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 55 GLN : amide:sc= 1.29 K(o=2.5,f=-0.79) USER MOD Set 1.2: B 59 ASN : amide:sc= 1.23 K(o=2.5,f=-0.79) USER MOD Set 2.1: B 47 THR OG1 : rot -89:sc= 1.23 USER MOD Set 2.2: B 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 39 ASN : amide:sc= 0.0799 K(o=0.17,f=-1.4) USER MOD Set 3.2: B 43 ASN : amide:sc= 0.0946 K(o=0.17,f=-0.67) USER MOD Set 4.1: A 47 THR OG1 : rot -71:sc= 1.31 USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 39 ASN : amide:sc= -0.0196 K(o=-0.035,f=-2.1) USER MOD Set 5.2: A 43 ASN : amide:sc= -0.0155 K(o=-0.035,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.944 K(o=-0.94,f=-5.6!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 1.18 (180deg=1.08) USER MOD Single : A 26 HIS : no HD1:sc= 1.08 K(o=1.1,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 66:sc= 1.11 USER MOD Single : A 35 MET CE :methyl -150:sc= -0.183 (180deg=-0.951) USER MOD Single : A 40 MET CE :methyl 178:sc= -4.38 (180deg=-4.57) USER MOD Single : A 42 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 46 ASN : amide:sc=-0.00856 X(o=-0.0086,f=-0.38) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.041) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 60 SER OG : rot 65:sc= 1.22 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 67 SER OG : rot 85:sc= 1.25 USER MOD Single : A 68 SER OG : rot 71:sc= 1.23 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 21 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.5) USER MOD Single : B 25 LYS NZ :NH3+ 169:sc=-0.000591 (180deg=-0.127) USER MOD Single : B 26 HIS : no HD1:sc= 0.695 K(o=0.69,f=-3.6!) USER MOD Single : B 27 LYS NZ :NH3+ -179:sc= 0.715 (180deg=0.691) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 76:sc= 0.395 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 40 MET CE :methyl 173:sc= -0.0365 (180deg=-0.215) USER MOD Single : B 42 THR OG1 : rot 85:sc= 1.28 USER MOD Single : B 46 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.9!) USER MOD Single : B 53 GLN :FLIP amide:sc= -0.473 F(o=-1.3!,f=-0.47) USER MOD Single : B 60 SER OG : rot 73:sc= 1.2 USER MOD Single : B 66 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.41) USER MOD Single : B 67 SER OG : rot -79:sc= 0.842 USER MOD Single : B 68 SER OG : rot 85:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -10.939 8.457 14.182 1.00 0.00 N ATOM 138 CA ASP A 9 -11.505 7.913 12.951 1.00 0.00 C ATOM 139 C ASP A 9 -12.068 9.028 12.083 1.00 0.00 C ATOM 140 O ASP A 9 -12.054 8.946 10.853 1.00 0.00 O ATOM 141 CB ASP A 9 -12.598 6.894 13.281 1.00 0.00 C ATOM 142 CG ASP A 9 -13.294 6.365 12.043 1.00 0.00 C ATOM 143 OD1 ASP A 9 -12.769 5.422 11.415 1.00 0.00 O ATOM 144 OD2 ASP A 9 -14.373 6.891 11.697 1.00 0.00 O ATOM 0 HA ASP A 9 -10.712 7.412 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.159 6.061 13.831 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.335 7.357 13.938 1.00 0.00 H new ATOM 149 N GLU A 10 -12.538 10.081 12.737 1.00 0.00 N ATOM 150 CA GLU A 10 -13.064 11.247 12.044 1.00 0.00 C ATOM 151 C GLU A 10 -11.996 11.840 11.129 1.00 0.00 C ATOM 152 O GLU A 10 -12.274 12.218 9.987 1.00 0.00 O ATOM 153 CB GLU A 10 -13.529 12.298 13.055 1.00 0.00 C ATOM 154 CG GLU A 10 -14.427 11.740 14.148 1.00 0.00 C ATOM 155 CD GLU A 10 -15.745 11.206 13.622 1.00 0.00 C ATOM 156 OE1 GLU A 10 -15.776 10.067 13.119 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.765 11.916 13.730 1.00 0.00 O ATOM 0 H GLU A 10 -12.565 10.151 13.754 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.917 10.939 11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.655 12.758 13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.063 13.087 12.526 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.900 10.941 14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.626 12.522 14.881 1.00 0.00 H new ATOM 164 N GLN A 11 -10.768 11.891 11.634 1.00 0.00 N ATOM 165 CA GLN A 11 -9.646 12.415 10.869 1.00 0.00 C ATOM 166 C GLN A 11 -9.234 11.428 9.783 1.00 0.00 C ATOM 167 O GLN A 11 -8.794 11.832 8.710 1.00 0.00 O ATOM 168 CB GLN A 11 -8.455 12.719 11.783 1.00 0.00 C ATOM 169 CG GLN A 11 -7.303 13.412 11.072 1.00 0.00 C ATOM 170 CD GLN A 11 -6.126 13.685 11.986 1.00 0.00 C ATOM 171 OE1 GLN A 11 -6.055 14.730 12.631 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.189 12.753 12.040 1.00 0.00 N ATOM 0 H GLN A 11 -10.526 11.574 12.573 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.964 13.345 10.398 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.792 13.347 12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.094 11.787 12.218 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.973 12.794 10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.656 14.353 10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.286 11.900 11.489 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.370 12.887 12.633 1.00 0.00 H new ATOM 181 N VAL A 12 -9.385 10.135 10.062 1.00 0.00 N ATOM 182 CA VAL A 12 -9.082 9.098 9.078 1.00 0.00 C ATOM 183 C VAL A 12 -9.967 9.272 7.847 1.00 0.00 C ATOM 184 O VAL A 12 -9.488 9.225 6.712 1.00 0.00 O ATOM 185 CB VAL A 12 -9.280 7.681 9.663 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.986 6.611 8.621 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.399 7.482 10.888 1.00 0.00 C ATOM 0 H VAL A 12 -9.715 9.781 10.960 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.034 9.205 8.797 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.324 7.585 9.962 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.134 5.625 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.659 6.735 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.954 6.707 8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.551 6.479 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.353 7.606 10.608 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.661 8.218 11.648 1.00 0.00 H new ATOM 197 N GLU A 13 -11.255 9.494 8.089 1.00 0.00 N ATOM 198 CA GLU A 13 -12.214 