USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=25 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: B 47 THR OG1 : rot -88:sc= 1.29 USER MOD Set 1.2: B 48 SER OG : rot 180:sc= 0.0341 USER MOD Set 2.1: A 47 THR OG1 : rot -77:sc= 1.24 USER MOD Set 2.2: A 48 SER OG : rot -170:sc= -0.0283 USER MOD Single : A 11 GLN : amide:sc= -0.0911 K(o=-0.091,f=-1.3!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0182 (180deg=-0.208) USER MOD Single : A 26 HIS : no HD1:sc= -1.49! C(o=-1.5!,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= -0.275 (180deg=-1.16) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00213 USER MOD Single : A 33 SER OG : rot 74:sc= 1.24 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.6!) USER MOD Single : A 40 MET CE :methyl -152:sc= -0.796 (180deg=-1.76) USER MOD Single : A 42 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 43 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 46 ASN : amide:sc= 1.16 K(o=1.2,f=-6.3!) USER MOD Single : A 53 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.6) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 60 SER OG : rot 72:sc= 0.804 USER MOD Single : A 66 GLN : amide:sc=-0.000197 K(o=-0.0002,f=-0.87) USER MOD Single : A 67 SER OG : rot 87:sc= 1.28 USER MOD Single : A 68 SER OG : rot 76:sc= 1.03 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 21 ASN : amide:sc= -0.0922 X(o=-0.092,f=0) USER MOD Single : B 25 LYS NZ :NH3+ -110:sc= 1.1 (180deg=-0.843!) USER MOD Single : B 26 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-2.3!) USER MOD Single : B 27 LYS NZ :NH3+ -175:sc= 0.242 (180deg=0.236) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : B 33 SER OG : rot 75:sc= 0.697 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 ASN : amide:sc=-0.00206 X(o=-0.0021,f=0) USER MOD Single : B 40 MET CE :methyl 155:sc= -0.201 (180deg=-0.938) USER MOD Single : B 42 THR OG1 : rot 80:sc= 1.25 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 46 ASN :FLIP amide:sc= -0.294 F(o=-5.2!,f=-0.29) USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : B 55 GLN : amide:sc= 0.123 K(o=0.12,f=-0.46) USER MOD Single : B 59 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : B 60 SER OG : rot 16:sc= 0.835 USER MOD Single : B 66 GLN : amide:sc= -0.0286 K(o=-0.029,f=-8.3!) USER MOD Single : B 67 SER OG : rot 16:sc= -0.269 USER MOD Single : B 68 SER OG : rot 75:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -11.454 8.384 14.069 1.00 0.00 N ATOM 138 CA ASP A 9 -11.975 8.348 12.706 1.00 0.00 C ATOM 139 C ASP A 9 -11.853 9.719 12.054 1.00 0.00 C ATOM 140 O ASP A 9 -11.762 9.823 10.832 1.00 0.00 O ATOM 141 CB ASP A 9 -13.433 7.870 12.679 1.00 0.00 C ATOM 142 CG ASP A 9 -14.368 8.759 13.475 1.00 0.00 C ATOM 143 OD1 ASP A 9 -14.550 8.497 14.684 1.00 0.00 O ATOM 144 OD2 ASP A 9 -14.929 9.710 12.898 1.00 0.00 O ATOM 0 HA ASP A 9 -11.378 7.634 12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.775 7.827 11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.483 6.855 13.074 1.00 0.00 H new ATOM 149 N GLU A 10 -11.832 10.763 12.885 1.00 0.00 N ATOM 150 CA GLU A 10 -11.585 12.122 12.416 1.00 0.00 C ATOM 151 C GLU A 10 -10.287 12.160 11.626 1.00 0.00 C ATOM 152 O GLU A 10 -10.242 12.610 10.489 1.00 0.00 O ATOM 153 CB GLU A 10 -11.454 13.085 13.596 1.00 0.00 C ATOM 154 CG GLU A 10 -12.633 13.089 14.546 1.00 0.00 C ATOM 155 CD GLU A 10 -12.331 13.887 15.796 1.00 0.00 C ATOM 156 OE1 GLU A 10 -12.426 15.132 15.750 1.00 0.00 O ATOM 157 OE2 GLU A 10 -11.969 13.272 16.823 1.00 0.00 O ATOM 0 H GLU A 10 -11.984 10.689 13.891 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.425 12.424 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.555 12.830 14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.314 14.094 13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.505 13.510 14.045 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.886 12.064 14.819 1.00 0.00 H new ATOM 164 N GLN A 11 -9.240 11.652 12.253 1.00 0.00 N ATOM 165 CA GLN A 11 -7.903 11.674 11.686 1.00 0.00 C ATOM 166 C GLN A 11 -7.812 10.757 10.471 1.00 0.00 C ATOM 167 O GLN A 11 -7.290 11.146 9.426 1.00 0.00 O ATOM 168 CB GLN A 11 -6.897 11.237 12.750 1.00 0.00 C ATOM 169 CG GLN A 11 -6.896 12.128 13.982 1.00 0.00 C ATOM 170 CD GLN A 11 -6.281 11.456 15.193 1.00 0.00 C ATOM 171 OE1 GLN A 11 -6.361 10.238 15.351 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.663 12.244 16.058 1.00 0.00 N ATOM 0 H GLN A 11 -9.293 11.212 13.172 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.675 12.689 11.360 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.120 10.213 13.051 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.898 11.231 12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.347 13.043 13.762 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.920 12.419 14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.619 13.249 15.891 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.231 11.846 16.892 1.00 0.00 H new ATOM 181 N VAL A 12 -8.343 9.547 10.617 1.00 0.00 N ATOM 182 CA VAL A 12 -8.256 8.532 9.572 1.00 0.00 C ATOM 183 C VAL A 12 -8.997 8.957 8.305 1.00 0.00 C ATOM 184 O VAL A 12 -8.400 9.068 7.233 1.00 0.00 O ATOM 185 CB VAL A 12 -8.827 7.177 10.053 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.673 6.113 8.976 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.154 6.730 11.343 1.00 0.00 C ATOM 0 H VAL A 12 -8.841 9.244 11.454 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.196 8.419 9.343 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.890 7.313 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.081 5.169 9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.210 6.422 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.617 5.985 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.573 5.775 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.083 6.618 11.175 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.323 7.476 12.119 1.00 0.00 H new ATOM 197 N GLU A 13 -10.292 9.216 8.435 1.00 0.00 N ATOM 198 CA GLU A 13 -11.137 9.451 7.272 1.00 0.00 C ATOM 199 C GLU A 13 -10.906 10.830 6.658 1.00 0.00 C ATOM 200 O GLU A 13 -11.058 10.998 5.452 1.00 0.00 O ATOM 201 CB GLU A 13 -12.610 9.254 7.631 1.00 0.00 C ATOM 202 CG GLU A 13 -12.957 7.808 7.951 1.00 0.00 C ATOM 203 CD GLU A 13 -14.426 7.607 8.253 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.243 7.632 7.309 1.00 0.00 O ATOM 205 OE2 GLU A 13 -14.775 7.430 9.440 1.00 0.00 O ATOM 0 H GLU A 13 -10.778 9.268 9.330 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.859 8.717 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.855 9.879 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.229 9.595 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.675 7.177 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.367 7.479 8.807 1.00 0.00 H new ATOM 212 N GLN A 14 -10.523 11.811 7.470 1.00 0.00 N ATOM 213 CA GLN A 14 -10.235 13.145 6.947 1.00 0.00 C ATOM 214 C GLN A 14 -8.951 13.118 6.124 1.00 0.00 C ATOM 215 O GLN A 14 -8.858 13.754 5.073 1.00 0.00 O ATOM 216 CB GLN A 14 -10.113 14.161 8.081 1.00 0.00 C ATOM 217 CG GLN A 14 -9.895 15.590 7.613 1.00 0.00 C ATOM 218 CD GLN A 14 -9.739 16.558 8.769 1.00 0.00 C ATOM 219 OE1 GLN A 14 -10.715 17.133 9.252 1.00 0.00 O ATOM 220 NE2 GLN A 14 -8.510 16.743 9.221 1.00 0.00 N ATOM 0 H GLN A 14 -10.406 11.712 8.478 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.063 13.448 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.018 14.123 8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.284 13.871 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.005 15.632 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.737 15.900 6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.729 16.247 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.343 17.382 9.998 1.00 0.00 H new ATOM 229 N LEU A 15 -7.963 12.368 6.605 1.00 0.00 N ATOM 230 CA LEU A 15 -6.718 12.191 5.872 1.00 0.00 C ATOM 231 C LEU A 15 -6.988 11.420 4.587 1.00 0.00 C ATOM 232 O LEU A 15 -6.516 11.796 3.515 1.00 0.00 O ATOM 233 CB LEU A 15 -5.686 11.453 6.733 1.00 0.00 C ATOM 234 CG LEU A 15 -4.318 11.236 6.079 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.681 12.564 5.709 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.403 10.456 7.012 1.00 0.00 C ATOM 0 H LEU A 15 -8.002 11.875 7.497 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.311 13.171 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.543 12.012 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.096 10.481 7.008 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.464 10.659 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.710 12.386 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.326 13.094 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.549 13.167 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.435 10.310 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.269 11.013 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.849 9.486 7.232 1.00 0.00 H new ATOM 248 N LEU A 16 -7.774 10.355 4.711 1.00 0.00 N ATOM 249 CA LEU A 16 -8.177 9.544 3.569 1.00 0.00 C ATOM 250 C LEU A 16 -8.875 10.402 2.516 1.00 0.00 C ATOM 251 O LEU A 16 -8.536 10.348 1.334 1.00 0.00 O ATOM 252 CB LEU A 16 -9.115 8.424 4.037 1.00 0.00 C ATOM 253 CG LEU A 16 -9.660 7.513 2.936 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.538 6.715 2.293 1.00 0.00 C ATOM 255 CD2 LEU A 16 -10.725 6.583 3.494 1.00 0.00 C ATOM 0 H LEU A 16 -8.148 10.031 5.603 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.285 9.107 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.583 7.809 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.958 8.876 4.560 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.116 8.139 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.948 6.074 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.810 7.398 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.050 6.100 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.102 5.942 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.293 5.966 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.545 7.173 3.903 1.00 0.00 H new ATOM 267 N ALA A 17 -9.839 11.200 2.965 1.00 0.00 N ATOM 268 CA ALA A 17 -10.623 12.047 2.075 1.00 0.00 C ATOM 269 C ALA A 17 -9.737 12.999 1.283 1.00 0.00 C ATOM 270 O ALA A 17 -9.896 13.133 0.071 1.00 0.00 O ATOM 271 CB ALA A 17 -11.661 12.827 2.865 1.00 0.00 C ATOM 0 H ALA A 17 -10.097 11.277 3.949 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.132 11.397 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.238 13.455 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.329 12.132 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.161 13.454 3.603 1.00 0.00 H new ATOM 277 N GLU A 18 -8.796 13.647 1.961 1.00 0.00 N ATOM 278 CA GLU A 18 -7.939 14.624 1.305 1.00 0.00 C ATOM 279 C GLU A 18 -6.948 13.937 0.365 1.00 0.00 C ATOM 280 O GLU A 18 -6.692 14.426 -0.735 1.00 0.00 O ATOM 281 CB GLU A 18 -7.206 15.486 2.336 1.00 0.00 C ATOM 282 CG GLU A 18 -6.436 16.644 1.719 1.00 0.00 C ATOM 283 CD GLU A 18 -6.121 17.736 2.717 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.977 18.619 2.926 1.00 0.00 O ATOM 285 OE2 GLU A 18 -5.022 17.728 3.303 1.00 0.00 O ATOM 0 H GLU A 18 -8.609 13.515 2.955 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.572 15.279 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.930 15.880 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.514 14.858 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.506 16.269 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.017 17.065 0.898 1.00 0.00 H new ATOM 292 N LEU A 19 -6.408 12.795 0.787 1.00 0.00 N ATOM 293 CA LEU A 19 -5.503 12.020 -0.062 1.00 0.00 C ATOM 294 C LEU A 19 -6.213 11.583 -1.339 1.00 0.00 C ATOM 295 O LEU A 19 -5.682 11.734 -2.443 1.00 0.00 O ATOM 296 CB LEU A 19 -4.962 10.797 0.687 1.00 0.00 C ATOM 297 CG LEU A 19 -3.946 11.101 1.792 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.587 9.832 2.550 1.00 0.00 C ATOM 299 CD2 LEU A 19 -2.695 11.737 1.205 1.00 0.00 C ATOM 0 H LEU A 19 -6.580 12.387 1.706 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.661 12.659 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.802 10.260 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.498 10.125 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.399 11.805 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.864 10.067 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.485 9.411 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.154 9.107 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.984 11.946 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.242 11.054 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.961 12.667 0.703 1.00 0.00 H new ATOM 311 N LEU A 20 -7.423 11.057 -1.186 1.00 0.00 N ATOM 312 CA LEU A 20 -8.229 10.657 -2.332 1.00 0.00 C ATOM 313 C LEU A 20 -8.594 11.876 -3.170 1.00 0.00 C ATOM 314 O LEU A 20 -8.569 11.822 -4.397 1.00 0.00 O ATOM 315 CB LEU A 20 -9.499 9.929 -1.882 1.00 0.00 C ATOM 316 CG LEU A 20 -9.269 8.604 -1.147 1.00 0.00 C ATOM 317 CD1 LEU A 20 -10.596 7.972 -0.757 1.00 0.00 C ATOM 318 CD2 LEU A 20 -8.455 7.648 -2.007 1.00 0.00 C ATOM 0 H LEU A 20 -7.866 10.898 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.639 9.971 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.067 10.593 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.118 9.737 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.706 8.811 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.412 7.032 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.143 8.649 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.185 7.781 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.303 6.713 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.990 7.448 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.488 8.097 -2.235 1.00 0.00 H new ATOM 330 N ASN A 21 -8.917 12.976 -2.495 1.00 0.00 N ATOM 331 CA ASN A 21 -9.240 14.233 -3.169 1.00 0.00 C ATOM 332 C ASN A 21 -8.116 14.648 -4.110 1.00 0.00 C ATOM 333 O ASN A 21 -8.368 15.062 -5.237 1.00 0.00 O ATOM 334 CB ASN A 21 -9.502 15.342 -2.143 1.00 0.00 C ATOM 335 CG ASN A 21 -9.724 16.697 -2.791 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.842 17.038 -3.174 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.662 17.481 -2.899 1.00 0.00 N ATOM 0 H ASN A 21 -8.962 13.023 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.144 14.077 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.376 15.081 -1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.656 15.405 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.753 18.409 