0.176 1.00 0.00 O ATOM 2383 CB ILE B 69 12.073 -3.480 0.565 1.00 0.00 C ATOM 2384 CG1 ILE B 69 10.650 -2.975 0.821 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.849 -3.561 1.872 1.00 0.00 C ATOM 2386 CD1 ILE B 69 9.836 -3.878 1.724 1.00 0.00 C ATOM 0 H ILE B 69 11.410 -3.274 -1.841 1.00 0.00 H new ATOM 0 HA ILE B 69 12.753 -1.539 -0.062 1.00 0.00 H new ATOM 0 HB ILE B 69 12.018 -4.481 0.137 1.00 0.00 H new ATOM 0 HG12 ILE B 69 10.701 -1.982 1.266 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.134 -2.870 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE B 69 12.323 -4.215 2.568 1.00 0.00 H new ATOM 0 HG22 ILE B 69 13.844 -3.962 1.680 1.00 0.00 H new ATOM 0 HG23 ILE B 69 12.936 -2.565 2.306 1.00 0.00 H new ATOM 0 HD11 ILE B 69 8.840 -3.455 1.859 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.753 -4.866 1.271 1.00 0.00 H new ATOM 0 HD13 ILE B 69 10.328 -3.963 2.693 1.00 0.00 H new