9.793 7.028 1.00 0.00 C ATOM 199 C GLU A 13 -11.729 10.973 6.184 1.00 0.00 C ATOM 200 O GLU A 13 -11.685 10.899 4.954 1.00 0.00 O ATOM 201 CB GLU A 13 -13.579 10.113 7.653 1.00 0.00 C ATOM 202 CG GLU A 13 -14.653 10.541 6.662 1.00 0.00 C ATOM 203 CD GLU A 13 -15.069 9.432 5.720 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.636 8.427 6.191 1.00 0.00 O ATOM 205 OE2 GLU A 13 -14.844 9.566 4.501 1.00 0.00 O ATOM 0 H GLU A 13 -11.664 9.472 9.023 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.308 8.924 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.931 9.233 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.448 10.906 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.527 10.890 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.285 11.385 6.079 1.00 0.00 H new ATOM 212 N GLN A 14 -11.346 12.052 6.860 1.00 0.00 N ATOM 213 CA GLN A 14 -10.863 13.253 6.187 1.00 0.00 C ATOM 214 C GLN A 14 -9.587 12.971 5.401 1.00 0.00 C ATOM 215 O GLN A 14 -9.455 13.382 4.249 1.00 0.00 O ATOM 216 CB GLN A 14 -10.602 14.362 7.206 1.00 0.00 C ATOM 217 CG GLN A 14 -11.825 14.749 8.020 1.00 0.00 C ATOM 218 CD GLN A 14 -12.881 15.472 7.206 1.00 0.00 C ATOM 219 OE1 GLN A 14 -13.023 15.262 5.999 1.00 0.00 O ATOM 220 NE2 GLN A 14 -13.631 16.338 7.868 1.00 0.00 N ATOM 0 H GLN A 14 -11.361 12.119 7.878 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.635 13.575 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.813 14.040 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.232 15.244 6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.263 13.851 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.515 15.386 8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.482 16.483 8.867 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.358 16.861 7.380 1.00 0.00 H new ATOM 229 N LEU A 15 -8.665 12.257 6.036 1.00 0.00 N ATOM 230 CA LEU A 15 -7.364 11.952 5.449 1.00 0.00 C ATOM 231 C LEU A 15 -7.537 11.174 4.142 1.00 0.00 C ATOM 232 O LEU A 15 -6.905 11.491 3.131 1.00 0.00 O ATOM 233 CB LEU A 15 -6.528 11.148 6.459 1.00 0.00 C ATOM 234 CG LEU A 15 -5.003 11.303 6.362 1.00 0.00 C ATOM 235 CD1 LEU A 15 -4.459 10.670 5.093 1.00 0.00 C ATOM 236 CD2 LEU A 15 -4.611 12.773 6.435 1.00 0.00 C ATOM 0 H LEU A 15 -8.797 11.873 6.972 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.843 12.881 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.837 11.436 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.772 10.092 6.341 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.561 10.779 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.377 10.798 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.699 9.607 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.910 11.150 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.527 12.864 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.075 13.315 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.950 13.193 7.382 1.00 0.00 H new ATOM 248 N LEU A 16 -8.408 10.167 4.168 1.00 0.00 N ATOM 249 CA LEU A 16 -8.704 9.377 2.980 1.00 0.00 C ATOM 250 C LEU A 16 -9.234 10.270 1.865 1.00 0.00 C ATOM 251 O LEU A 16 -8.810 10.167 0.714 1.00 0.00 O ATOM 252 CB LEU A 16 -9.735 8.288 3.300 1.00 0.00 C ATOM 253 CG LEU A 16 -9.281 7.223 4.301 1.00 0.00 C ATOM 254 CD1 LEU A 16 -10.428 6.282 4.633 1.00 0.00 C ATOM 255 CD2 LEU A 16 -8.093 6.444 3.754 1.00 0.00 C ATOM 0 H LEU A 16 -8.921 9.880 5.002 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.779 8.904 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.634 8.767 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.014 7.792 2.370 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.969 7.724 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.088 5.531 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.250 6.850 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.770 5.789 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.785 5.692 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.377 5.954 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.265 7.127 3.567 1.00 0.00 H new ATOM 267 N ALA A 17 -10.150 11.160 2.224 1.00 0.00 N ATOM 268 CA ALA A 17 -10.755 12.073 1.266 1.00 0.00 C ATOM 269 C ALA A 17 -9.708 12.976 0.626 1.00 0.00 C ATOM 270 O ALA A 17 -9.717 13.179 -0.586 1.00 0.00 O ATOM 271 CB ALA A 17 -11.830 12.911 1.940 1.00 0.00 C ATOM 0 H ALA A 17 -10.491 11.268 3.179 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.213 11.476 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.273 13.589 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.602 12.256 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.386 13.489 2.750 1.00 0.00 H new ATOM 277 N GLU A 18 -8.798 13.500 1.440 1.00 0.00 N ATOM 278 CA GLU A 18 -7.775 14.419 0.956 1.00 0.00 C ATOM 279 C GLU A 18 -6.843 13.734 -0.040 1.00 0.00 C ATOM 280 O GLU A 18 -6.551 14.281 -1.103 1.00 0.00 O ATOM 281 CB GLU A 18 -6.972 14.992 2.125 1.00 0.00 C ATOM 282 CG GLU A 18 -7.812 15.810 3.091 1.00 0.00 C ATOM 283 CD GLU A 18 -6.999 16.401 4.222 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.820 15.719 5.252 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.539 17.556 4.088 1.00 0.00 O ATOM 0 H GLU A 18 -8.748 13.303 2.440 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.279 15.237 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.501 14.173 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.170 15.617 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.305 16.615 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.598 15.179 3.506 1.00 0.00 H new ATOM 292 N LEU A 19 -6.395 12.529 0.297 1.00 0.00 N ATOM 293 CA LEU A 19 -5.495 11.778 -0.575 1.00 0.00 C ATOM 294 C LEU A 19 -6.166 11.429 -1.900 1.00 0.00 C ATOM 295 O LEU A 19 -5.566 11.572 -2.965 1.00 0.00 O ATOM 296 CB LEU A 19 -5.002 10.507 0.121 1.00 0.00 C ATOM 297 CG LEU A 19 -3.653 10.638 0.840 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.685 11.761 1.866 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.275 