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.753 17.157 -2.568 1.00 0.00 H new ATOM 344 N VAL A 22 -6.878 14.522 -3.644 1.00 0.00 N ATOM 345 CA VAL A 22 -5.716 14.852 -4.462 1.00 0.00 C ATOM 346 C VAL A 22 -5.690 14.004 -5.730 1.00 0.00 C ATOM 347 O VAL A 22 -5.576 14.531 -6.840 1.00 0.00 O ATOM 348 CB VAL A 22 -4.396 14.652 -3.683 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.190 14.861 -4.589 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.332 15.594 -2.494 1.00 0.00 C ATOM 0 H VAL A 22 -6.653 14.194 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.802 15.905 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.373 13.625 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.275 14.714 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.223 14.144 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.208 15.874 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.396 15.439 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.384 16.625 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.170 15.395 -1.826 1.00 0.00 H new ATOM 360 N LEU A 23 -5.826 12.694 -5.568 1.00 0.00 N ATOM 361 CA LEU A 23 -5.789 11.781 -6.702 1.00 0.00 C ATOM 362 C LEU A 23 -6.960 12.032 -7.649 1.00 0.00 C ATOM 363 O LEU A 23 -6.797 11.991 -8.866 1.00 0.00 O ATOM 364 CB LEU A 23 -5.793 10.325 -6.225 1.00 0.00 C ATOM 365 CG LEU A 23 -4.591 9.921 -5.367 1.00 0.00 C ATOM 366 CD1 LEU A 23 -4.637 8.436 -5.051 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.285 10.274 -6.066 1.00 0.00 C ATOM 0 H LEU A 23 -5.963 12.241 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.864 11.966 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.704 10.148 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.833 9.673 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.640 10.477 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.775 8.167 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.553 8.208 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.616 7.866 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.445 9.978 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.229 9.748 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.245 11.349 -6.242 1.00 0.00 H new ATOM 379 N GLU A 24 -8.129 12.316 -7.085 1.00 0.00 N ATOM 380 CA GLU A 24 -9.327 12.581 -7.880 1.00 0.00 C ATOM 381 C GLU A 24 -9.255 13.946 -8.563 1.00 0.00 C ATOM 382 O GLU A 24 -9.822 14.140 -9.637 1.00 0.00 O ATOM 383 CB GLU A 24 -10.575 12.502 -7.001 1.00 0.00 C ATOM 384 CG GLU A 24 -10.852 11.107 -6.462 1.00 0.00 C ATOM 385 CD GLU A 24 -11.157 10.110 -7.559 1.00 0.00 C ATOM 386 OE1 GLU A 24 -10.212 9.499 -8.098 1.00 0.00 O ATOM 387 OE2 GLU A 24 -12.350 9.943 -7.892 1.00 0.00 O ATOM 0 H GLU A 24 -8.275 12.369 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.385 11.818 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.464 13.191 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.437 12.838 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.988 10.763 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.693 11.149 -5.770 1.00 0.00 H new ATOM 394 N LYS A 25 -8.560 14.891 -7.939 1.00 0.00 N ATOM 395 CA LYS A 25 -8.381 16.217 -8.524 1.00 0.00 C ATOM 396 C LYS A 25 -7.513 16.113 -9.770 1.00 0.00 C ATOM 397 O LYS A 25 -7.701 16.841 -10.741 1.00 0.00 O ATOM 398 CB LYS A 25 -7.724 17.172 -7.524 1.00 0.00 C ATOM 399 CG LYS A 25 -7.913 18.642 -7.871 1.00 0.00 C ATOM 400 CD LYS A 25 -7.010 19.536 -7.037 1.00 0.00 C ATOM 401 CE LYS A 25 -5.601 19.590 -7.606 1.00 0.00 C ATOM 402 NZ LYS A 25 -5.552 20.358 -8.880 1.00 0.00 N ATOM 0 H LYS A 25 -8.112 14.765 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.362 16.612 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.136 16.986 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.657 16.954 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.702 18.796 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.954 18.923 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.427 20.542 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.976 19.166 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.932 20.049 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.239 18.576 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.570 20.636 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.909 19.765 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.143 21.210 -8.795 1.00 0.00 H new ATOM 416 N HIS A 26 -6.562 15.191 -9.731 1.00 0.00 N ATOM 417 CA HIS A 26 -5.680 14.959 -10.862 1.00 0.00 C ATOM 418 C HIS A 26 -6.261 13.894 -11.778 1.00 0.00 C ATOM 419 O HIS A 26 -5.770 13.688 -12.887 1.00 0.00 O ATOM 420 CB HIS A 26 -4.292 14.525 -10.389 1.00 0.00 C ATOM 421 CG HIS A 26 -3.530 15.604 -9.690 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.688 16.469 -10.344 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.482 15.953 -8.384 1.00 0.00 C ATOM 424 CE1 HIS A 26 -2.156 17.303 -9.475 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.622 17.012 -8.275 1.00 0.00 N ATOM 0 H HIS A 26 -6.382 14.591 -8.926 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.587 15.895 -11.413 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.397 13.673 -9.717 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.715 14.184 -11.249 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.023 15.483 -7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.456 18.092 -9.705 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.381 17.496 -7.410 1.00 0.00 H new ATOM 434 N LYS A 27 -7.310 13.223 -11.293 1.00 0.00 N ATOM 435 CA LYS A 27 -7.958 12.138 -12.025 1.00 0.00 C ATOM 436 C LYS A 27 -6.936 11.049 -12.337 1.00 0.00 C ATOM 437 O LYS A 27 -6.919 10.480 -13.431 1.00 0.00 O ATOM 438 CB LYS A 27 -8.590 12.676 -13.309 1.00 0.00 C ATOM 439 CG LYS A 27 -9.485 13.882 -13.082 1.00 0.00 C ATOM 440 CD LYS A 27 -10.007 14.467 -14.386 1.00 0.00 C ATOM 441 CE LYS A 27 -8.879 14.852 -15.337 1.00 0.00 C ATOM 442 NZ LYS A 27 -8.551 13.754 -16.289 1.00 0.00 N ATOM 0 H LYS A 27 -7.731 13.418 -10.384 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.749 11.707 -11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.799 12.946 -14.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.173 11.883 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.327 13.593 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.929 14.647 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.658 13.741 -14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.614 15.346 -14.170 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.165 15.743 -15.896 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.991 15.109 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.519 13.632 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.990 12.869 -15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.914 13.993 -17.234 1.00 0.00 H new ATOM 456 N ALA A 28 -6.094 10.770 -11.349 1.00 0.00 N ATOM 457 CA ALA A 28 -4.972 9.855 -11.510 1.00 0.00 C ATOM 458 C ALA A 28 -5.435 8.433 -11.807 1.00 0.00 C ATOM 459 O ALA A 28 -6.378 7.932 -11.190 1.00 0.00 O ATOM 460 CB ALA A 28 -4.094 9.876 -10.264 1.00 0.00 C ATOM 0 H ALA A 28 -6.170 11.172 -10.415 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.390 10.195 -12.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.259 9.188 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.712 10.884 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.683 9.570 -9.399 1.00 0.00 H new ATOM 466 N PRO A 29 -4.780 7.774 -12.778 1.00 0.00 N ATOM 467 CA PRO A 29 -5.057 6.376 -13.119 1.00 0.00 C ATOM 468 C PRO A 29 -4.811 5.443 -11.938 1.00 0.00 C ATOM 469 O PRO A 29 -3.943 5.705 -11.103 1.00 0.00 O ATOM 470 CB PRO A 29 -4.071 6.073 -14.251 1.00 0.00 C ATOM 471 CG PRO A 29 -3.702 7.405 -14.804 1.00 0.00 C ATOM 472 CD PRO A 29 -3.736 8.350 -13.641 1.00 0.00 C ATOM 0 HA PRO A 29 -6.099 6.225 -13.400 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.194 5.543 -13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.527 5.441 -15.013 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.712 7.379 -15.259 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.402 7.714 -15.580 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.773 8.399 -13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.984 9.365 -13.952 1.00 0.00 H new ATOM 480 N THR A 30 -5.572 4.358 -11.876 1.00 0.00 N ATOM 481 CA THR A 30 -5.456 3.394 -10.787 1.00 0.00 C ATOM 482 C THR A 30 -4.043 2.817 -10.723 1.00 0.00 C ATOM 483 O THR A 30 -3.452 2.694 -9.648 1.00 0.00 O ATOM 484 CB THR A 30 -6.468 2.248 -10.970 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.762 2.790 -11.268 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.554 1.381 -9.720 1.00 0.00 C ATOM 0 H THR A 30 -6.280 4.122 -12.571 1.00 0.00 H new ATOM 0 HA THR A 30 -5.669 3.916 -9.854 1.00 0.00 H new ATOM 0 HB THR A 30 -6.128 1.623 -11.796 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.404 2.059 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.277 0.581 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.576 0.949 -9.509 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.871 1.992 -8.875 1.00 0.00 H new ATOM 494 N ASP A 31 -3.507 2.495 -11.891 1.00 0.00 N ATOM 495 CA ASP A 31 -2.165 1.943 -12.011 1.00 0.00 C ATOM 496 C ASP A 31 -1.118 2.947 -11.538 1.00 0.00 C ATOM 497 O ASP A 31 -0.198 2.591 -10.801 1.00 0.00 O ATOM 498 CB ASP A 31 -1.898 1.530 -13.462 1.00 0.00 C ATOM 499 CG ASP A 31 -2.234 2.632 -14.450 1.00 0.00 C ATOM 500 OD1 ASP A 31 -3.439 2.845 -14.718 1.00 0.00 O ATOM 501 OD2 ASP A 31 -1.306 3.298 -14.946 1.00 0.00 O ATOM 0 H ASP A 31 -3.990 2.609 -12.782 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.095 1.061 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.849 1.256 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.486 0.643 -13.698 1.00 0.00 H new ATOM 506 N LEU A 32 -1.278 4.203 -11.939 1.00 0.00 N ATOM 507 CA LEU A 32 -0.355 5.258 -11.535 1.00 0.00 C ATOM 508 C LEU A 32 -0.448 5.499 -10.033 1.00 0.00 C ATOM 509 O LEU A 32 0.563 5.714 -9.364 1.00 0.00 O ATOM 510 CB LEU A 32 -0.645 6.554 -12.298 1.00 0.00 C ATOM 511 CG LEU A 32 0.291 7.725 -11.976 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.729 7.380 -12.335 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.151 8.981 -12.710 1.00 0.00 C ATOM 0 H LEU A 32 -2.038 4.516 -12.543 1.00 0.00 H new ATOM 0 HA LEU A 32 0.658 4.936 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.588 6.348 -13.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.670 6.860 -12.086 1.00 0.00 H new ATOM 0 HG LEU A 32 0.240 7.915 -10.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.376 8.225 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.047 6.508 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.795 7.160 -13.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.526 9.801 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.133 8.800 -13.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.163 9.244 -12.404 1.00 0.00 H new ATOM 525 N SER A 33 -1.663 5.445 -9.507 1.00 0.00 N ATOM 526 CA SER A 33 -1.885 5.624 -8.081 1.00 0.00 C ATOM 527 C SER A 33 -1.158 4.543 -7.285 1.00 0.00 C ATOM 528 O SER A 33 -0.470 4.840 -6.311 1.00 0.00 O ATOM 529 CB SER A 33 -3.382 5.596 -7.774 1.00 0.00 C ATOM 530 OG SER A 33 -4.069 6.596 -8.509 1.00 0.00 O ATOM 0 H SER A 33 -2.511 5.278 -10.048 1.00 0.00 H new ATOM 0 HA SER A 33 -1.485 6.594 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.789 4.615 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.541 5.750 -6.707 1.00 0.00 H new ATOM 0 HG SER A 33 -4.128 6.328 -9.450 1.00 0.00 H new ATOM 536 N LEU A 34 -1.290 3.292 -7.719 1.00 0.00 N ATOM 537 CA LEU A 34 -0.606 2.181 -7.066 1.00 0.00 C ATOM 538 C LEU A 34 0.908 2.316 -7.214 1.00 0.00 C ATOM 539 O LEU A 34 1.663 1.962 -6.309 1.00 0.00 O ATOM 540 CB LEU A 34 -1.075 0.844 -7.647 1.00 0.00 C ATOM 541 CG LEU A 34 -2.526 0.469 -7.331 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.913 -0.815 -8.047 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.718 0.315 -5.830 1.00 0.00 C ATOM 0 H LEU A 34 -1.863 3.023 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.854 2.208 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.952 0.873 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.423 0.055 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.174 1.271 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.947 -1.066 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.810 -0.677 -9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.260 -1.624 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.754 0.048 -5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.059 -0.470 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.478 1.256 -5.334 1.00 0.00 H new ATOM 555 N MET A 35 1.342 2.836 -8.357 1.00 0.00 N ATOM 556 CA MET A 35 2.760 3.075 -8.606 1.00 0.00 C ATOM 557 C MET A 35 3.319 4.080 -7.600 1.00 0.00 C ATOM 558 O MET A 35 4.375 3.857 -7.002 1.00 0.00 O ATOM 559 CB MET A 35 2.964 3.589 -10.036 1.00 0.00 C ATOM 560 CG MET A 35 4.412 3.901 -10.381 1.00 0.00 C ATOM 561 SD MET A 35 4.604 4.539 -12.058 1.00 0.00 S ATOM 562 CE MET A 35 6.373 4.815 -12.120 1.00 0.00 C ATOM 0 H MET A 35 0.730 3.101 -9.129 1.00 0.00 H new ATOM 0 HA MET A 35 3.297 2.134 -8.488 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.587 2.844 -10.736 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.366 4.489 -10.176 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.801 4.631 -9.672 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.011 2.997 -10.269 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.645 5.210 -13.099 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.657 5.530 -11.348 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.894 3.873 -11.951 1.00 0.00 H new ATOM 572 N VAL A 36 2.596 5.178 -7.411 1.00 0.00 N ATOM 573 CA VAL A 36 3.008 6.217 -6.475 1.00 0.00 C ATOM 574 C VAL A 36 2.905 5.721 -5.034 1.00 0.00 C ATOM 575 O VAL A 36 3.845 5.869 -4.255 1.00 0.00 O ATOM 576 CB VAL A 36 2.169 7.503 -6.645 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.595 8.563 -5.640 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.297 8.041 -8.062 1.00 0.00 C ATOM 0 H VAL A 36 1.719 5.372 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 36 4.048 6.456 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 36 1.125 7.252 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.991 9.459 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.454 8.183 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.646 8.807 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.699 8.947 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.342 8.271 