9.322 1.504 1.00 0.00 C ATOM 0 H LEU A 19 -6.639 12.052 1.165 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.637 12.415 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.753 10.194 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.925 9.712 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.896 10.884 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.716 11.830 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.906 12.704 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.456 11.554 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.316 9.432 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.039 9.049 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.199 8.541 0.747 1.00 0.00 H new ATOM 311 N LEU A 20 -7.417 10.983 -1.833 1.00 0.00 N ATOM 312 CA LEU A 20 -8.173 10.657 -3.039 1.00 0.00 C ATOM 313 C LEU A 20 -8.464 11.914 -3.853 1.00 0.00 C ATOM 314 O LEU A 20 -8.504 11.875 -5.083 1.00 0.00 O ATOM 315 CB LEU A 20 -9.485 9.943 -2.684 1.00 0.00 C ATOM 316 CG LEU A 20 -9.400 8.414 -2.563 1.00 0.00 C ATOM 317 CD1 LEU A 20 -8.389 7.993 -1.507 1.00 0.00 C ATOM 318 CD2 LEU A 20 -10.772 7.834 -2.249 1.00 0.00 C ATOM 0 H LEU A 20 -7.927 10.839 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.564 9.985 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.851 10.344 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.228 10.188 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.060 8.020 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.355 6.905 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.403 8.373 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.683 8.399 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.698 6.750 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.135 8.246 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.467 8.090 -3.049 1.00 0.00 H new ATOM 330 N ASN A 21 -8.658 13.027 -3.154 1.00 0.00 N ATOM 331 CA ASN A 21 -8.916 14.313 -3.795 1.00 0.00 C ATOM 332 C ASN A 21 -7.721 14.743 -4.637 1.00 0.00 C ATOM 333 O ASN A 21 -7.856 15.017 -5.827 1.00 0.00 O ATOM 334 CB ASN A 21 -9.228 15.381 -2.740 1.00 0.00 C ATOM 335 CG ASN A 21 -9.462 16.754 -3.340 1.00 0.00 C ATOM 336 OD1 ASN A 21 -8.536 17.553 -3.474 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.702 17.038 -3.696 1.00 0.00 N ATOM 0 H ASN A 21 -8.641 13.065 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.780 14.201 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.112 15.081 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.402 15.436 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.921 17.949 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.441 16.346 -3.568 1.00 0.00 H new ATOM 344 N VAL A 22 -6.545 14.778 -4.016 1.00 0.00 N ATOM 345 CA VAL A 22 -5.324 15.183 -4.708 1.00 0.00 C ATOM 346 C VAL A 22 -5.020 14.239 -5.869 1.00 0.00 C ATOM 347 O VAL A 22 -4.540 14.666 -6.924 1.00 0.00 O ATOM 348 CB VAL A 22 -4.113 15.220 -3.752 1.00 0.00 C ATOM 349 CG1 VAL A 22 -2.859 15.666 -4.486 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.389 16.133 -2.566 1.00 0.00 C ATOM 0 H VAL A 22 -6.411 14.531 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.495 16.189 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.949 14.210 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.019 15.685 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.645 14.970 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.013 16.664 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.522 16.144 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.586 17.144 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.257 15.766 -2.019 1.00 0.00 H new ATOM 360 N LEU A 23 -5.324 12.960 -5.670 1.00 0.00 N ATOM 361 CA LEU A 23 -5.093 11.939 -6.685 1.00 0.00 C ATOM 362 C LEU A 23 -5.851 12.282 -7.968 1.00 0.00 C ATOM 363 O LEU A 23 -5.250 12.399 -9.037 1.00 0.00 O ATOM 364 CB LEU A 23 -5.517 10.561 -6.150 1.00 0.00 C ATOM 365 CG LEU A 23 -4.971 9.338 -6.903 1.00 0.00 C ATOM 366 CD1 LEU A 23 -5.123 8.088 -6.049 1.00 0.00 C ATOM 367 CD2 LEU A 23 -5.683 9.142 -8.237 1.00 0.00 C ATOM 0 H LEU A 23 -5.735 12.604 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.029 11.906 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.205 10.488 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.606 10.511 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.915 9.515 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.733 7.227 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.568 8.213 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.177 7.928 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.272 8.269 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.748 8.993 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.538 10.024 -8.860 1.00 0.00 H new ATOM 379 N GLU A 24 -7.163 12.467 -7.860 1.00 0.00 N ATOM 380 CA GLU A 24 -7.980 12.766 -9.032 1.00 0.00 C ATOM 381 C GLU A 24 -7.801 14.209 -9.492 1.00 0.00 C ATOM 382 O GLU A 24 -8.083 14.531 -10.645 1.00 0.00 O ATOM 383 CB GLU A 24 -9.458 12.471 -8.772 1.00 0.00 C ATOM 384 CG GLU A 24 -9.776 10.984 -8.712 1.00 0.00 C ATOM 385 CD GLU A 24 -11.262 10.702 -8.790 1.00 0.00 C ATOM 386 OE1 GLU A 24 -11.848 10.883 -9.880 1.00 0.00 O ATOM 387 OE2 GLU A 24 -11.851 10.286 -7.772 1.00 0.00 O ATOM 0 H GLU A 24 -7.680 12.416 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.635 12.112 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.754 12.936 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.057 12.932 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.270 10.475 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.379 10.569 -7.786 1.00 0.00 H new ATOM 394 N LYS A 25 -7.328 15.073 -8.597 1.00 0.00 N ATOM 395 CA LYS A 25 -7.042 16.458 -8.958 1.00 0.00 C ATOM 396 C LYS A 25 -5.929 16.507 -10.001 1.00 0.00 C ATOM 397 O LYS A 25 -6.007 17.253 -10.976 1.00 0.00 O ATOM 398 CB LYS A 25 -6.642 17.277 -7.727 1.00 0.00 C ATOM 399 CG LYS A 25 -6.472 18.760 -8.022 1.00 0.00 C ATOM 400 CD LYS A 25 -5.985 19.532 -6.808 1.00 0.00 C ATOM 401 CE LYS A 25 -4.601 19.077 -6.373 1.00 0.00 C ATOM 402 NZ LYS A 25 -4.027 19.970 -5.336 1.00 0.00 N ATOM 0 H LYS A 25 -7.136 14.840 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.949 16.894 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.400 17.152 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.708 16.884 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.763 18.887 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.423 19.174 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.963 20.597 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.688 19.399 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.658 18.060 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.938 19.052 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.406 19.420 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.476 20.724 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.796 20.393 -4.778 1.00 0.00 H new ATOM 416 N HIS A 26 -4.891 15.702 -9.795 1.00 0.00 N ATOM 417 CA HIS A 26 -3.835 15.562 -10.793 1.00 0.00 C ATOM 418 C HIS A 26 -4.291 14.611 -11.887 1.00 0.00 C ATOM 419 O HIS A 26 -3.872 14.725 -13.039 1.00 0.00 O ATOM 420 CB HIS A 26 -2.538 15.036 -10.169 1.00 0.00 C ATOM 421 CG HIS A 26 -1.747 16.067 -9.423 1.00 0.00 C ATOM 422 ND1 HIS A 26 -0.684 16.749 -9.981 1.00 0.00 N ATOM 423 CD2 HIS A 26 -1.848 16.516 -8.149 1.00 0.00 C ATOM 424 CE1 HIS A 26 -0.170 17.569 -9.084 1.00 0.00 C ATOM 425 NE2 HIS A 26 -0.857 17.446 -7.968 1.00 0.00 N ATOM 0 H HIS A 26 -4.758 15.141 -8.954 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.635 16.548 -11.212 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -2.781 14.220 -9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.913 14.617 -10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.573 16.201 -7.414 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.671 18.229 -9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.680 17.961 -7.105 1.00 0.00 H new ATOM 434 N LYS A 27 -5.156 13.679 -11.491 1.00 0.00 N ATOM 435 CA LYS A 27 -5.705 12.658 -12.371 1.00 0.00 C ATOM 436 C LYS A 27 -4.621 11.701 -12.848 1.00 0.00 C ATOM 437 O LYS A 27 -3.886 11.980 -13.793 1.00 0.00 O ATOM 438 CB LYS A 27 -6.462 13.275 -13.555 1.00 0.00 C ATOM 439 CG LYS A 27 -7.085 12.245 -14.492 1.00 0.00 C ATOM 440 CD LYS A 27 -7.839 11.159 -13.729 1.00 0.00 C ATOM 441 CE LYS A 27 -9.019 11.713 -12.942 1.00 0.00 C ATOM 442 NZ LYS A 27 -10.113 12.187 -13.828 1.00 0.00 N ATOM 0 H LYS A 27 -5.499 13.614 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.426 12.083 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.248 13.926 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.777 13.903 -14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.767 12.746 -15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.303 11.786 -15.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.196 10.407 -14.432 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.154 10.657 -13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.403 10.941 -12.275 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.680 12.537 -12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.915 12.508 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.770 12.976 -14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.422 11.409 -14.445 1.00 0.00 H new ATOM 456 N ALA A 28 -4.525 10.574 -12.164 1.00 0.00 N ATOM 457 CA ALA A 28 -3.583 9.535 -12.524 1.00 0.00 C ATOM 458 C ALA A 28 -4.323 8.228 -12.766 1.00 0.00 C ATOM 459 O ALA A 28 -5.261 7.900 -12.038 1.00 0.00 O ATOM 460 CB ALA A 28 -2.543 9.361 -11.428 1.00 0.00 C ATOM 0 H ALA A 28 -5.096 10.356 -11.347 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.070 9.825 -13.441 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.842 8.577 -11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.003 10.297 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.038 9.084 -10.497 1.00 0.00 H new ATOM 466 N PRO A 29 -3.935 7.480 -13.811 1.00 0.00 N ATOM 467 CA PRO A 29 -4.520 6.169 -14.104 1.00 0.00 C ATOM 468 C PRO A 29 -4.332 5.196 -12.943 1.00 0.00 C ATOM 469 O PRO A 29 -3.428 5.373 -12.122 1.00 0.00 O ATOM 470 CB PRO A 29 -3.741 5.689 -15.334 1.00 0.00 C ATOM 471 CG PRO A 29 -3.173 6.926 -15.938 1.00 0.00 C ATOM 472 CD PRO A 29 -2.911 7.861 -14.794 1.00 0.00 C ATOM 0 HA PRO A 29 -5.596 6.227 -14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.954 4.989 -15.054 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.393 5.170 -16.037 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.254 6.708 -16.482 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.869 7.367 -16.651 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.904 7.738 -14.395 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.009 8.904 -15.095 1.00 0.00 H new ATOM 480 N THR A 30 -5.177 4.175 -12.881 1.00 0.00 N ATOM 481 CA THR A 30 -5.109 3.182 -11.815 1.00 0.00 C ATOM 482 C THR A 30 -3.736 2.503 -11.794 1.00 0.00 C ATOM 483 O THR A 30 -3.165 2.267 -10.727 1.00 0.00 O ATOM 484 CB THR A 30 -6.216 2.123 -11.988 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.484 2.779 -12.152 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.279 1.191 -10.785 1.00 0.00 C ATOM 0 H THR A 30 -5.921 4.012 -13.559 1.00 0.00 H new ATOM 0 HA THR A 30 -5.260 3.696 -10.866 1.00 0.00 H new ATOM 0 HB THR A 30 -5.985 1.527 -12.871 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.188 2.107 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.069 0.455 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.323 0.679 -10.671 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.490 1.771 -9.886 1.00 0.00 H new ATOM 494 N ASP A 31 -3.212 2.224 -12.984 1.00 0.00 N ATOM 495 CA ASP A 31 -1.867 1.671 -13.146 1.00 0.00 C ATOM 496 C ASP A 31 -0.839 2.547 -12.431 1.00 0.00 C ATOM 497 O ASP A 31 -0.069 2.077 -11.587 1.00 0.00 O ATOM 498 CB ASP A 31 -1.531 1.582 -14.640 1.00 0.00 C ATOM 