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.942 7.291 -8.769 1.00 0.00 H new ATOM 588 N LEU A 37 1.768 5.118 -4.693 1.00 0.00 N ATOM 589 CA LEU A 37 1.548 4.597 -3.344 1.00 0.00 C ATOM 590 C LEU A 37 2.590 3.546 -2.981 1.00 0.00 C ATOM 591 O LEU A 37 3.107 3.537 -1.866 1.00 0.00 O ATOM 592 CB LEU A 37 0.143 4.004 -3.210 1.00 0.00 C ATOM 593 CG LEU A 37 -1.003 5.017 -3.271 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.344 4.303 -3.218 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.889 6.017 -2.132 1.00 0.00 C ATOM 0 H LEU A 37 0.985 4.978 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 37 1.645 5.433 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.001 3.270 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.082 3.467 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.936 5.559 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.149 5.037 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.427 3.622 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.419 3.738 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.711 6.730 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.933 5.490 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.059 6.549 -2.209 1.00 0.00 H new ATOM 607 N GLY A 38 2.899 2.668 -3.930 1.00 0.00 N ATOM 608 CA GLY A 38 3.907 1.650 -3.703 1.00 0.00 C ATOM 609 C GLY A 38 5.247 2.251 -3.339 1.00 0.00 C ATOM 610 O GLY A 38 5.878 1.842 -2.363 1.00 0.00 O ATOM 0 H GLY A 38 2.468 2.644 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.578 0.986 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.015 1.040 -4.600 1.00 0.00 H new ATOM 614 N ASN A 39 5.670 3.239 -4.119 1.00 0.00 N ATOM 615 CA ASN A 39 6.920 3.948 -3.863 1.00 0.00 C ATOM 616 C ASN A 39 6.839 4.674 -2.524 1.00 0.00 C ATOM 617 O ASN A 39 7.753 4.594 -1.704 1.00 0.00 O ATOM 618 CB ASN A 39 7.194 4.945 -4.998 1.00 0.00 C ATOM 619 CG ASN A 39 8.595 5.536 -4.965 1.00 0.00 C ATOM 620 OD1 ASN A 39 9.202 5.699 -3.910 1.00 0.00 O ATOM 621 ND2 ASN A 39 9.121 5.861 -6.135 1.00 0.00 N ATOM 0 H ASN A 39 5.162 3.570 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 39 7.740 3.231 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.042 4.444 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.466 5.754 -4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.059 6.260 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.589 5.712 -6.992 1.00 0.00 H new ATOM 628 N MET A 40 5.715 5.348 -2.306 1.00 0.00 N ATOM 629 CA MET A 40 5.472 6.097 -1.078 1.00 0.00 C ATOM 630 C MET A 40 5.642 5.212 0.156 1.00 0.00 C ATOM 631 O MET A 40 6.350 5.574 1.094 1.00 0.00 O ATOM 632 CB MET A 40 4.061 6.692 -1.115 1.00 0.00 C ATOM 633 CG MET A 40 3.702 7.526 0.103 1.00 0.00 C ATOM 634 SD MET A 40 2.045 8.226 -0.016 1.00 0.00 S ATOM 635 CE MET A 40 1.932 9.114 1.533 1.00 0.00 C ATOM 0 H MET A 40 4.947 5.391 -2.975 1.00 0.00 H new ATOM 0 HA MET A 40 6.206 6.900 -1.011 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.964 7.312 -2.006 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.340 5.881 -1.211 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.770 6.907 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.428 8.331 0.217 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.889 9.171 1.844 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.510 8.591 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.328 10.121 1.405 1.00 0.00 H new ATOM 645 N VAL A 41 5.003 4.047 0.139 1.00 0.00 N ATOM 646 CA VAL A 41 5.091 3.108 1.252 1.00 0.00 C ATOM 647 C VAL A 41 6.510 2.557 1.385 1.00 0.00 C ATOM 648 O VAL A 41 7.065 2.519 2.485 1.00 0.00 O ATOM 649 CB VAL A 41 4.090 1.939 1.095 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.225 0.946 2.240 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.664 2.461 1.018 1.00 0.00 C ATOM 0 H VAL A 41 4.418 3.730 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 41 4.833 3.658 2.157 1.00 0.00 H new ATOM 0 HB VAL A 41 4.324 1.422 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.510 0.135 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.236 0.540 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.026 1.451 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.975 1.623 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.427 3.008 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.566 3.127 0.160 1.00 0.00 H new ATOM 661 N THR A 42 7.098 2.152 0.262 1.00 0.00 N ATOM 662 CA THR A 42 8.453 1.610 0.260 1.00 0.00 C ATOM 663 C THR A 42 9.442 2.612 0.854 1.00 0.00 C ATOM 664 O THR A 42 10.237 2.271 1.735 1.00 0.00 O ATOM 665 CB THR A 42 8.904 1.232 -1.167 1.00 0.00 C ATOM 666 OG1 THR A 42 7.963 0.326 -1.753 1.00 0.00 O ATOM 667 CG2 THR A 42 10.285 0.590 -1.150 1.00 0.00 C ATOM 0 H THR A 42 6.657 2.189 -0.657 1.00 0.00 H new ATOM 0 HA THR A 42 8.440 0.710 0.875 1.00 0.00 H new ATOM 0 HB THR A 42 8.952 2.145 -1.761 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.312 0.829 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.579 0.333 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.007 1.290 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.259 -0.314 -0.541 1.00 0.00 H new ATOM 675 N ASN A 43 9.373 3.853 0.387 1.00 0.00 N ATOM 676 CA ASN A 43 10.243 4.909 0.884 1.00 0.00 C ATOM 677 C ASN A 43 9.999 5.154 2.370 1.00 0.00 C ATOM 678 O ASN A 43 10.943 5.266 3.149 1.00 0.00 O ATOM 679 CB ASN A 43 10.027 6.205 0.088 1.00 0.00 C ATOM 680 CG ASN A 43 10.761 7.391 0.688 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.941 7.610 0.419 1.00 0.00 O ATOM 682 ND2 ASN A 43 10.057 8.181 1.487 1.00 0.00 N ATOM 0 H ASN A 43 8.721 4.152 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 43 11.276 4.588 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.363 6.056 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.961 6.427 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.492 9.004 1.903 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.080 7.965 1.686 1.00 0.00 H new ATOM 689 N LEU A 44 8.730 5.213 2.754 1.00 0.00 N ATOM 690 CA LEU A 44 8.351 5.478 4.138 1.00 0.00 C ATOM 691 C LEU A 44 8.942 4.434 5.086 1.00 0.00 C ATOM 692 O LEU A 44 9.545 4.781 6.103 1.00 0.00 O ATOM 693 CB LEU A 44 6.824 5.505 4.268 1.00 0.00 C ATOM 694 CG LEU A 44 6.288 5.875 5.653 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.719 7.281 6.039 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.773 5.755 5.682 1.00 0.00 C ATOM 0 H LEU A 44 7.940 5.080 2.122 1.00 0.00 H new ATOM 0 HA LEU A 44 8.753 6.452 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.427 6.215 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.436 4.523 3.998 1.00 0.00 H new ATOM 0 HG LEU A 44 6.706 5.179 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.327 7.523 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.807 7.336 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.332 7.993 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.406 6.021 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.340 6.428 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.485 4.729 5.452 1.00 0.00 H new ATOM 708 N ILE A 45 8.790 3.163 4.735 1.00 0.00 N ATOM 709 CA ILE A 45 9.276 2.072 5.575 1.00 0.00 C ATOM 710 C ILE A 45 10.800 2.100 5.701 1.00 0.00 C ATOM 711 O ILE A 45 11.346 1.827 6.765 1.00 0.00 O ATOM 712 CB ILE A 45 8.829 0.694 5.029 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.299 0.610 4.988 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.399 -0.435 5.881 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.776 -0.694 4.423 1.00 0.00 C ATOM 0 H ILE A 45 8.334 2.861 3.874 1.00 0.00 H new ATOM 0 HA ILE A 45 8.838 2.218 6.563 1.00 0.00 H new ATOM 0 HB ILE A 45 9.214 0.585 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.910 0.740 5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.915 1.435 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.072 -1.394 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.488 -0.387 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.045 -0.331 6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.686 -0.680 4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.135 -0.818 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.130 -1.524 5.035 1.00 0.00 H new ATOM 727 N ASN A 46 11.483 2.460 4.623 1.00 0.00 N ATOM 728 CA ASN A 46 12.945 2.442 4.612 1.00 0.00 C ATOM 729 C ASN A 46 13.540 3.689 5.263 1.00 0.00 C ATOM 730 O ASN A 46 14.725 3.715 5.598 1.00 0.00 O ATOM 731 CB ASN A 46 13.477 2.293 3.181 1.00 0.00 C ATOM 732 CG ASN A 46 13.385 0.868 2.666 1.00 0.00 C ATOM 733 OD1 ASN A 46 14.309 0.074 2.839 1.00 0.00 O ATOM 734 ND2 ASN A 46 12.277 0.533 2.025 1.00 0.00 N ATOM 0 H ASN A 46 11.055 2.766 3.749 1.00 0.00 H new ATOM 0 HA ASN A 46 13.256 1.579 5.201 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.915 2.951 2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.516 2.620 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.168 -0.411 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.532 1.219 1.901 1.00 0.00 H new ATOM 741 N THR A 47 12.727 4.721 5.447 1.00 0.00 N ATOM 742 CA THR A 47 13.214 5.965 6.025 1.00 0.00 C ATOM 743 C THR A 47 12.781 6.121 7.482 1.00 0.00 C ATOM 744 O THR A 47 13.601 6.409 8.356 1.00 0.00 O ATOM 745 CB THR A 47 12.730 7.188 5.219 1.00 0.00 C ATOM 746 OG1 THR A 47 11.313 7.114 5.015 1.00 0.00 O ATOM 747 CG2 THR A 47 13.440 7.266 3.875 1.00 0.00 C ATOM 0 H THR A 47 11.736 4.722 5.207 1.00 0.00 H new ATOM 0 HA THR A 47 14.302 5.918 5.985 1.00 0.00 H new ATOM 0 HB THR A 47 12.966 8.087 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.118 6.465 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.082 8.136 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.514 7.355 4.036 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.232 6.363 3.301 1.00 0.00 H new ATOM 755 N SER A 48 11.496 5.926 7.742 1.00 0.00 N ATOM 756 CA SER A 48 10.949 6.145 9.073 1.00 0.00 C ATOM 757 C SER A 48 11.146 4.918 9.960 1.00 0.00 C ATOM 758 O SER A 48 11.332 5.041 11.172 1.00 0.00 O ATOM 759 CB SER A 48 9.467 6.504 8.968 1.00 0.00 C ATOM 760 OG SER A 48 9.281 7.598 8.084 1.00 0.00 O ATOM 0 H SER A 48 10.814 5.617 7.050 1.00 0.00 H new ATOM 0 HA SER A 48 11.484 6.974 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.902 5.642 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.077 6.756 9.954 1.00 0.00 H new ATOM 0 HG SER A 48 8.356 7.916 8.147 1.00 0.00 H new ATOM 766 N ILE A 49 11.114 3.742 9.354 1.00 0.00 N ATOM 767 CA ILE A 49 11.308 2.503 10.089 1.00 0.00 C ATOM 768 C ILE A 49 12.775 2.086 10.003 1.00 0.00 C ATOM 769 O ILE A 49 13.419 2.283 8.970 1.00 0.00 O ATOM 770 CB ILE A 49 10.386 1.361 9.564 1.00 0.00 C ATOM 771 CG1 ILE A 49 8.908 1.656 9.865 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.774 0.017 10.165 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.283 2.712 8.975 1.00 0.00 C ATOM 0 H ILE A 49 10.955 3.620 8.354 1.00 0.00 H new ATOM 0 HA ILE A 49 11.035 2.680 11.129 1.00 0.00 H new ATOM 0 HB ILE A 49 10.520 1.312 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.339 0.732 9.765 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.819 1.975 10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.112 -0.759 9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.804 -0.218 9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.684 0.064 11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.240 2.856 9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.823 3.652 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.336 2.389 7.935 1.00 0.00 H new ATOM 785 N ALA A 50 13.302 1.546 11.097 1.00 0.00 N ATOM 786 CA ALA A 50 14.698 1.137 11.157 1.00 0.00 C ATOM 787 C ALA A 50 15.012 0.085 10.096 1.00 0.00 C ATOM 788 O ALA A 50 14.218 -0.826 9.855 1.00 0.00 O ATOM 789 CB ALA A 50 15.030 0.609 12.545 1.00 0.00 C ATOM 0 H ALA A 50 12.779 1.381 11.957 1.00 0.00 H new ATOM 0 HA ALA A 50 15.317 2.011 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.077 0.306 12.578 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.855 1.391 13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.397 -0.249 12.769 1.00 0.00 H new ATOM 795 N PRO A 51 16.175 0.209 9.440 1.00 0.00 N ATOM 796 CA PRO A 51 16.615 -0.721 8.389 1.00 0.00 C ATOM 797 C PRO A 51 16.641 -2.185 8.837 1.00 0.00 C ATOM 798 O PRO A 51 16.599 -3.091 8.006 1.00 0.00 O ATOM 799 CB PRO A 51 18.030 -0.244 8.056 1.00 0.00 C ATOM 800 CG PRO A 51 18.049 1.190 8.451 1.00 0.00 C ATOM 801 CD PRO A 51 17.147 1.298 9.647 1.00 0.00 C ATOM 0 HA PRO A 51 15.927 -0.708 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.779 -0.815 8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.249 -0.365 6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.061 1.515 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.697 1.824 7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.698 1.173 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.657 2.271 9.695 1.00 0.00 H new ATOM 809 N ALA A 52 16.718 -2.416 10.142 1.00 0.00 N ATOM 810 CA ALA A 52 16.711 -3.775 10.675 1.00 0.00 C ATOM 811 C ALA A 52 15.289 -4.275 10.923 1.00 0.00 C ATOM 812 O ALA A 52 15.076 -5.455 11.192 1.00 0.00 O ATOM 813 CB ALA A 52 17.521 -3.838 11.961 1.00 0.00 C ATOM 0 H ALA A 52 16.786 -1.684 10.849 1.00 0.00 H new ATOM 0 HA ALA A 52 17.167 -4.427 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.509 -4.856 12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.550 -3.539 11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.086 -3.163 12.698 1.00 0.00 H new ATOM 819 N GLN A 53 14.318 -3.377 10.828 1.00 0.00 N ATOM 820 CA GLN A 53 12.924 -3.722 11.094 1.00 0.00 C ATOM 821 C GLN A 53 12.100 -3.727 9.809 1.00 0.00 C ATOM 822 O GLN A 53 11.055 -4.373 9.736 1.00 0.00 O ATOM 823 CB GLN A 53 12.306 -2.717 12.067 1.00 0.00 C ATOM 824 CG GLN A 53 12.980 -2.665 13.426 1.00 0.00 C ATOM 825 CD GLN A 53 12.476 -1.514 14.274 1.00 0.00 C ATOM 826 OE1 GLN A 53 12.107 -0.460 13.755 1.00 0.00 O ATOM 827 NE2 GLN A 53 12.439 -1.713 15.580 1.00 0.00 N ATOM 0 H GLN A 53 14.468 -2.402 10.568 1.00 0.00 H new ATOM 0 HA GLN A 53 12.912 -4.721 11.529 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.344 -1.725 11.618 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.254 -2.964 12.206 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.806 -3.604 13.952 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.057 -2.570 13.291 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.754 -2.601 15.970 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.095 -0.978 16.198 1.00 0.00 H new ATOM 836 N ARG A 54 12.585 -3.003 8.805 1.00 0.00 N ATOM 837 CA ARG A 54 11.838 -2.781 7.566 1.00 0.00 C ATOM 838 C ARG A 54 11.361 -4.081 6.911 