499 CG ASP A 31 -0.134 1.056 -14.918 1.00 0.00 C ATOM 500 OD1 ASP A 31 0.833 1.844 -14.830 1.00 0.00 O ATOM 501 OD2 ASP A 31 -0.003 -0.140 -15.254 1.00 0.00 O ATOM 0 H ASP A 31 -3.706 2.374 -13.864 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.836 0.675 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.258 0.934 -15.130 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.633 2.571 -15.087 1.00 0.00 H new ATOM 506 N LEU A 32 -0.863 3.834 -12.753 1.00 0.00 N ATOM 507 CA LEU A 32 0.067 4.790 -12.177 1.00 0.00 C ATOM 508 C LEU A 32 -0.180 4.959 -10.681 1.00 0.00 C ATOM 509 O LEU A 32 0.763 5.058 -9.900 1.00 0.00 O ATOM 510 CB LEU A 32 -0.060 6.140 -12.886 1.00 0.00 C ATOM 511 CG LEU A 32 0.849 7.250 -12.352 1.00 0.00 C ATOM 512 CD1 LEU A 32 2.308 6.835 -12.444 1.00 0.00 C ATOM 513 CD2 LEU A 32 0.614 8.545 -13.115 1.00 0.00 C ATOM 0 H LEU A 32 -1.523 4.240 -13.416 1.00 0.00 H new ATOM 0 HA LEU A 32 1.078 4.407 -12.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.154 5.997 -13.945 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.095 6.474 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 32 0.605 7.419 -11.303 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.939 7.636 -12.060 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.468 5.933 -11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.565 6.638 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.269 9.323 -12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.830 8.389 -14.172 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.425 8.852 -12.999 1.00 0.00 H new ATOM 525 N SER A 33 -1.448 4.975 -10.292 1.00 0.00 N ATOM 526 CA SER A 33 -1.823 5.156 -8.893 1.00 0.00 C ATOM 527 C SER A 33 -1.205 4.069 -8.016 1.00 0.00 C ATOM 528 O SER A 33 -0.666 4.359 -6.947 1.00 0.00 O ATOM 529 CB SER A 33 -3.344 5.147 -8.746 1.00 0.00 C ATOM 530 OG SER A 33 -3.936 6.183 -9.511 1.00 0.00 O ATOM 0 H SER A 33 -2.238 4.864 -10.927 1.00 0.00 H new ATOM 0 HA SER A 33 -1.440 6.122 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.738 4.183 -9.067 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.612 5.267 -7.696 1.00 0.00 H new ATOM 0 HG SER A 33 -3.798 6.005 -10.465 1.00 0.00 H new ATOM 536 N LEU A 34 -1.265 2.824 -8.482 1.00 0.00 N ATOM 537 CA LEU A 34 -0.692 1.706 -7.743 1.00 0.00 C ATOM 538 C LEU A 34 0.822 1.854 -7.648 1.00 0.00 C ATOM 539 O LEU A 34 1.422 1.561 -6.612 1.00 0.00 O ATOM 540 CB LEU A 34 -1.053 0.375 -8.411 1.00 0.00 C ATOM 541 CG LEU A 34 -2.550 0.063 -8.478 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.784 -1.267 -9.176 1.00 0.00 C ATOM 543 CD2 LEU A 34 -3.164 0.049 -7.084 1.00 0.00 C ATOM 0 H LEU A 34 -1.704 2.566 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.109 1.711 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.653 0.376 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.554 -0.430 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.037 0.849 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.853 -1.474 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.386 -1.221 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.281 -2.061 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.228 -0.175 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.674 -0.713 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.030 1.025 -6.618 1.00 0.00 H new ATOM 555 N MET A 35 1.432 2.327 -8.730 1.00 0.00 N ATOM 556 CA MET A 35 2.874 2.550 -8.760 1.00 0.00 C ATOM 557 C MET A 35 3.252 3.643 -7.760 1.00 0.00 C ATOM 558 O MET A 35 4.207 3.493 -6.999 1.00 0.00 O ATOM 559 CB MET A 35 3.323 2.932 -10.179 1.00 0.00 C ATOM 560 CG MET A 35 4.820 2.774 -10.438 1.00 0.00 C ATOM 561 SD MET A 35 5.841 4.029 -9.634 1.00 0.00 S ATOM 562 CE MET A 35 5.244 5.518 -10.435 1.00 0.00 C ATOM 0 H MET A 35 0.951 2.563 -9.598 1.00 0.00 H new ATOM 0 HA MET A 35 3.384 1.629 -8.477 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.777 2.319 -10.896 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.043 3.968 -10.368 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.136 1.789 -10.095 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.998 2.809 -11.513 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.048 6.252 -10.484 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.909 5.279 -11.444 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.411 5.929 -9.864 1.00 0.00 H new ATOM 572 N VAL A 36 2.483 4.731 -7.757 1.00 0.00 N ATOM 573 CA VAL A 36 2.721 5.848 -6.844 1.00 0.00 C ATOM 574 C VAL A 36 2.600 5.404 -5.389 1.00 0.00 C ATOM 575 O VAL A 36 3.465 5.712 -4.568 1.00 0.00 O ATOM 576 CB VAL A 36 1.746 7.024 -7.104 1.00 0.00 C ATOM 577 CG1 VAL A 36 1.946 8.136 -6.080 1.00 0.00 C ATOM 578 CG2 VAL A 36 1.928 7.567 -8.513 1.00 0.00 C ATOM 0 H VAL A 36 1.686 4.863 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 36 3.738 6.193 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 36 0.729 6.646 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.250 8.949 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.763 7.746 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.968 8.509 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.235 8.392 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.951 7.922 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.729 6.776 -9.236 1.00 0.00 H new ATOM 588 N LEU A 37 1.532 4.673 -5.080 1.00 0.00 N ATOM 589 CA LEU A 37 1.306 4.179 -3.726 1.00 0.00 C ATOM 590 C LEU A 37 2.459 3.290 -3.276 1.00 0.00 C ATOM 591 O LEU A 37 3.022 3.490 -2.200 1.00 0.00 O ATOM 592 CB LEU A 37 -0.016 3.406 -3.640 1.00 0.00 C ATOM 593 CG LEU A 37 -1.276 4.238 -3.895 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.518 3.363 -3.816 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.367 5.388 -2.901 1.00 0.00 C ATOM 0 H LEU A 37 0.809 4.410 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 37 1.249 5.041 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.012 2.589 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.091 2.956 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.215 4.657 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.404 3.971 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.456 2.575 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.585 2.915 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.269 5.968 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.405 4.990 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.492 6.030 -3.006 1.00 0.00 H new ATOM 607 N GLY A 38 2.820 2.327 -4.117 1.00 0.00 N ATOM 608 CA GLY A 38 3.920 1.435 -3.800 1.00 0.00 C ATOM 609 C GLY A 38 5.229 2.178 -3.633 1.00 0.00 C ATOM 610 O GLY A 38 5.998 1.902 -2.710 1.00 0.00 O ATOM 0 H GLY A 38 2.369 2.148 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.693 0.892 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.024 0.693 -4.592 1.00 0.00 H new ATOM 614 N ASN A 39 5.465 3.136 -4.521 1.00 0.00 N ATOM 615 CA ASN A 39 6.672 3.958 -4.484 1.00 0.00 C ATOM 616 C ASN A 39 6.731 4.745 -3.173 1.00 0.00 C ATOM 617 O ASN A 39 7.761 4.771 -2.495 1.00 0.00 O ATOM 618 CB ASN A 39 6.675 4.914 -5.684 1.00 0.00 C ATOM 619 CG ASN A 39 8.045 5.488 -6.002 1.00 0.00 C ATOM 620 OD1 ASN A 39 8.890 5.654 -5.127 1.00 0.00 O ATOM 621 ND2 ASN A 39 8.269 5.801 -7.270 1.00 0.00 N ATOM 0 H ASN A 39 4.829 3.366 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 39 7.551 3.315 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.300 4.385 -6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.984 5.734 -5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.168 6.194 -7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.542 5.649 -7.969 1.00 0.00 H new ATOM 628 N MET A 40 5.607 5.358 -2.810 1.00 0.00 N ATOM 629 CA MET A 40 5.513 6.140 -1.582 1.00 0.00 C ATOM 630 C MET A 40 5.799 5.278 -0.359 1.00 0.00 C ATOM 631 O MET A 40 6.628 5.636 0.481 1.00 0.00 O ATOM 632 CB MET A 40 4.125 6.767 -1.455 1.00 0.00 C ATOM 633 CG MET A 40 3.932 7.563 -0.175 1.00 0.00 C ATOM 634 SD MET A 40 2.278 8.260 -0.031 1.00 0.00 S ATOM 635 CE MET A 40 2.224 9.289 -1.495 1.00 0.00 C ATOM 0 H MET A 40 4.744 5.327 -3.353 1.00 0.00 H new ATOM 0 HA MET A 40 6.262 6.930 -1.632 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.951 7.421 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.374 5.978 -1.499 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.125 6.918 0.682 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.665 8.369 -0.139 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.246 9.764 -1.570 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.996 10.056 -1.429 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.397 8.674 -2.378 1.00 0.00 H new ATOM 645 N VAL A 41 5.114 4.142 -0.267 1.00 0.00 N ATOM 646 CA VAL A 41 5.284 3.232 0.863 1.00 0.00 C ATOM 647 C VAL A 41 6.731 2.757 0.958 1.00 0.00 C ATOM 648 O VAL A 41 7.319 2.741 2.042 1.00 0.00 O ATOM 649 CB VAL A 41 4.341 2.010 0.762 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.552 1.059 1.932 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.888 2.458 0.705 1.00 0.00 C ATOM 0 H VAL A 41 4.436 3.829 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 41 5.026 3.787 1.765 1.00 0.00 H new ATOM 0 HB VAL A 41 4.580 1.478 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.877 0.209 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.583 0.705 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.348 1.581 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.240 1.584 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.644 3.018 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.737 3.093 -0.168 1.00 0.00 H new ATOM 661 N THR A 42 7.306 2.398 -0.185 1.00 0.00 N ATOM 662 CA THR A 42 8.693 1.960 -0.241 1.00 0.00 C ATOM 663 C THR A 42 9.626 3.033 0.320 1.00 0.00 C ATOM 664 O THR A 42 10.457 2.754 1.184 1.00 0.00 O ATOM 665 CB THR A 42 9.118 1.621 -1.686 1.00 0.00 C ATOM 666 OG1 THR A 42 8.272 0.593 -2.215 1.00 0.00 O ATOM 667 CG2 THR A 42 10.566 1.162 -1.742 1.00 0.00 C ATOM 0 H THR A 42 6.830 2.402 -1.087 1.00 0.00 H new ATOM 0 HA THR A 42 8.770 1.060 0.369 1.00 0.00 H new ATOM 0 HB THR A 42 9.020 2.526 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.385 0.964 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.835 0.931 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.214 1.955 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.689 0.271 -1.126 1.00 0.00 H new ATOM 675 N ASN A 43 9.474 4.265 -0.159 1.00 0.00 N ATOM 676 CA ASN A 43 10.326 5.364 0.279 1.00 0.00 C ATOM 677 C ASN A 43 10.119 5.666 1.755 1.00 0.00 C ATOM 678 O ASN A 43 11.082 5.851 2.496 1.00 0.00 O ATOM 679 CB ASN A 43 10.061 6.629 -0.543 1.00 0.00 C ATOM 680 CG ASN A 43 10.493 6.485 -1.988 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.408 5.725 -2.303 1.00 0.00 O ATOM 682 ND2 ASN A 43 9.847 7.224 -2.875 1.00 0.00 N ATOM 0 H ASN A 43 8.770 4.526 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 43 11.359 5.051 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.997 6.865 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.589 7.469 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.102 7.176 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.094 7.842 -2.572 1.00 0.00 H new ATOM 689 N LEU A 44 8.860 5.699 2.174 1.00 0.00 N ATOM 690 CA LEU A 44 8.511 6.028 3.551 1.00 0.00 C ATOM 691 C LEU A 44 9.192 5.061 4.519 1.00 0.00 C ATOM 692 O LEU A 44 9.905 5.482 5.430 1.00 0.00 O ATOM 693 CB LEU A 44 6.982 5.991 3.719 1.00 0.00 C ATOM 694 CG LEU A 44 6.411 6.702 4.956 1.00 0.00 C ATOM 695 CD1 LEU A 44 4.920 6.943 4.775 1.00 0.00 C ATOM 696 CD2 LEU A 44 6.654 5.892 6.221 1.00 0.00 C ATOM 0 H LEU A 44 8.058 5.500 1.575 1.00 0.00 H new ATOM 0 HA LEU A 44 8.863 7.034 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.530 6.435 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.667 4.948 3.749 1.00 0.00 H new ATOM 0 HG LEU A 44 6.924 7.658 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.523 7.447 