1.00 0.00 C ATOM 839 O ARG A 54 10.219 -4.161 6.463 1.00 0.00 O ATOM 840 CB ARG A 54 12.683 -1.970 6.577 1.00 0.00 C ATOM 841 CG ARG A 54 14.063 -2.548 6.340 1.00 0.00 C ATOM 842 CD ARG A 54 14.867 -1.704 5.369 1.00 0.00 C ATOM 843 NE ARG A 54 16.280 -2.082 5.368 1.00 0.00 N ATOM 844 CZ ARG A 54 17.176 -1.636 4.485 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.794 -0.846 3.487 1.00 0.00 N ATOM 846 NH2 ARG A 54 18.452 -1.982 4.601 1.00 0.00 N ATOM 0 H ARG A 54 13.501 -2.555 8.824 1.00 0.00 H new ATOM 0 HA ARG A 54 10.944 -2.219 7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.155 -1.910 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.785 -0.951 6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.596 -2.618 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.971 -3.562 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.459 -1.816 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.772 -0.651 5.636 1.00 0.00 H new ATOM 0 HE ARG A 54 16.601 -2.728 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.814 -0.579 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.481 -0.507 2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.748 -2.589 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.136 -1.641 3.926 1.00 0.00 H new ATOM 860 N GLN A 55 12.212 -5.100 6.872 1.00 0.00 N ATOM 861 CA GLN A 55 11.862 -6.340 6.187 1.00 0.00 C ATOM 862 C GLN A 55 10.799 -7.114 6.964 1.00 0.00 C ATOM 863 O GLN A 55 9.917 -7.739 6.372 1.00 0.00 O ATOM 864 CB GLN A 55 13.104 -7.203 5.951 1.00 0.00 C ATOM 865 CG GLN A 55 14.024 -6.651 4.869 1.00 0.00 C ATOM 866 CD GLN A 55 15.265 -7.498 4.652 1.00 0.00 C ATOM 867 OE1 GLN A 55 16.308 -7.262 5.265 1.00 0.00 O ATOM 868 NE2 GLN A 55 15.164 -8.487 3.777 1.00 0.00 N ATOM 0 H GLN A 55 13.138 -5.094 7.300 1.00 0.00 H new ATOM 0 HA GLN A 55 11.443 -6.080 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.662 -7.288 6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.791 -8.210 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.471 -6.580 3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.325 -5.639 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.282 -8.649 3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.968 -9.086 3.590 1.00 0.00 H new ATOM 877 N ALA A 56 10.872 -7.055 8.287 1.00 0.00 N ATOM 878 CA ALA A 56 9.868 -7.687 9.133 1.00 0.00 C ATOM 879 C ALA A 56 8.540 -6.943 9.025 1.00 0.00 C ATOM 880 O ALA A 56 7.471 -7.558 8.963 1.00 0.00 O ATOM 881 CB ALA A 56 10.342 -7.732 10.578 1.00 0.00 C ATOM 0 H ALA A 56 11.615 -6.577 8.797 1.00 0.00 H new ATOM 0 HA ALA A 56 9.718 -8.711 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.580 -8.207 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.268 -8.304 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.518 -6.717 10.935 1.00 0.00 H new ATOM 887 N ILE A 57 8.621 -5.617 8.990 1.00 0.00 N ATOM 888 CA ILE A 57 7.440 -4.776 8.839 1.00 0.00 C ATOM 889 C ILE A 57 6.784 -5.012 7.480 1.00 0.00 C ATOM 890 O ILE A 57 5.564 -5.140 7.383 1.00 0.00 O ATOM 891 CB ILE A 57 7.787 -3.275 8.997 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.315 -2.990 10.408 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.578 -2.399 8.694 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.338 -3.341 11.512 1.00 0.00 C ATOM 0 H ILE A 57 9.497 -5.100 9.065 1.00 0.00 H new ATOM 0 HA ILE A 57 6.741 -5.051 9.629 1.00 0.00 H new ATOM 0 HB ILE A 57 8.569 -3.033 8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.237 -3.551 10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.569 -1.933 10.484 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.850 -1.350 8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.249 -2.575 7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.769 -2.644 9.382 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.784 -3.111 12.479 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.424 -2.761 11.387 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.102 -4.404 11.465 1.00 0.00 H new ATOM 906 N ALA A 58 7.606 -5.087 6.438 1.00 0.00 N ATOM 907 CA ALA A 58 7.120 -5.351 5.089 1.00 0.00 C ATOM 908 C ALA A 58 6.375 -6.680 5.028 1.00 0.00 C ATOM 909 O ALA A 58 5.294 -6.767 4.445 1.00 0.00 O ATOM 910 CB ALA A 58 8.275 -5.348 4.100 1.00 0.00 C ATOM 0 H ALA A 58 8.617 -4.968 6.503 1.00 0.00 H new ATOM 0 HA ALA A 58 6.424 -4.557 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.896 -5.547 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.766 -4.375 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.993 -6.121 4.376 1.00 0.00 H new ATOM 916 N ASN A 59 6.946 -7.706 5.648 1.00 0.00 N ATOM 917 CA ASN A 59 6.317 -9.021 5.677 1.00 0.00 C ATOM 918 C ASN A 59 5.007 -8.985 6.454 1.00 0.00 C ATOM 919 O ASN A 59 4.050 -9.667 6.089 1.00 0.00 O ATOM 920 CB ASN A 59 7.258 -10.067 6.279 1.00 0.00 C ATOM 921 CG ASN A 59 8.150 -10.710 5.235 1.00 0.00 C ATOM 922 OD1 ASN A 59 7.779 -11.711 4.621 1.00 0.00 O ATOM 923 ND2 ASN A 59 9.331 -10.146 5.028 1.00 0.00 N ATOM 0 H ASN A 59 7.840 -7.653 6.136 1.00 0.00 H new ATOM 0 HA ASN A 59 6.100 -9.303 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.878 -9.598 7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.669 -10.839 6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.971 -10.541 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.600 -9.317 5.558 1.00 0.00 H new ATOM 930 N SER A 60 4.965 -8.182 7.513 1.00 0.00 N ATOM 931 CA SER A 60 3.746 -8.015 8.293 1.00 0.00 C ATOM 932 C SER A 60 2.675 -7.308 7.468 1.00 0.00 C ATOM 933 O SER A 60 1.519 -7.734 7.433 1.00 0.00 O ATOM 934 CB SER A 60 4.033 -7.220 9.567 1.00 0.00 C ATOM 935 OG SER A 60 4.988 -7.881 10.382 1.00 0.00 O ATOM 0 H SER A 60 5.760 -7.638 7.849 1.00 0.00 H new ATOM 0 HA SER A 60 3.379 -9.003 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.400 -6.228 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.108 -7.080 10.127 1.00 0.00 H new ATOM 0 HG SER A 60 5.873 -7.819 9.965 1.00 0.00 H new ATOM 941 N PHE A 61 3.075 -6.236 6.794 1.00 0.00 N ATOM 942 CA PHE A 61 2.162 -5.466 5.957 1.00 0.00 C ATOM 943 C PHE A 61 1.597 -6.339 4.843 1.00 0.00 C ATOM 944 O PHE A 61 0.388 -6.363 4.614 1.00 0.00 O ATOM 945 CB PHE A 61 2.886 -4.253 5.363 1.00 0.00 C ATOM 946 CG PHE A 61 2.016 -3.384 4.499 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.140 -2.474 5.069 1.00 0.00 C ATOM 948 CD2 PHE A 61 2.079 -3.473 3.117 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.342 -1.671 4.276 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.283 -2.673 2.320 1.00 0.00 C ATOM 951 CZ PHE A 61 0.414 -1.771 2.901 1.00 0.00 C ATOM 0 H PHE A 61 4.030 -5.879 6.811 1.00 0.00 H new ATOM 0 HA PHE A 61 1.336 -5.115 6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.290 -3.650 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.733 -4.602 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.080 -2.391 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.758 -4.176 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.337 -0.966 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.340 -2.753 1.245 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.209 -1.144 2.280 1.00 0.00 H new ATOM 961 N ALA A 62 2.479 -7.063 4.164 1.00 0.00 N ATOM 962 CA ALA A 62 2.074 -7.953 3.084 1.00 0.00 C ATOM 963 C ALA A 62 1.137 -9.043 3.596 1.00 0.00 C ATOM 964 O ALA A 62 0.177 -9.421 2.921 1.00 0.00 O ATOM 965 CB ALA A 62 3.298 -8.573 2.428 1.00 0.00 C ATOM 0 H ALA A 62 3.483 -7.050 4.344 1.00 0.00 H new ATOM 0 HA ALA A 62 1.535 -7.365 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.982 -9.236 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.932 -7.785 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.858 -9.143 3.169 1.00 0.00 H new ATOM 971 N ARG A 63 1.416 -9.532 4.798 1.00 0.00 N ATOM 972 CA ARG A 63 0.604 -10.573 5.406 1.00 0.00 C ATOM 973 C ARG A 63 -0.800 -10.051 5.683 1.00 0.00 C ATOM 974 O ARG A 63 -1.793 -10.656 5.274 1.00 0.00 O ATOM 975 CB ARG A 63 1.244 -11.053 6.710 1.00 0.00 C ATOM 976 CG ARG A 63 1.180 -12.557 6.903 1.00 0.00 C ATOM 977 CD ARG A 63 2.009 -13.272 5.852 1.00 0.00 C ATOM 978 NE ARG A 63 2.059 -14.715 6.075 1.00 0.00 N ATOM 979 CZ ARG A 63 3.178 -15.435 6.045 1.00 0.00 C ATOM 980 NH1 ARG A 63 4.343 -14.850 5.791 1.00 0.00 N ATOM 981 NH2 ARG A 63 3.131 -16.743 6.260 1.00 0.00 N ATOM 0 H ARG A 63 2.201 -9.222 5.371 1.00 0.00 H new ATOM 0 HA ARG A 63 0.542 -11.412 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.287 -10.737 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.747 -10.566 7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.544 -12.816 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.144 -12.892 6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.591 -13.073 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.022 -12.870 5.856 1.00 0.00 H new ATOM 0 HE ARG A 63 1.182 -15.201 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.382 -13.846 5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.198 -15.405 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.237 -17.197 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.989 -17.295 6.237 1.00 0.00 H new ATOM 995 N ALA A 64 -0.871 -8.909 6.362 1.00 0.00 N ATOM 996 CA ALA A 64 -2.146 -8.297 6.714 1.00 0.00 C ATOM 997 C ALA A 64 -2.949 -7.950 5.467 1.00 0.00 C ATOM 998 O ALA A 64 -4.168 -8.128 5.434 1.00 0.00 O ATOM 999 CB ALA A 64 -1.919 -7.053 7.561 1.00 0.00 C ATOM 0 H ALA A 64 -0.054 -8.387 6.680 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.720 -9.019 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.880 -6.606 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.392 -7.326 8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.323 -6.334 6.999 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.255 -7.468 4.441 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.889 -7.111 3.175 1.00 0.00 C ATOM 1007 C LEU A 65 -3.605 -8.314 2.564 1.00 0.00 C ATOM 1008 O LEU A 65 -4.795 -8.251 2.256 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.841 -6.570 2.196 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.373 -6.168 0.817 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.360 -5.016 0.936 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.225 -5.796 -0.108 1.00 0.00 C ATOM 0 H LEU A 65 -1.247 -7.315 4.462 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.630 -6.336 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.361 -5.702 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.069 -7.328 2.062 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.897 -7.022 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.726 -4.746 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.199 -5.319 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.863 -4.156 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.621 -5.513 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.673 -4.958 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.558 -6.650 -0.221 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.885 -9.420 2.423 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.438 -10.616 1.794 1.00 0.00 C ATOM 1026 C GLN A 66 -4.481 -11.290 2.685 1.00 0.00 C ATOM 1027 O GLN A 66 -5.273 -12.108 2.219 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.325 -11.604 1.448 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.276 -11.032 0.508 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.273 -12.074 0.053 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -0.600 -13.251 -0.075 1.00 0.00 O ATOM 1032 NE2 GLN A 66 0.955 -11.649 -0.192 1.00 0.00 N ATOM 0 H GLN A 66 -1.918 -9.515 2.735 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.934 -10.303 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.839 -11.928 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.766 -12.490 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.770 -10.603 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.749 -10.219 1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.186 -10.663 -0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.671 -12.307 -0.499 1.00 0.00 H new ATOM 1041 N SER A 67 -4.485 -10.939 3.962 1.00 0.00 N ATOM 1042 CA SER A 67 -5.464 -11.488 4.890 1.00 0.00 C ATOM 1043 C SER A 67 -6.757 -10.676 4.846 1.00 0.00 C ATOM 1044 O SER A 67 -7.851 -11.224 4.971 1.00 0.00 O ATOM 1045 CB SER A 67 -4.895 -11.501 6.309 1.00 0.00 C ATOM 1046 OG SER A 67 -3.658 -12.196 6.351 1.00 0.00 O ATOM 0 H SER A 67 -3.826 -10.281 4.378 1.00 0.00 H new ATOM 0 HA SER A 67 -5.689 -12.512 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.754 -10.478 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.606 -11.974 6.986 1.00 0.00 H new ATOM 0 HG SER A 67 -2.928 -11.578 6.135 1.00 0.00 H new ATOM 1052 N SER A 68 -6.621 -9.374 4.637 1.00 0.00 N ATOM 1053 CA SER A 68 -7.768 -8.478 4.632 1.00 0.00 C ATOM 1054 C SER A 68 -8.421 -8.420 3.254 1.00 0.00 C ATOM 1055 O SER A 68 -9.542 -7.940 3.108 1.00 0.00 O ATOM 1056 CB SER A 68 -7.331 -7.081 5.073 1.00 0.00 C ATOM 1057 OG SER A 68 -6.637 -7.141 6.311 1.00 0.00 O ATOM 0 H SER A 68 -5.726 -8.914 4.468 1.00 0.00 H new ATOM 0 HA SER A 68 -8.509 -8.863 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.689 -6.638 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.204 -6.435 5.170 1.00 0.00 H new ATOM 0 HG SER A 68 -5.730 -7.480 6.161 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.717 -8.921 2.243 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.246 -8.938 0.884 1.00 0.00 C ATOM 1065 C ILE A 69 -9.056 -10.222 0.651 1.00 0.00 C ATOM 1066 O ILE A 69 -9.437 -10.554 -0.474 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.107 -8.809 -0.163 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.673 -8.421 -1.533 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -6.313 -10.105 -0.261 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.609 -8.114 -2.564 1.00 0.00 C ATOM 0 H ILE A 69 -6.783 -9.319 2.339 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.906 -8.079 0.761 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.432 -8.019 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.300 -9.233 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.317 -7.549 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.520 -9.991 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.873 -10.337 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.976 -10.916 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.084 -7.847 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.997 -7.281 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.979 -8.992 -2.709 1.00 0.00 H new ATOM 1442 N SER B 8 5.088 10.840 -17.023 1.00 0.00 N ATOM 1443 CA SER B 8 6.002 11.969 -17.002 1.00 0.00 C ATOM 1444 C SER B 8 6.747 12.038 -15.666 1.00 0.00 C ATOM 1445 O SER B 8 6.152 11.825 -14.610 1.00 0.00 O ATOM 1446 CB SER B 8 5.232 13.268 -17.260 1.00 0.00 C ATOM 1447 OG SER B 8 6.113 14.370 -17.392 1.00 0.00 O ATOM 0 HA SER B 8 6.741 11.836 -17.792 1.00 0.00 H new ATOM 0 HB2 SER B 8 4.635 13.166 -18.166 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.537 13.451 -16.440 1.00 0.00 H new ATOM 0 HG SER B 8 5.595 15.185 -17.558 1.00 0.00 H new ATOM 1453 N ASP B 9 8.050 12.327 -15.730 1.00 0.00 N ATOM 1454 CA ASP B 9 8.900 12.453 -14.536 1.00 0.00 C ATOM 1455 C ASP B 9 8.261 13.341 -13.473 1.00 0.00 C ATOM 1456 O ASP B 9 7.927 12.877 -12.381 1.00 0.00 O ATOM 1457 CB ASP B 9 10.269 13.032 -14.913 1.00 0.00 C ATOM 1458 CG ASP B 9 11.265 11.984 -15.370 1.00 0.00 C ATOM 1459 OD1 ASP B 9 10.877 11.075 -16.131 1.00 0.00 O ATOM 1460 OD2 ASP B 9 12.450 12.077 -14.974 1.00 0.00 O ATOM 0 H ASP B 9 8.547 12.480 -16.607 1.00 0.00 H new ATOM 0 HA ASP B 9 9.019 11.451 -14.123 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.137 13.767 -15.707 1.00 0.00 H new ATOM 0 HB3 ASP B 9 10.680 13.561 -14.053 1.00 0.00 H new ATOM 1465 N GLU B 10 8.081 14.619 -13.804 1.00 0.00 N ATOM 1466 CA GLU B 10 7.522 15.583 -12.859 1.00 0.00 C ATOM 1467 C GLU B 10 6.082 15.245 -12.498 1.00 0.00 C ATOM 1468 O GLU B 10 5.598 15.633 -11.442 1.00 0.00 O ATOM 1469 CB GLU B 10 7.599 17.002 -13.421 1.00 0.00 C ATOM 1470 CG GLU B 10 9.017 17.538 -13.531 1.00 0.00 C ATOM 1471 CD GLU B 10 9.058 18.986 -13.965 1.00 0.00 C ATOM 1472 OE1 GLU B 10 8.684 19.863 -13.162 1.00 0.00 O ATOM 1473 OE2 GLU B 10 9.467 19.257 -15.112 1.00 0.00 O ATOM 0 H GLU B 10 8.314 15.010 -14.717 1.00 0.00 H new ATOM 0 HA GLU B 10 8.121 15.528 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.136 17.018 -14.408 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.016 17.668 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.516 17.437 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU B 10 9.576 16.933 -14.244 1.00 0.00 H new ATOM 1480 N GLN B 11 5.404 14.516 -13.375 1.00 0.00 N ATOM 1481 CA GLN B 11 4.035 14.081 -13.120 1.00 0.00 C ATOM 1482 C GLN B 11 4.005 13.097 -11.953 1.00 0.00 C ATOM 1483 O GLN B 11 3.156 13.190 -11.067 1.00 0.00 O ATOM 1484 CB GLN B 11 3.448 13.434 -14.377 1.00 0.00 C ATOM 1485 CG GLN B 11 2.009 12.971 -14.229 1.00 0.00 C ATOM 1486 CD GLN B 11 1.521 12.222 -15.454 1.00 0.00 C ATOM 1487 OE1 GLN B 11 2.302 11.562 -16.143 1.00 0.00 O ATOM 1488 NE2 GLN B 11 0.232 12.324 -15.741 1.00 0.00 N ATOM 0 H GLN B 11 5.781 14.212 -14.273 1.00 0.00 H new ATOM 0 HA GLN B 11 3.430 14.949 -12.858 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.505 14.148 -15.199 1.00 0.00 H new ATOM 0 HB3 GLN B 11 4.066 12.579 -14.654 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.924 12.327 -13.354 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.367 13.834 -14.053 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.381 12.880 -15.145 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.148 11.846 -16.558 1.00 0.00 H new ATOM 1497 N VAL B 12 4.952 12.164 -11.954 1.00 0.00 N ATOM 1498 CA VAL B 12 5.070 11.191 -10.877 1.00 0.00 C ATOM 1499 C VAL B 12 5.483 11.887 -9.584 1.00 0.00 C ATOM 1500 O VAL B 12 4.914 11.634 -8.518 1.00 0.00 O ATOM 1501 CB VAL B 12 6.095 10.085 -11.219 1.00 0.00 C ATOM 1502 CG1 VAL B 12 6.203 9.074 -10.088 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.723 9.390 -12.521 1.00 0.00 C ATOM 0 H VAL B 12 5.650 12.062 -12.691 1.00 0.00 H new ATOM 0 HA VAL B 12 4.094 10.723 -10.748 1.00 0.00 H new ATOM 0 HB VAL B 12 7.069 10.558 -11.346 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.930 8.307 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.525 9.580 -9.178 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.231 8.610 -9.921 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.457 8.616 -12.743 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.736 8.937 -12.423 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.709 10.119 -13.331 1.00 0.00 H new ATOM 1513 N GLU B 13 6.468 12.778 -9.690 1.00 0.00 N ATOM 1514 CA GLU B 13 6.927 13.549 -8.539 1.00 0.00 C ATOM 1515 C GLU B 13 5.790 14.398 -7.976 1.00 0.00 C ATOM 1516 O GLU B 13 5.668 14.558 -6.765 1.00 0.00 O ATOM 1517 CB GLU B 13 8.104 14.454 -8.915 1.00 0.00 C ATOM 1518 CG GLU B 13 9.333 13.705 -9.406 1.00 0.00 C ATOM 1519 CD GLU B 13 10.535 14.613 -9.573 1.00 0.00 C ATOM 1520 OE1 GLU B 13 10.619 15.326 -10.595 1.00 0.00 O ATOM 1521 OE2 GLU B 13 11.403 14.625 -8.673 1.00 0.00 O ATOM 0 H GLU B 13 6.961 12.982 -10.559 1.00 0.00 H new ATOM 0 HA GLU B 13 7.259 12.842 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.781 15.148 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.380 15.053 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.577 12.910 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.107 13.227 -10.359 1.00 0.00 H new ATOM 1528 N GLN B 14 4.965 14.928 -8.871 1.00 0.00 N ATOM 1529 CA GLN B 14 3.828 15.761 -8.496 1.00 0.00 C ATOM 1530 C GLN B 14 2.889 15.025 -7.542 1.00 0.00 C ATOM 1531 O GLN B 14 2.645 15.486 -6.428 1.00 0.00 O ATOM 1532 CB GLN B 14 3.073 16.194 -9.754 1.00 0.00 C ATOM 1533 CG GLN B 14 1.816 16.998 -9.481 1.00 0.00 C ATOM 1534 CD GLN B 14 1.122 17.426 -10.758 1.00 0.00 C ATOM 1535 OE1 GLN B 14 0.284 16.703 -11.299 1.00 0.00 O ATOM 1536 NE2 GLN B 14 1.459 18.607 -11.247 1.00 0.00 N ATOM 0 H GLN B 14 5.065 14.793 -9.877 1.00 0.00 H new ATOM 0 HA GLN B 14 4.204 16.642 -7.975 1.00 0.00 H new ATOM 0 HB2 GLN B 14 3.741 16.787 -10.379 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.805 15.306 -10.327 1.00 0.00 H new ATOM 0 HG2 GLN B 14 1.130 16.403 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN B 14 2.071 17.881 -8.895 1.00 0.00 H new ATOM 0 HE21 GLN B 14 2.158 19.176 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN B 14 1.020 18.949 -12.102 1.00 0.00 H new ATOM 1545 N LEU B 15 2.378 13.876 -7.977 1.00 0.00 N ATOM 1546 CA LEU B 15 1.457 13.093 -7.156 1.00 0.00 C ATOM 1547 C LEU B 15 2.112 12.678 -5.843 1.00 0.00 C ATOM 1548 O LEU B 15 1.502 12.780 -4.778 1.00 0.00 O ATOM 1549 CB LEU B 15 0.961 11.850 -7.905 1.00 0.00 C ATOM 1550 CG LEU B 15 -0.269 12.053 -8.799 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -1.413 12.658 -8.002 1.00 0.00 C ATOM 1552 CD2 LEU B 15 0.060 12.922 -10.001 1.00 0.00 C ATOM 0 H LEU B 15 2.584 13.468 -8.889 1.00 0.00 H new ATOM 0 HA LEU B 15 0.600 13.729 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.776 11.472 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.730 11.076 -7.173 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.579 11.075 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.277 12.795 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.678 11.991 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.105 13.623 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.832 13.047 -10.615 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.406 13.898 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.843 12.445 -10.591 1.00 0.00 H new ATOM 1564 N LEU B 16 3.360 12.231 -5.923 1.00 0.00 N ATOM 1565 CA LEU B 16 4.095 11.800 -4.740 1.00 0.00 C ATOM 1566 C LEU B 16 4.247 12.952 -3.750 1.00 0.00 C ATOM 1567 O LEU B 16 3.980 12.799 -2.557 1.00 0.00 O ATOM 1568 CB LEU B 16 5.473 11.260 -5.137 1.00 0.00 C ATOM 1569 CG LEU B 16 6.333 10.745 -3.980 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.665 9.560 -3.298 1.00 0.00 C ATOM 1571 CD2 LEU B 16 7.715 10.361 -4.480 1.00 0.00 C ATOM 0 H LEU B 16 3.884 12.158 -6.795 1.00 0.00 H new ATOM 0 HA LEU B 16 3.530 11.003 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.335 10.450 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.020 12.050 -5.651 1.00 0.00 H new ATOM 0 HG LEU B 16 6.438 11.545 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.293 9.210 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU B 16 4.695 9.865 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.528 8.755 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU B 16 8.315 9.997 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.625 9.577 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU B 16 8.198 11.233 -4.921 1.00 0.00 H new ATOM 1583 N ALA B 17 4.658 14.107 -4.259 1.00 0.00 N ATOM 1584 CA ALA B 17 4.883 15.275 -3.423 1.00 0.00 C ATOM 1585 C ALA B 17 3.588 15.761 -2.788 1.00 0.00 C ATOM 1586 O ALA B 17 3.575 16.146 -1.622 1.00 0.00 O ATOM 1587 CB ALA B 17 5.523 16.394 -4.231 1.00 0.00 C ATOM 0 H ALA B 17 4.842 14.258 -5.251 1.00 0.00 H new ATOM 0 HA ALA B 17 5.563 14.983 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.684 17.260 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.479 16.054 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.865 16.670 -5.055 1.00 0.00 H new ATOM 1593 N GLU B 18 2.500 15.734 -3.550 1.00 0.00 N ATOM 1594 CA GLU B 18 1.215 16.200 -3.046 1.00 0.00 C ATOM 1595 C GLU B 18 0.657 15.273 -1.966 1.00 0.00 C ATOM 1596 O GLU B 18 0.011 15.737 -1.029 1.00 0.00 O ATOM 1597 CB GLU B 18 0.211 16.376 -4.187 1.00 0.00 C ATOM 1598 CG GLU B 18 0.527 17.567 -5.080 1.00 0.00 C ATOM 1599 CD GLU B 18 -0.550 17.842 -6.111 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -1.743 17.641 -5.807 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -0.214 18.292 -7.224 1.00 0.00 O ATOM 0 H GLU B 18 2.482 15.397 -4.512 1.00 0.00 H new ATOM 0 HA GLU B 18 1.382 17.173 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.195 15.470 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.788 16.498 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.662 18.453 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.473 17.389 -5.591 1.00 0.00 H new ATOM 1608 N LEU B 19 0.918 13.975 -2.081 1.00 0.00 N ATOM 1609 CA LEU B 19 0.499 13.027 -1.051 1.00 0.00 C ATOM 1610 C LEU B 19 1.275 13.279 0.240 1.00 0.00 C ATOM 1611 O LEU B 19 0.695 13.350 1.329 1.00 0.00 O ATOM 1612 CB LEU B 19 0.708 11.583 -1.517 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.142 11.152 -2.715 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.164 9.711 -3.092 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.624 11.316 -2.412 1.00 0.00 C ATOM 0 H LEU B 19 1.413 13.557 -2.869 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.565 13.174 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.759 11.450 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.495 10.915 -0.682 1.00 0.00 H new ATOM 0 HG LEU B 19 0.108 11.794 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.449 9.420 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.218 9.619 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.058 9.059 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.209 11.004 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.890 10.700 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.836 12.362 -2.189 1.00 0.00 H new ATOM 1627 N LEU B 20 2.589 13.438 0.107 1.00 0.00 N ATOM 1628 CA LEU B 20 3.440 13.760 1.245 1.00 0.00 C ATOM 1629 C LEU B 20 3.063 15.127 1.808 1.00 0.00 C ATOM 1630 O LEU B 20 3.136 15.362 3.015 1.00 0.00 O ATOM 1631 CB LEU B 20 4.914 13.749 0.829 1.00 0.00 C ATOM 1632 CG LEU B 20 5.425 12.414 0.276 1.00 0.00 C ATOM 1633 CD1 LEU B 20 6.875 12.538 -0.163 1.00 0.00 C ATOM 1634 CD2 LEU B 20 5.277 11.313 1.317 1.00 0.00 C ATOM 0 H LEU B 20 3.086 13.349 -0.779 1.00 0.00 H new ATOM 0 HA LEU B 20 3.292 13.005 2.017 1.00 0.00 H new ATOM 0 HB2 LEU B 20 5.068 14.520 0.074 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.521 14.023 1.692 1.00 0.00 H new ATOM 0 HG LEU B 20 4.823 12.150 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU B 20 7.220 11.580 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU B 20 6.956 13.297 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU B 20 7.490 12.826 0.690 1.00 0.00 H new ATOM 0 HD21 LEU B 20 5.645 10.373 0.907 1.00 0.00 H new ATOM 0 HD22 LEU B 20 5.854 11.572 2.205 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.226 11.205 1.586 1.00 0.00 H new ATOM 1646 N ASN B 21 2.651 16.017 0.911 1.00 0.00 N ATOM 1647 CA ASN B 21 2.181 17.344 1.286 1.00 0.00 C ATOM 1648 C ASN B 21 0.983 17.247 2.217 1.00 0.00 C ATOM 1649 O ASN B 21 0.931 17.932 3.226 1.00 0.00 O ATOM 1650 CB ASN B 21 1.814 18.153 0.036 1.00 0.00 C ATOM 1651 CG ASN B 21 1.206 19.505 0.362 1.00 0.00 C ATOM 1652 OD1 ASN B 21 1.918 20.491 0.535 1.00 0.00 O ATOM 1653 ND2 ASN B 21 -0.118 19.564 0.425 1.00 0.00 N ATOM 0 H ASN B 21 2.634 15.839 -0.093 1.00 0.00 H new ATOM 0 HA ASN B 21 2.987 17.855 1.812 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.708 18.299 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.110 17.580 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.580 20.451 0.623 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -0.674 18.722 0.275 1.00 0.00 H new ATOM 1660 N VAL B 22 0.027 16.386 1.878 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.164 16.197 2.703 1.00 0.00 C ATOM 1662 C VAL B 22 -0.783 15.737 4.110 1.00 0.00 C ATOM 1663 O VAL B 22 -1.366 16.186 5.101 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.137 15.177 2.073 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.334 14.938 2.979 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.597 15.655 0.706 1.00 0.00 C ATOM 0 H VAL B 22 0.053 15.808 1.038 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.667 17.162 2.763 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.606 14.233 1.953 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.005 14.216 2.513 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.992 14.549 3.938 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.865 15.877 3.136 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.282 14.924 0.277 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.106 16.613 0.808 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.733 15.771 0.051 1.00 0.00 H new ATOM 1676 N LEU B 23 0.203 14.852 4.193 1.00 0.00 N ATOM 1677 CA LEU B 23 0.696 14.379 5.483 1.00 0.00 C ATOM 1678 C LEU B 23 1.265 15.534 6.305 1.00 0.00 C ATOM 1679 O LEU B 23 0.907 15.716 7.467 1.00 0.00 O ATOM 1680 CB LEU B 23 1.769 13.304 5.295 1.00 0.00 C ATOM 1681 CG LEU B 23 1.306 12.027 4.588 1.00 0.00 C ATOM 1682 CD1 LEU B 23 2.459 11.042 4.472 1.00 0.00 C ATOM 1683 CD2 LEU B 23 0.135 11.394 5.329 1.00 0.00 C ATOM 0 H LEU B 23 0.677 14.448 3.385 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.148 13.946 6.020 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.594 13.734 4.727 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.163 13.034 6.275 1.00 0.00 H new ATOM 0 HG LEU B 23 0.970 12.291 3.585 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.116 10.139 3.968 1.00 0.00 H new ATOM 0 HD12 LEU B 23 