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.756 7.566 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.411 5.988 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.238 6.422 7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.172 4.919 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.726 5.754 6.365 1.00 0.00 H new ATOM 708 N ILE A 45 8.996 3.768 4.294 1.00 0.00 N ATOM 709 CA ILE A 45 9.550 2.744 5.172 1.00 0.00 C ATOM 710 C ILE A 45 11.078 2.695 5.071 1.00 0.00 C ATOM 711 O ILE A 45 11.770 2.448 6.058 1.00 0.00 O ATOM 712 CB ILE A 45 8.958 1.353 4.846 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.435 1.374 5.014 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.574 0.278 5.730 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.769 0.049 4.707 1.00 0.00 C ATOM 0 H ILE A 45 8.456 3.403 3.509 1.00 0.00 H new ATOM 0 HA ILE A 45 9.277 3.010 6.193 1.00 0.00 H new ATOM 0 HB ILE A 45 9.195 1.115 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.195 1.662 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.017 2.140 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.141 -0.691 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.651 0.246 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.372 0.507 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.692 0.142 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.977 -0.232 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.158 -0.718 5.377 1.00 0.00 H new ATOM 727 N ASN A 46 11.597 2.956 3.879 1.00 0.00 N ATOM 728 CA ASN A 46 13.035 2.870 3.633 1.00 0.00 C ATOM 729 C ASN A 46 13.785 4.029 4.291 1.00 0.00 C ATOM 730 O ASN A 46 14.940 3.881 4.694 1.00 0.00 O ATOM 731 CB ASN A 46 13.310 2.857 2.123 1.00 0.00 C ATOM 732 CG ASN A 46 14.744 2.495 1.779 1.00 0.00 C ATOM 733 OD1 ASN A 46 15.082 1.319 1.657 1.00 0.00 O ATOM 734 ND2 ASN A 46 15.589 3.497 1.584 1.00 0.00 N ATOM 0 H ASN A 46 11.046 3.229 3.065 1.00 0.00 H new ATOM 0 HA ASN A 46 13.396 1.942 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.638 2.145 1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.081 3.839 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.556 3.305 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.272 4.460 1.694 1.00 0.00 H new ATOM 741 N THR A 47 13.129 5.176 4.406 1.00 0.00 N ATOM 742 CA THR A 47 13.782 6.369 4.930 1.00 0.00 C ATOM 743 C THR A 47 13.501 6.584 6.420 1.00 0.00 C ATOM 744 O THR A 47 14.431 6.783 7.209 1.00 0.00 O ATOM 745 CB THR A 47 13.360 7.627 4.141 1.00 0.00 C ATOM 746 OG1 THR A 47 11.931 7.732 4.103 1.00 0.00 O ATOM 747 CG2 THR A 47 13.905 7.585 2.720 1.00 0.00 C ATOM 0 H THR A 47 12.151 5.306 4.145 1.00 0.00 H new ATOM 0 HA THR A 47 14.853 6.207 4.809 1.00 0.00 H new ATOM 0 HB THR A 47 13.774 8.498 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.567 7.033 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.594 8.482 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.994 7.539 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.518 6.704 2.208 1.00 0.00 H new ATOM 755 N SER A 48 12.229 6.545 6.804 1.00 0.00 N ATOM 756 CA SER A 48 11.835 6.816 8.182 1.00 0.00 C ATOM 757 C SER A 48 12.230 5.677 9.113 1.00 0.00 C ATOM 758 O SER A 48 12.624 5.904 10.260 1.00 0.00 O ATOM 759 CB SER A 48 10.322 7.040 8.268 1.00 0.00 C ATOM 760 OG SER A 48 9.902 8.104 7.431 1.00 0.00 O ATOM 0 H SER A 48 11.453 6.328 6.179 1.00 0.00 H new ATOM 0 HA SER A 48 12.359 7.717 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.802 6.126 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.044 7.257 9.299 1.00 0.00 H new ATOM 0 HG SER A 48 8.932 8.218 7.509 1.00 0.00 H new ATOM 766 N ILE A 49 12.138 4.456 8.611 1.00 0.00 N ATOM 767 CA ILE A 49 12.325 3.278 9.440 1.00 0.00 C ATOM 768 C ILE A 49 13.703 2.663 9.219 1.00 0.00 C ATOM 769 O ILE A 49 14.214 2.635 8.097 1.00 0.00 O ATOM 770 CB ILE A 49 11.222 2.235 9.158 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.841 2.886 9.311 1.00 0.00 C ATOM 772 CG2 ILE A 49 11.360 1.036 10.090 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.689 1.979 8.938 1.00 0.00 C ATOM 0 H ILE A 49 11.935 4.256 7.632 1.00 0.00 H new ATOM 0 HA ILE A 49 12.255 3.589 10.482 1.00 0.00 H new ATOM 0 HB ILE A 49 11.331 1.876 8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.716 3.210 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.802 3.781 8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.573 0.314 9.873 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.333 0.568 9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.273 1.368 11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.748 2.512 9.073 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.788 1.675 7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.700 1.095 9.576 1.00 0.00 H new ATOM 785 N ALA A 50 14.303 2.191 10.308 1.00 0.00 N ATOM 786 CA ALA A 50 15.626 1.581 10.265 1.00 0.00 C ATOM 787 C ALA A 50 15.638 0.342 9.371 1.00 0.00 C ATOM 788 O ALA A 50 14.700 -0.462 9.392 1.00 0.00 O ATOM 789 CB ALA A 50 16.077 1.218 11.674 1.00 0.00 C ATOM 0 H ALA A 50 13.888 2.221 11.239 1.00 0.00 H new ATOM 0 HA ALA A 50 16.320 2.306 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.067 0.763 11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.117 2.119 12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.371 0.513 12.112 1.00 0.00 H new ATOM 795 N PRO A 51 16.715 0.168 8.582 1.00 0.00 N ATOM 796 CA PRO A 51 16.862 -0.968 7.660 1.00 0.00 C ATOM 797 C PRO A 51 16.775 -2.315 8.369 1.00 0.00 C ATOM 798 O PRO A 51 16.447 -3.331 7.756 1.00 0.00 O ATOM 799 CB PRO A 51 18.263 -0.777 7.069 1.00 0.00 C ATOM 800 CG PRO A 51 18.561 0.671 7.248 1.00 0.00 C ATOM 801 CD PRO A 51 17.874 1.078 8.519 1.00 0.00 C ATOM 0 HA PRO A 51 16.065 -0.982 6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.997 -1.398 7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.289 -1.058 6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.635 0.844 7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.194 