3.267 11.494 3.897 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.821 10.786 5.468 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.178 10.488 4.809 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.440 11.143 6.345 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.697 12.098 5.364 1.00 0.00 H new ATOM 1695 N GLU B 24 2.130 16.326 5.684 1.00 0.00 N ATOM 1696 CA GLU B 24 2.790 17.433 6.370 1.00 0.00 C ATOM 1697 C GLU B 24 1.818 18.595 6.592 1.00 0.00 C ATOM 1698 O GLU B 24 2.021 19.434 7.463 1.00 0.00 O ATOM 1699 CB GLU B 24 4.007 17.891 5.562 1.00 0.00 C ATOM 1700 CG GLU B 24 4.896 18.881 6.296 1.00 0.00 C ATOM 1701 CD GLU B 24 6.113 19.278 5.489 1.00 0.00 C ATOM 1702 OE1 GLU B 24 7.089 18.503 5.461 1.00 0.00 O ATOM 1703 OE2 GLU B 24 6.104 20.372 4.891 1.00 0.00 O ATOM 0 H GLU B 24 2.392 16.223 4.704 1.00 0.00 H new ATOM 0 HA GLU B 24 3.125 17.089 7.348 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.600 17.018 5.290 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.664 18.345 4.633 1.00 0.00 H new ATOM 0 HG2 GLU B 24 4.318 19.773 6.538 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.218 18.444 7.241 1.00 0.00 H new ATOM 1710 N LYS B 25 0.758 18.627 5.801 1.00 0.00 N ATOM 1711 CA LYS B 25 -0.283 19.639 5.933 1.00 0.00 C ATOM 1712 C LYS B 25 -1.113 19.395 7.190 1.00 0.00 C ATOM 1713 O LYS B 25 -1.682 20.324 7.765 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.170 19.620 4.682 1.00 0.00 C ATOM 1715 CG LYS B 25 -2.396 20.516 4.753 1.00 0.00 C ATOM 1716 CD LYS B 25 -3.112 20.565 3.412 1.00 0.00 C ATOM 1717 CE LYS B 25 -4.462 21.255 3.511 1.00 0.00 C ATOM 1718 NZ LYS B 25 -5.454 20.439 4.255 1.00 0.00 N ATOM 0 H LYS B 25 0.593 17.956 5.051 1.00 0.00 H new ATOM 0 HA LYS B 25 0.180 20.621 6.027 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.569 19.919 3.823 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.496 18.596 4.501 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -3.077 20.147 5.520 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -2.099 21.522 5.048 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.489 21.090 2.688 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.250 19.551 3.038 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -4.341 22.218 4.007 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.839 21.458 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -6.178 20.088 3.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.974 19.633 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.906 21.024 4.987 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.167 18.140 7.619 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.932 17.771 8.805 1.00 0.00 C ATOM 1734 C HIS B 26 -1.020 17.513 9.998 1.00 0.00 C ATOM 1735 O HIS B 26 -1.418 17.731 11.141 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.769 16.514 8.542 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.865 16.690 7.535 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.160 15.741 6.577 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -4.766 17.686 7.362 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.195 16.146 5.864 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.580 17.319 6.321 1.00 0.00 N ATOM 0 H HIS B 26 -0.691 17.361 7.164 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.589 18.610 9.035 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.107 15.718 8.202 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.209 16.183 9.483 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -4.831 18.598 7.936 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -5.648 15.607 5.045 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -6.360 17.868 5.959 1.00 0.00 H new ATOM 1750 N LYS B 27 0.202 17.064 9.719 1.00 0.00 N ATOM 1751 CA LYS B 27 1.117 16.567 10.752 1.00 0.00 C ATOM 1752 C LYS B 27 0.529 15.317 11.403 1.00 0.00 C ATOM 1753 O LYS B 27 -0.091 15.386 12.468 1.00 0.00 O ATOM 1754 CB LYS B 27 1.433 17.616 11.832 1.00 0.00 C ATOM 1755 CG LYS B 27 2.460 18.668 11.429 1.00 0.00 C ATOM 1756 CD LYS B 27 1.885 19.696 10.470 1.00 0.00 C ATOM 1757 CE LYS B 27 2.866 20.830 10.220 1.00 0.00 C ATOM 1758 NZ LYS B 27 2.320 21.832 9.269 1.00 0.00 N ATOM 0 H LYS B 27 0.587 17.033 8.775 1.00 0.00 H new ATOM 0 HA LYS B 27 2.058 16.330 10.255 1.00 0.00 H new ATOM 0 HB2 LYS B 27 0.507 18.121 12.108 1.00 0.00 H new ATOM 0 HB3 LYS B 27 1.793 17.101 12.723 1.00 0.00 H new ATOM 0 HG2 LYS B 27 2.829 19.173 12.322 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.315 18.178 10.963 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.635 19.214 9.525 1.00 0.00 H new ATOM 0 HD3 LYS B 27 0.958 20.098 10.878 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.106 21.318 11.165 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.798 20.424 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.048 22.544 9.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 2.036 21.356 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 1.493 22.298 9.693 1.00 0.00 H new ATOM 1772 N ALA B 28 0.705 14.182 10.744 1.00 0.00 N ATOM 1773 CA ALA B 28 0.129 12.928 11.206 1.00 0.00 C ATOM 1774 C ALA B 28 1.221 11.919 11.549 1.00 0.00 C ATOM 1775 O ALA B 28 2.293 11.927 10.944 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.804 12.365 10.143 1.00 0.00 C ATOM 0 H ALA B 28 1.245 14.103 9.882 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.443 13.122 12.113 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.232 11.426 10.495 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.605 13.078 9.947 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.244 12.187 9.225 1.00 0.00 H new ATOM 1782 N PRO B 29 0.972 11.055 12.546 1.00 0.00 N ATOM 1783 CA PRO B 29 1.918 10.012 12.948 1.00 0.00 C ATOM 1784 C PRO B 29 2.087 8.936 11.876 1.00 0.00 C ATOM 1785 O PRO B 29 1.199 8.727 11.042 1.00 0.00 O ATOM 1786 CB PRO B 29 1.292 9.406 14.214 1.00 0.00 C ATOM 1787 CG PRO B 29 0.227 10.365 14.633 1.00 0.00 C ATOM 1788 CD PRO B 29 -0.239 11.043 13.379 1.00 0.00 C ATOM 0 HA PRO B 29 2.916 10.421 13.109 1.00 0.00 H new ATOM 0 HB2 PRO B 29 0.874 8.420 14.011 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.038 9.281 14.999 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.596 9.844 15.123 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.615 11.091 15.347 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.053 10.496 12.902 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.604 12.051 13.576 1.00 0.00 H new ATOM 1796 N THR B 30 3.221 8.251 11.915 1.00 0.00 N ATOM 1797 CA THR B 30 3.528 7.202 10.952 1.00 0.00 C ATOM 1798 C THR B 30 2.479 6.092 10.996 1.00 0.00 C ATOM 1799 O THR B 30 2.076 5.564 9.959 1.00 0.00 O ATOM 1800 CB THR B 30 4.922 6.611 11.229 1.00 0.00 C ATOM 1801 OG1 THR B 30 5.854 7.678 11.447 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.396 5.747 10.066 1.00 0.00 C ATOM 0 H THR B 30 3.951 8.405 12.611 1.00 0.00 H new ATOM 0 HA THR B 30 3.518 7.648 9.958 1.00 0.00 H new ATOM 0 HB THR B 30 4.860 5.981 12.116 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.742 7.305 11.625 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.383 5.344 10.291 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.695 4.926 9.913 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.449 6.352 9.161 1.00 0.00 H new ATOM 1810 N ASP B 31 2.027 5.761 12.205 1.00 0.00 N ATOM 1811 CA ASP B 31 1.013 4.723 12.399 1.00 0.00 C ATOM 1812 C ASP B 31 -0.240 5.053 11.604 1.00 0.00 C ATOM 1813 O ASP B 31 -0.763 4.220 10.864 1.00 0.00 O ATOM 1814 CB ASP B 31 0.635 4.603 13.876 1.00 0.00 C ATOM 1815 CG ASP B 31 1.830 4.631 14.800 1.00 0.00 C ATOM 1816 OD1 ASP B 31 2.251 5.744 15.187 1.00 0.00 O ATOM 1817 OD2 ASP B 31 2.342 3.552 15.157 1.00 0.00 O ATOM 0 H ASP B 31 2.348 6.198 13.069 1.00 0.00 H new ATOM 0 HA ASP B 31 1.435 3.779 12.053 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -0.039 5.418 14.139 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.087 3.674 14.030 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.706 6.287 11.760 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.905 6.751 11.079 1.00 0.00 C ATOM 1824 C LEU B 32 -1.696 6.743 9.570 1.00 0.00 C ATOM 1825 O LEU B 32 -2.569 6.318 8.816 1.00 0.00 O ATOM 1826 CB LEU B 32 -2.267 8.161 11.555 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.542 8.746 10.948 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.751 7.917 11.346 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.721 10.194 11.375 1.00 0.00 C ATOM 0 H LEU B 32 -0.266 6.987 12.357 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.726 6.075 11.319 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.375 8.144 12.640 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.436 8.829 11.327 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.450 8.718 9.862 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.649 8.349 10.905 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.626 6.895 10.988 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.847 7.911 12.432 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.634 10.593 10.933 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.790 10.247 12.461 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.867 10.781 11.037 1.00 0.00 H new ATOM 1841 N SER B 33 -0.526 7.202 9.145 1.00 0.00 N ATOM 1842 CA SER B 33 -0.180 7.234 7.733 1.00 0.00 C ATOM 1843 C SER B 33 -0.238 5.829 7.131 1.00 0.00 C ATOM 1844 O SER B 33 -0.868 5.615 6.095 1.00 0.00 O ATOM 1845 CB SER B 33 1.213 7.838 7.553 1.00 0.00 C ATOM 1846 OG SER B 33 1.292 9.121 8.156 1.00 0.00 O ATOM 0 H SER B 33 0.202 7.559 9.764 1.00 0.00 H new ATOM 0 HA SER B 33 -0.905 7.856 7.208 1.00 0.00 H new ATOM 0 HB2 SER B 33 1.960 7.178 7.995 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.445 7.916 6.491 1.00 0.00 H new ATOM 0 HG SER B 33 1.342 9.022 9.130 1.00 0.00 H new ATOM 1852 N LEU B 34 0.397 4.869 7.802 1.00 0.00 N ATOM 1853 CA LEU B 34 0.408 3.483 7.344 1.00 0.00 C ATOM 1854 C LEU B 34 -1.005 2.906 7.309 1.00 0.00 C ATOM 1855 O LEU B 34 -1.384 2.226 6.354 1.00 0.00 O ATOM 1856 CB LEU B 34 1.294 2.626 8.253 1.00 0.00 C ATOM 1857 CG LEU B 34 2.791 2.930 8.185 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.544 2.130 9.233 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.333 2.624 6.796 1.00 0.00 C ATOM 0 H LEU B 34 0.912 5.028 8.668 1.00 0.00 H new ATOM 0 HA LEU B 34 0.814 3.469 6.332 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.961 2.755 9.283 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.141 1.578 7.997 1.00 0.00 H new ATOM 0 HG LEU B 34 2.936 3.991 8.389 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.608 2.359 9.170 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.175 2.391 10.225 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.391 1.065 9.057 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.400 2.846 6.765 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.175 1.570 6.568 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.813 3.237 6.059 1.00 0.00 H new ATOM 1871 N MET B 35 -1.777 3.190 8.353 1.00 0.00 N ATOM 1872 CA MET B 35 -3.147 2.699 8.458 1.00 0.00 C ATOM 1873 C MET B 35 -3.998 3.187 7.287 1.00 0.00 C ATOM 1874 O MET B 35 -4.716 2.405 6.661 1.00 0.00 O ATOM 1875 CB MET B 35 -3.773 3.146 9.786 1.00 0.00 C ATOM 1876 CG MET B 35 -5.204 2.669 9.982 1.00 0.00 C ATOM 1877 SD MET B 35 -5.907 3.188 11.561 1.00 0.00 S ATOM 1878 CE MET B 35 -7.559 2.509 11.423 1.00 0.00 C ATOM 0 H MET B 35 -1.475 3.761 9.143 1.00 0.00 H new ATOM 0 HA MET B 35 -3.117 1.610 8.427 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.161 2.776 10.608 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.752 4.235 9.838 1.00 0.00 H new ATOM 0 HG2 MET B 35 -5.824 3.052 9.171 1.00 0.00 H new ATOM 0 HG3 MET B 35 -5.231 1.581 9.918 1.00 0.00 H new ATOM 0 HE1 MET B 35 -8.125 2.744 12.324 1.00 0.00 H new ATOM 0 HE2 MET B 35 -8.059 2.942 10.557 1.00 0.00 H new ATOM 0 HE3 MET B 35 -7.499 1.427 11.304 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.905 4.478 6.986 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.673 5.059 5.894 1.00 0.00 C ATOM 1890 C VAL B 36 -4.197 4.523 4.546 1.00 0.00 C ATOM 1891 O VAL B 36 -5.012 4.133 3.707 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.598 6.603 5.902 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.314 7.191 4.696 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -5.189 7.153 7.188 1.00 0.00 C ATOM 0 H VAL B 36 -3.307 5.139 7.482 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.713 4.768 6.044 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.548 6.892 5.846 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -5.246 8.278 4.727 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.848 6.824 3.782 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.362 6.893 4.714 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -5.129 8.241 7.180 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -6.232 6.847 7.269 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.630 6.766 8.040 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.880 4.483 4.348 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.306 3.990 3.096 1.00 0.00 C ATOM 1906 C LEU B 37 -2.723 2.547 2.835 1.00 0.00 C ATOM 1907 O LEU B 37 -3.091 2.193 1.714 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.777 4.095 3.113 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.219 5.520 3.151 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.302 5.496 3.168 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.732 6.328 1.967 1.00 0.00 C ATOM 0 H LEU B 37 -2.191 4.785 5.037 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.690 4.616 2.291 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.402 3.552 3.981 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.385 3.592 2.229 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.564 6.001 4.066 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.682 6.517 3.195 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.648 4.957 4.050 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.668 4.996 2.271 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.324 7.338 2.012 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.419 5.851 1.038 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.820 6.374 2.002 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.679 1.726 3.879 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.095 0.341 3.756 1.00 0.00 C ATOM 1925 C GLY B 38 -4.542 0.220 3.318 1.00 0.00 C ATOM 1926 O GLY B 38 -4.882 -0.616 2.476 1.00 0.00 O ATOM 0 H GLY B 38 -2.362 1.996 4.810 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.454 -0.168 3.036 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.962 -0.164 4.713 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.392 1.069 3.884 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.803 1.101 3.516 1.00 0.00 C ATOM 1932 C ASN B 39 -6.968 1.556 2.070 1.00 0.00 C ATOM 1933 O ASN B 39 -7.779 1.001 1.329 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.582 2.028 4.458 1.00 0.00 C ATOM 1935 CG ASN B 39 -9.055 2.127 4.096 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.864 1.301 4.506 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.415 3.156 3.342 1.00 0.00 N ATOM 0 H ASN B 39 -5.128 1.745 4.601 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.205 0.092 3.610 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.487 1.663 5.481 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.138 3.023 4.432 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.394 3.281 3.084 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.713 3.822 3.020 1.00 0.00 H new ATOM 1944 N MET B 40 -6.183 2.556 1.673 1.00 0.00 N ATOM 1945 CA MET B 40 -6.223 3.072 0.307 1.00 0.00 C ATOM 1946 C MET B 40 -5.892 1.973 -0.694 1.00 0.00 C ATOM 1947 O MET B 40 -6.633 1.752 -1.650 1.00 0.00 O ATOM 1948 CB MET B 40 -5.241 4.235 0.133 1.00 0.00 C ATOM 1949 CG MET B 40 -5.601 5.473 0.937 1.00 0.00 C ATOM 1950 SD MET B 40 -4.435 6.828 0.695 1.00 0.00 S ATOM 1951 CE MET B 40 -4.654 7.166 -1.052 1.00 0.00 C ATOM 0 H MET B 40 -5.511 3.025 2.280 1.00 0.00 H new ATOM 0 HA MET B 40 -7.234 3.433 0.119 1.00 0.00 H new ATOM 0 HB2 MET B 40 -4.245 3.902 0.424 1.00 0.00 H new ATOM 0 HB3 MET B 40 -5.193 4.501 -0.923 1.00 0.00 H new ATOM 0 HG2 MET B 40 -6.600 5.805 0.656 1.00 0.00 H new ATOM 0 HG3 MET B 40 -5.637 5.215 1.996 1.00 0.00 H new ATOM 0 HE1 MET B 40 -4.375 8.199 -1.260 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.022 6.495 -1.634 1.00 0.00 H new ATOM 0 HE3 MET B 40 -5.698 7.010 -1.325 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.784 1.278 -0.456 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.347 0.199 -1.336 1.00 0.00 C ATOM 1963 C VAL B 41 -5.405 -0.899 -1.417 1.00 0.00 C ATOM 1964 O VAL B 41 -5.815 -1.295 -2.508 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.007 -0.410 -0.865 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.593 -1.577 -1.754 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -1.915 0.649 -0.842 1.00 0.00 C ATOM 0 H VAL B 41 -4.170 1.443 0.342 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.202 0.632 -2.326 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.149 -0.787 0.148 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.647 -1.986 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.359 -2.351 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.476 -1.229 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.980 0.200 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -1.784 1.058 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.198 1.449 -0.158 1.00 0.00 H new ATOM 1977 N THR B 42 -5.859 -1.367 -0.259 1.00 0.00 N ATOM 1978 CA THR B 42 -6.852 -2.432 -0.198 1.00 0.00 C ATOM 1979 C THR B 42 -8.136 -2.037 -0.930 1.00 0.00 C ATOM 1980 O THR B 42 -8.627 -2.774 -1.788 1.00 0.00 O ATOM 1981 CB THR B 42 -7.179 -2.792 1.266 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.967 -3.071 1.980 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.100 -4.002 1.338 1.00 0.00 C ATOM 0 H THR B 42 -5.554 -1.024 0.652 1.00 0.00 H new ATOM 0 HA THR B 42 -6.425 -3.304 -0.693 1.00 0.00 H new ATOM 0 HB THR B 42 -7.688 -1.942 1.720 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.537 -2.229 2.237 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.315 -4.234 2.381 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.031 -3.782 0.816 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.614 -4.857 0.868 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.657 -0.855 -0.614 1.00 0.00 N ATOM 1992 CA ASN B 43 -9.903 -0.379 -1.207 1.00 0.00 C ATOM 1993 C ASN B 43 -9.771 -0.222 -2.716 1.00 0.00 C ATOM 1994 O ASN B 43 -10.644 -0.652 -3.470 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.323 0.954 -0.581 1.00 0.00 C ATOM 1996 CG ASN B 43 -11.617 1.497 -1.167 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -11.608 2.228 -2.156 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -12.738 1.148 -0.557 1.00 0.00 N ATOM 0 H ASN B 43 -8.234 -0.208 0.051 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.671 -1.126 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.443 0.824 0.495 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -9.528 1.685 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.635 1.487 -0.905 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -12.705 0.540 0.261 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.668 0.376 -3.150 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.446 0.652 -4.566 1.00 0.00 C ATOM 2007 C LEU B 44 -8.416 -0.642 -5.380 1.00 0.00 C ATOM 2008 O LEU B 44 -9.017 -0.727 -6.454 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.134 1.420 -4.745 1.00 0.00 C ATOM 2010 CG LEU B 44 -6.917 2.036 -6.128 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.979 3.081 -6.422 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.531 2.652 -6.219 1.00 0.00 C ATOM 0 H LEU B 44 -7.910 0.681 -2.539 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.273 1.261 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.094 2.216 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.305 0.744 -4.533 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.998 1.245 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.807 3.507 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.964 2.616 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.929 3.871 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.390 3.087 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.428 3.430 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.779 1.881 -6.051 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.732 -1.651 -4.853 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.600 -2.930 -5.541 1.00 0.00 C ATOM 2026 C ILE B 45 -8.909 -3.728 -5.490 1.00 0.00 C ATOM 2027 O ILE B 45 -9.197 -4.522 -6.381 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.444 -3.772 -4.942 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.125 -3.003 -5.042 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.322 -5.115 -5.649 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -3.939 -3.738 -4.448 1.00 0.00 C ATOM 0 H ILE B 45 -7.260 -1.608 -3.950 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.368 -2.712 -6.584 1.00 0.00 H new ATOM 0 HB ILE B 45 -6.669 -3.960 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.919 -2.789 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.236 -2.044 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.504 -5.685 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.253 -5.671 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.122 -4.952 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.042 -3.129 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.122 -3.929 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.800 -4.685 -4.969 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.713 -3.503 -4.460 1.00 0.00 N ATOM 2044 CA ASN B 46 -10.965 -4.245 -4.310 1.00 0.00 C ATOM 2045 C ASN B 46 -12.103 -3.615 -5.109 1.00 0.00 C ATOM 2046 O ASN B 46 -13.130 -4.251 -5.336 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.380 -4.353 -2.838 1.00 0.00 C ATOM 2048 CG ASN B 46 -10.638 -5.444 -2.085 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -9.365 -5.636 -2.390 1.00 0.00 O flip ATOM 2050 ND2 ASN B 46 -11.208 -6.105 -1.221 1.00 0.00 N flip ATOM 0 H ASN B 46 -9.528 -2.823 -3.723 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.776 -5.244 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.203 -3.396 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.451 -4.546 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -12.191 -5.931 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -10.699 -6.828 -0.713 1.00 0.00 H new ATOM 2057 N THR B 47 -11.929 -2.371 -5.529 1.00 0.00 N ATOM 2058 CA THR B 47 -12.982 -1.677 -6.255 1.00 0.00 C ATOM 2059 C THR B 47 -12.667 -1.552 -7.747 1.00 0.00 C ATOM 2060 O THR B 47 -13.401 -2.068 -8.588 1.00 0.00 O ATOM 2061 CB THR B 47 -13.239 -0.278 -5.663 1.00 0.00 C ATOM 2062 OG1 THR B 47 -11.997 0.424 -5.500 1.00 0.00 O ATOM 2063 CG2 THR B 47 -13.951 -0.375 -4.322 1.00 0.00 C ATOM 0 H THR B 47 -11.079 -1.826 -5.382 1.00 0.00 H new ATOM 0 HA THR B 47 -13.882 -2.282 -6.146 1.00 0.00 H new ATOM 0 HB THR B 47 -13.878 0.270 -6.356 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.617 0.217 -4.621 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.120 0.627 -3.926 1.00 0.00 H new ATOM 0 HG22 THR B 47 -14.908 -0.879 -4.454 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.336 -0.942 -3.623 1.00 0.00 H new ATOM 2071 N SER B 48 -11.570 -0.879 -8.068 1.00 0.00 N ATOM 2072 CA SER B 48 -11.238 -0.586 -9.457 1.00 0.00 C ATOM 2073 C SER B 48 -10.319 -1.644 -10.072 1.00 0.00 C ATOM 2074 O SER B 48 -9.750 -1.431 -11.143 1.00 0.00 O ATOM 2075 CB SER B 48 -10.605 0.804 -9.551 1.00 0.00 C ATOM 2076 OG SER B 48 -9.760 1.064 -8.440 1.00 0.00 O ATOM 0 H SER B 48 -10.896 -0.526 -7.388 1.00 0.00 H new ATOM 0 HA SER B 48 -12.163 -0.605 -10.033 1.00 0.00 H new ATOM 0 HB2 SER B 48 -10.030 0.882 -10.474 1.00 0.00 H new ATOM 0 HB3 SER B 48 -11.389 1.560 -9.599 1.00 0.00 H new ATOM 0 HG SER B 48 -9.369 1.958 -8.529 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.182 -2.779 -9.401 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.413 -3.895 -9.938 1.00 0.00 C ATOM 2084 C ILE B 49 -10.292 -5.141 -9.979 1.00 0.00 C ATOM 2085 O ILE B 49 -11.097 -5.360 -9.074 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.134 -4.174 -9.105 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.213 -2.946 -9.100 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.385 -5.392 -9.634 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -6.695 -2.558 -10.470 1.00 0.00 C ATOM 0 H ILE B 49 -10.593 -2.952 -8.484 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.092 -3.630 -10.946 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.444 -4.384 -8.081 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.754 -2.101 -8.675 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -6.365 -3.144 -8.445 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.494 -5.562 -9.030 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.032 -6.268 -9.581 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.093 -5.218 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -6.052 -1.682 -10.381 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.124 -3.386 -10.891 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.535 -2.327 -11.125 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.149 -5.929 -11.043 1.00 0.00 N ATOM 2102 CA ALA B 50 -10.953 -7.135 -11.241 1.00 0.00 C ATOM 2103 C ALA B 50 -10.909 -8.055 -10.019 1.00 0.00 C ATOM 2104 O ALA B 50 -9.850 -8.575 -9.658 1.00 0.00 O ATOM 2105 CB ALA B 50 -10.474 -7.878 -12.481 1.00 0.00 C ATOM 0 H ALA B 50 -9.476 -5.751 -11.789 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.990 -6.828 -11.380 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.077 -8.775 -12.623 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.574 -7.232 -13.353 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.428 -8.159 -12.355 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.072 -8.272 -9.376 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.182 -9.073 -8.149 1.00 0.00 C ATOM 2113 C PRO B 51 -11.690 -10.508 -8.319 1.00 0.00 C ATOM 2114 O PRO B 51 -11.300 -11.157 -7.349 1.00 0.00 O ATOM 2115 CB PRO B 51 -13.683 -9.062 -7.835 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.216 -7.872 -8.553 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.379 -7.734 -9.792 1.00 0.00 C ATOM 0 HA PRO B 51 -11.560 -8.658 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.165 -9.978 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -13.862 -8.989 -6.762 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.268 -8.006 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.148 -6.978 -7.933 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.799 -8.296 -10.626 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.303 -6.695 -10.113 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.687 -10.996 -9.550 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.291 -12.371 -9.817 1.00 0.00 C ATOM 2127 C ALA B 52 -9.772 -12.539 -9.784 1.00 0.00 C ATOM 2128 O ALA B 52 -9.269 -13.655 -9.641 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.846 -12.830 -11.155 1.00 0.00 C ATOM 0 H ALA B 52 -11.953 -10.463 -10.378 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.708 -12.995 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.542 -13.860 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.934 -12.771 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.461 -12.189 -11.948 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.040 -11.437 -9.899 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.582 -11.506 -9.958 1.00 0.00 C ATOM 2137 C GLN B 53 -6.920 -10.526 -8.989 1.00 0.00 C ATOM 2138 O GLN B 53 -5.698 -10.375 -8.996 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.098 -11.221 -11.380 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.510 -9.851 -11.893 1.00 0.00 C ATOM 2141 CD GLN B 53 -6.976 -9.557 -13.278 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -5.888 -9.004 -13.434 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -7.735 -9.932 -14.293 1.00 0.00 N ATOM 0 H GLN B 53 -9.425 -10.494 -9.953 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.295 -12.515 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.011 -11.300 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.491 -11.985 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.598 -9.786 -11.907 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.154 -9.087 -11.202 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.631 -10.388 -14.119 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.425 -9.766 -15.250 1.00 0.00 H new ATOM 2152 N ARG B 54 -7.709 -9.881 -8.137 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.169 -8.839 -7.267 1.00 0.00 C ATOM 2154 C ARG B 54 -6.239 -9.393 -6.183 1.00 0.00 C ATOM 2155 O ARG B 54 -5.459 -8.647 -5.596 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.282 -7.964 -6.657 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.523 -8.699 -6.163 1.00 0.00 C ATOM 2158 CD ARG B 54 -9.271 -9.510 -4.903 1.00 0.00 C ATOM 2159 NE ARG B 54 -10.523 -9.917 -4.262 1.00 0.00 N ATOM 2160 CZ ARG B 54 -10.918 -11.183 -4.113 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -10.200 -12.172 -4.632 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -12.052 -11.455 -3.476 1.00 0.00 N ATOM 0 H ARG B 54 -8.708 -10.056 -8.029 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.559 -8.200 -7.906 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.859 -7.406 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.592 -7.233 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -10.315 -7.975 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -9.883 -9.362 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -8.685 -10.395 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -8.679 -8.921 -4.203 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.135 -9.183 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -9.344 -11.965 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -10.505 -13.139 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.621 -10.696 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -12.354 -12.423 -3.362 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.290 -10.698 -5.931 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.388 -11.294 -4.950 1.00 0.00 C ATOM 2178 C GLN B 55 -4.045 -11.592 -5.596 1.00 0.00 C ATOM 2179 O GLN B 55 -3.000 -11.509 -4.948 1.00 0.00 O ATOM 2180 CB GLN B 55 -5.978 -12.560 -4.333 1.00 0.00 C ATOM 2181 CG GLN B 55 -7.208 -12.296 -3.486 1.00 0.00 C ATOM 2182 CD GLN B 55 -7.682 -13.529 -2.746 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -7.483 -14.655 -3.201 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -8.324 -13.324 -1.609 1.00 0.00 N ATOM 0 H GLN B 55 -6.931 -11.351 -6.381 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.248 -10.575 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -6.236 -13.258 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.219 -13.044 -3.719 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -6.987 -11.508 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -8.012 -11.928 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -8.467 -12.373 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -8.676 -14.117 -1.072 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.077 -11.921 -6.882 1.00 0.00 N ATOM 2194 CA ALA B 56 -2.856 -12.085 -7.655 1.00 0.00 C ATOM 2195 C ALA B 56 -2.135 -10.747 -7.748 1.00 0.00 C ATOM 2196 O ALA B 56 -0.911 -10.675 -7.632 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.168 -12.630 -9.040 1.00 0.00 C ATOM 0 H ALA B 56 -4.936 -12.079 -7.409 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.207 -12.804 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.242 -12.746 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -3.660 -13.598 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -3.827 -11.937 -9.564 1.00 0.00 H new ATOM 2203 N ILE B 57 -2.920 -9.687 -7.930 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.397 -8.326 -7.920 1.00 0.00 C ATOM 2205 C ILE B 57 -1.745 -8.024 -6.572 1.00 0.00 C ATOM 2206 O ILE B 57 -0.640 -7.481 -6.509 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.511 -7.288 -8.192 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.167 -7.542 -9.554 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.957 -5.869 -8.123 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -3.203 -7.481 -10.721 1.00 0.00 C ATOM 0 H ILE B 57 -3.926 -9.747 -8.087 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.656 -8.253 -8.716 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.271 -7.397 -7.418 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -4.643 -8.522 -9.540 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.956 -6.807 -9.709 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.758 -5.156 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.543 -5.688 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.174 -5.748 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.742 -7.671 -11.649 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -2.745 -6.493 -10.763 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -2.427 -8.235 -10.592 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.429 -8.405 -5.497 1.00 0.00 N ATOM 2223 CA ALA B 58 -1.907 -8.216 -4.150 1.00 0.00 C ATOM 2224 C ALA B 58 -0.581 -8.948 -3.971 1.00 0.00 C ATOM 2225 O ALA B 58 0.331 -8.445 -3.314 1.00 0.00 O ATOM 2226 CB ALA B 58 -2.916 -8.691 -3.115 1.00 0.00 C ATOM 0 H ALA B 58 -3.347 -8.847 -5.534 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.731 -7.150 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.509 -8.542 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.840 -8.122 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.123 -9.750 -3.268 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.472 -10.132 -4.568 1.00 0.00 N ATOM 2233 CA ASN B 59 0.760 -10.910 -4.497 1.00 0.00 C ATOM 2234 C ASN B 59 1.887 -10.203 -5.236 1.00 0.00 C ATOM 2235 O ASN B 59 2.970 -10.016 -4.687 1.00 0.00 O ATOM 2236 CB ASN B 59 0.569 -12.321 -5.063 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.020 -13.294 -4.055 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -0.899 -12.808 -3.192 1.00 0.00 O flip ATOM 2239 ND2 ASN B 59 0.305 -14.481 -4.064 1.00 0.00 N flip ATOM 0 H ASN B 59 -1.220 -10.572 -5.105 1.00 0.00 H new ATOM 0 HA ASN B 59 1.026 -11.000 -3.444 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.084 -12.271 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.531 -12.701 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN B 59 0.986 -14.818 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -0.107 -15.128 -3.391 1.00 0.00 H new ATOM 2246 N SER B 60 1.624 -9.790 -6.472 1.00 0.00 N ATOM 2247 CA SER B 60 2.633 -9.107 -7.271 1.00 0.00 C ATOM 2248 C SER B 60 3.072 -7.801 -6.608 1.00 0.00 C ATOM 2249 O SER B 60 4.243 -7.430 -6.674 1.00 0.00 O ATOM 2250 CB SER B 60 2.112 -8.855 -8.691 1.00 0.00 C ATOM 2251 OG SER B 60 0.785 -8.357 -8.679 1.00 0.00 O ATOM 0 H SER B 60 0.726 -9.916 -6.939 1.00 0.00 H new ATOM 0 HA SER B 60 3.509 -9.753 -7.337 1.00 0.00 H new ATOM 0 HB2 SER B 60 2.764 -8.143 -9.197 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.148 -9.783 -9.262 1.00 0.00 H new ATOM 0 HG SER B 60 0.561 -8.045 -7.777 1.00 0.00 H new ATOM 2257 N PHE B 61 2.133 -7.123 -5.951 1.00 0.00 N ATOM 2258 CA PHE B 61 2.435 -5.886 -5.241 1.00 0.00 C ATOM 2259 C PHE B 61 3.321 -6.173 -4.032 1.00 0.00 C ATOM 2260 O PHE B 61 4.343 -5.516 -3.826 1.00 0.00 O ATOM 2261 CB PHE B 61 1.139 -5.200 -4.795 1.00 0.00 C ATOM 2262 CG PHE B 61 1.342 -3.837 -4.191 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.397 -2.712 -4.999 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.472 -3.676 -2.819 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.575 -1.456 -4.453 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.653 -2.422 -2.268 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.704 -1.311 -3.087 1.00 0.00 C ATOM 0 H PHE B 61 1.156 -7.411 -5.897 1.00 0.00 H new ATOM 0 HA PHE B 61 2.970 -5.219 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.474 -5.110 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.635 -5.837 -4.068 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.299 -2.819 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.431 -4.541 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.613 -0.588 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.754 -2.311 -1.199 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.845 -0.330 -2.659 1.00 0.00 H new ATOM 2277 N ALA B 62 2.929 -7.168 -3.243 1.00 0.00 N ATOM 2278 CA ALA B 62 3.676 -7.544 -2.049 1.00 0.00 C ATOM 2279 C ALA B 62 5.087 -8.005 -2.396 1.00 0.00 C ATOM 2280 O ALA B 62 6.056 -7.635 -1.734 1.00 0.00 O ATOM 2281 CB ALA B 62 2.936 -8.633 -1.287 1.00 0.00 C ATOM 0 H ALA B 62 2.095 -7.730 -3.410 1.00 0.00 H new ATOM 0 HA ALA B 62 3.761 -6.661 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.504 -8.905 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.953 -8.267 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.820 -9.509 -1.925 1.00 0.00 H new ATOM 2287 N ARG B 63 5.198 -8.804 -3.447 1.00 0.00 N ATOM 2288 CA ARG B 63 6.489 -9.318 -3.883 1.00 0.00 C ATOM 2289 C ARG B 63 7.356 -8.197 -4.446 1.00 0.00 C ATOM 2290 O ARG B 63 8.574 -8.202 -4.268 1.00 0.00 O ATOM 2291 CB ARG B 63 6.305 -10.432 -4.918 1.00 0.00 C ATOM 2292 CG ARG B 63 6.083 -11.821 -4.316 1.00 0.00 C ATOM 2293 CD ARG B 63 4.984 -11.821 -3.261 1.00 0.00 C ATOM 2294 NE ARG B 63 4.611 -13.170 -2.835 1.00 0.00 N ATOM 2295 CZ ARG B 63 4.602 -13.578 -1.564 1.00 0.00 C ATOM 2296 NH1 ARG B 63 5.099 -12.802 -0.607 1.00 0.00 N ATOM 2297 NH2 ARG B 63 4.126 -14.777 -1.253 1.00 0.00 N ATOM 0 H ARG B 63 4.408 -9.111 -4.015 1.00 0.00 H new ATOM 0 HA ARG B 63 6.999 -9.738 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.455 -10.184 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG B 63 7.185 -10.464 -5.561 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.823 -12.522 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG B 63 7.013 -12.175 -3.870 1.00 0.00 H new ATOM 0 HD2 ARG B 63 5.318 -11.250 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG B 63 4.105 -11.314 -3.658 1.00 0.00 H new ATOM 0 HE ARG B 63 4.341 -13.841 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.490 -11.890 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG B 63 5.090 -13.119 0.363 1.00 0.00 H new ATOM 0 HH21 ARG B 63 3.766 -15.389 -1.986 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.120 -15.087 -0.281 1.00 0.00 H new ATOM 2311 N ALA B 64 6.724 -7.230 -5.109 1.00 0.00 N ATOM 2312 CA ALA B 64 7.437 -6.066 -5.630 1.00 0.00 C ATOM 2313 C ALA B 64 7.998 -5.229 -4.488 1.00 0.00 C ATOM 2314 O ALA B 64 9.104 -4.696 -4.576 1.00 0.00 O ATOM 2315 CB ALA B 64 6.523 -5.222 -6.503 1.00 0.00 C ATOM 0 H ALA B 64 5.722 -7.230 -5.298 1.00 0.00 H new ATOM 0 HA ALA B 64 8.266 -6.421 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.074 -4.361 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.166 -5.820 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.672 -4.879 -5.914 1.00 0.00 H new ATOM 2321 N LEU B 65 7.221 -5.120 -3.417 1.00 0.00 N ATOM 2322 CA LEU B 65 7.665 -4.446 -2.205 1.00 0.00 C ATOM 2323 C LEU B 65 8.917 -5.134 -1.662 1.00 0.00 C ATOM 2324 O LEU B 65 9.899 -4.481 -1.306 1.00 0.00 O ATOM 2325 CB LEU B 65 6.548 -4.474 -1.155 1.00 0.00 C ATOM 2326 CG LEU B 65 6.849 -3.746 0.156 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.934 -2.245 -0.072 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.786 -4.069 1.194 1.00 0.00 C ATOM 0 H LEU B 65 6.273 -5.493 -3.365 1.00 0.00 H new ATOM 0 HA LEU B 65 7.904 -3.408 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.651 -4.037 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.316 -5.514 -0.926 1.00 0.00 H new ATOM 0 HG LEU B 65 7.814 -4.089 0.529 1.00 0.00 H new ATOM 0 HD11 LEU B 65 7.149 -1.745 0.873 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.729 -2.030 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.985 -1.883 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU B 65 6.013 -3.544 2.122 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.810 -3.751 0.826 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.772 -5.143 1.379 1.00 0.00 H new ATOM 2340 N GLN B 66 8.876 -6.461 -1.639 1.00 0.00 N ATOM 2341 CA GLN B 66 9.986 -7.267 -1.144 1.00 0.00 C ATOM 2342 C GLN B 66 11.232 -7.108 -2.019 1.00 0.00 C ATOM 2343 O GLN B 66 12.351 -7.033 -1.509 1.00 0.00 O ATOM 2344 CB GLN B 66 9.576 -8.740 -1.080 1.00 0.00 C ATOM 2345 CG GLN B 66 8.487 -9.027 -0.056 1.00 0.00 C ATOM 2346 CD GLN B 66 7.962 -10.449 -0.138 1.00 0.00 C ATOM 2347 OE1 GLN B 66 6.989 -10.728 -0.842 1.00 0.00 O ATOM 2348 NE2 GLN B 66 8.600 -11.358 0.582 1.00 0.00 N ATOM 0 H GLN B 66 8.077 -7.007 -1.961 1.00 0.00 H new ATOM 0 HA GLN B 66 10.234 -6.915 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.229 -9.055 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.453 -9.342 -0.843 1.00 0.00 H new ATOM 0 HG2 GLN B 66 8.879 -8.847 0.945 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.662 -8.331 -0.205 1.00 0.00 H new ATOM 0 HE21 GLN B 66 9.401 -11.087 1.152 1.00 0.00 H new ATOM 0 HE22 GLN B 66 8.290 -12.330 0.567 1.00 0.00 H new ATOM 2357 N SER B 67 11.040 -7.031 -3.329 1.00 0.00 N ATOM 2358 CA SER B 67 12.160 -6.950 -4.258 1.00 0.00 C ATOM 2359 C SER B 67 12.688 -5.520 -4.386 1.00 0.00 C ATOM 2360 O SER B 67 13.680 -5.275 -5.074 1.00 0.00 O ATOM 2361 CB SER B 67 11.752 -7.495 -5.630 1.00 0.00 C ATOM 2362 OG SER B 67 10.524 -6.933 -6.065 1.00 0.00 O ATOM 0 H SER B 67 10.121 -7.023 -3.772 1.00 0.00 H new ATOM 0 HA SER B 67 12.968 -7.563 -3.858 1.00 0.00 H new ATOM 0 HB2 SER B 67 12.533 -7.275 -6.358 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.660 -8.580 -5.580 1.00 0.00 H new ATOM 0 HG SER B 67 10.318 -6.140 -5.527 1.00 0.00 H new ATOM 2368 N SER B 68 12.030 -4.582 -3.720 1.00 0.00 N ATOM 2369 CA SER B 68 12.470 -3.196 -3.741 1.00 0.00 C ATOM 2370 C SER B 68 13.022 -2.778 -2.379 1.00 0.00 C ATOM 2371 O SER B 68 13.706 -1.762 -2.258 1.00 0.00 O ATOM 2372 CB SER B 68 11.311 -2.285 -4.147 1.00 0.00 C ATOM 2373 OG SER B 68 10.737 -2.712 -5.372 1.00 0.00 O ATOM 0 H SER B 68 11.194 -4.755 -3.162 1.00 0.00 H new ATOM 0 HA SER B 68 13.271 -3.100 -4.474 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.552 -2.286 -3.365 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.667 -1.259 -4.245 1.00 0.00 H new ATOM 0 HG SER B 68 10.201 -3.518 -5.219 1.00 0.00 H new ATOM 2379 N ILE B 69 12.727 -3.569 -1.353 1.00 0.00 N ATOM 2380 CA ILE B 69 13.174 -3.252 -0.005 1.00 0.00 C ATOM 2381 C ILE B 69 14.531 -3.897 0.285 1.00 0.00 C ATOM 2382 O ILE B 69 15.313 -3.388 1.090 1.00 0.00 O ATOM 2383 CB ILE B 69 12.132 -3.683 1.058 1.00 0.00 C ATOM 2384 CG1 ILE B 69 12.486 -3.099 2.427 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.028 -5.200 1.141 1.00 0.00 C ATOM 2386 CD1 ILE B 69 11.418 -3.327 3.474 1.00 0.00 C ATOM 0 H ILE B 69 12.184 -4.429 -1.430 1.00 0.00 H new ATOM 0 HA ILE B 69 13.284 -2.169 0.055 1.00 0.00 H new ATOM 0 HB ILE B 69 11.162 -3.292 0.752 1.00 0.00 H new ATOM 0 HG12 ILE B 69 13.421 -3.541 2.771 1.00 0.00 H new ATOM 0 HG13 ILE B 69 12.659 -2.028 2.323 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.290 -5.473 1.895 1.00 0.00 H new ATOM 0 HG22 ILE B 69 11.723 -5.597 0.173 1.00 0.00 H new ATOM 0 HG23 ILE B 69 12.997 -5.617 1.415 1.00 0.00 H new ATOM 0 HD11 ILE B 69 11.735 -2.887 4.419 1.00 0.00 H new ATOM 0 HD12 ILE B 69 10.487 -2.861 3.151 1.00 0.00 H new ATOM 0 HD13 ILE B 69 11.261 -4.397 3.607 1.00 0.00 H new