1.253 6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.526 0.960 9.385 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.565 2.123 8.493 1.00 0.00 H new ATOM 809 N ALA A 52 17.060 -2.303 9.664 1.00 0.00 N ATOM 810 CA ALA A 52 17.049 -3.511 10.476 1.00 0.00 C ATOM 811 C ALA A 52 15.690 -4.201 10.457 1.00 0.00 C ATOM 812 O ALA A 52 15.608 -5.423 10.349 1.00 0.00 O ATOM 813 CB ALA A 52 17.426 -3.174 11.910 1.00 0.00 C ATOM 0 H ALA A 52 17.305 -1.458 10.180 1.00 0.00 H new ATOM 0 HA ALA A 52 17.779 -4.198 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.416 -4.083 12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.424 -2.736 11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.709 -2.461 12.317 1.00 0.00 H new ATOM 819 N GLN A 53 14.624 -3.418 10.540 1.00 0.00 N ATOM 820 CA GLN A 53 13.297 -3.981 10.752 1.00 0.00 C ATOM 821 C GLN A 53 12.307 -3.572 9.666 1.00 0.00 C ATOM 822 O GLN A 53 11.122 -3.893 9.753 1.00 0.00 O ATOM 823 CB GLN A 53 12.784 -3.551 12.124 1.00 0.00 C ATOM 824 CG GLN A 53 12.752 -2.043 12.311 1.00 0.00 C ATOM 825 CD GLN A 53 12.721 -1.640 13.768 1.00 0.00 C ATOM 826 OE1 GLN A 53 13.765 -1.455 14.389 1.00 0.00 O ATOM 827 NE2 GLN A 53 11.532 -1.508 14.327 1.00 0.00 N ATOM 0 H GLN A 53 14.650 -2.401 10.465 1.00 0.00 H new ATOM 0 HA GLN A 53 13.383 -5.067 10.704 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.780 -3.949 12.269 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.416 -3.992 12.895 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.628 -1.603 11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.876 -1.636 11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.689 -1.671 13.777 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.457 -1.243 15.309 1.00 0.00 H new ATOM 836 N ARG A 54 12.783 -2.886 8.634 1.00 0.00 N ATOM 837 CA ARG A 54 11.886 -2.411 7.588 1.00 0.00 C ATOM 838 C ARG A 54 11.427 -3.558 6.684 1.00 0.00 C ATOM 839 O ARG A 54 10.390 -3.461 6.029 1.00 0.00 O ATOM 840 CB ARG A 54 12.521 -1.276 6.773 1.00 0.00 C ATOM 841 CG ARG A 54 13.753 -1.658 5.970 1.00 0.00 C ATOM 842 CD ARG A 54 14.332 -0.438 5.266 1.00 0.00 C ATOM 843 NE ARG A 54 15.460 -0.774 4.398 1.00 0.00 N ATOM 844 CZ ARG A 54 16.452 0.067 4.104 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.475 1.291 4.621 1.00 0.00 N ATOM 846 NH2 ARG A 54 17.424 -0.313 3.288 1.00 0.00 N ATOM 0 H ARG A 54 13.766 -2.649 8.499 1.00 0.00 H new ATOM 0 HA ARG A 54 11.001 -2.004 8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.771 -0.880 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.789 -0.469 7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.503 -2.094 6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.493 -2.420 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.552 0.040 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.656 0.288 6.012 1.00 0.00 H new ATOM 0 HE ARG A 54 15.490 -1.709 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.730 1.594 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.238 1.928 4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.414 -1.250 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.182 0.331 3.064 1.00 0.00 H new ATOM 860 N GLN A 55 12.178 -4.656 6.678 1.00 0.00 N ATOM 861 CA GLN A 55 11.775 -5.842 5.929 1.00 0.00 C ATOM 862 C GLN A 55 10.693 -6.587 6.699 1.00 0.00 C ATOM 863 O GLN A 55 9.729 -7.084 6.116 1.00 0.00 O ATOM 864 CB GLN A 55 12.979 -6.761 5.659 1.00 0.00 C ATOM 865 CG GLN A 55 12.626 -8.063 4.941 1.00 0.00 C ATOM 866 CD GLN A 55 12.569 -9.260 5.873 1.00 0.00 C ATOM 867 OE1 GLN A 55 13.572 -9.937 6.103 1.00 0.00 O ATOM 868 NE2 GLN A 55 11.389 -9.538 6.399 1.00 0.00 N ATOM 0 H GLN A 55 13.062 -4.749 7.179 1.00 0.00 H new ATOM 0 HA GLN A 55 11.377 -5.529 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.710 -6.217 5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.458 -7.001 6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.661 -7.948 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.363 -8.252 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.583 -8.951 6.183 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.284 -10.339 7.021 1.00 0.00 H new ATOM 877 N ALA A 56 10.861 -6.653 8.015 1.00 0.00 N ATOM 878 CA ALA A 56 9.885 -7.296 8.886 1.00 0.00 C ATOM 879 C ALA A 56 8.539 -6.585 8.802 1.00 0.00 C ATOM 880 O ALA A 56 7.487 -7.225 8.780 1.00 0.00 O ATOM 881 CB ALA A 56 10.387 -7.319 10.321 1.00 0.00 C ATOM 0 H ALA A 56 11.669 -6.267 8.504 1.00 0.00 H new ATOM 0 HA ALA A 56 9.750 -8.324 8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.646 -7.802 10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.324 -7.873 10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.551 -6.298 10.666 1.00 0.00 H new ATOM 887 N ILE A 57 8.583 -5.258 8.740 1.00 0.00 N ATOM 888 CA ILE A 57 7.374 -4.454 8.617 1.00 0.00 C ATOM 889 C ILE A 57 6.685 -4.708 7.279 1.00 0.00 C ATOM 890 O ILE A 57 5.478 -4.936 7.233 1.00 0.00 O ATOM 891 CB ILE A 57 7.679 -2.949 8.770 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.232 -2.677 10.168 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.431 -2.112 8.511 1.00 0.00 C ATOM 894 CD1 ILE A 57 8.625 -1.237 10.400 1.00 0.00 C ATOM 0 H ILE A 57 9.446 -4.716 8.773 1.00 0.00 H new ATOM 0 HA ILE A 57 6.704 -4.753 9.423 1.00 0.00 H new ATOM 0 HB ILE A 57 8.428 -2.665 8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.483 -2.963 10.907 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.102 -3.312 10.334 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.672 -1.055 8.625 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.074 -2.296 7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.654 -2.386 9.225 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.008 -1.123 11.414 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.397 -0.951 9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.753 -0.596 10.267 1.00 0.00 H new ATOM 906 N ALA A 58 7.461 -4.690 6.199 1.00 0.00 N ATOM 907 CA ALA A 58 6.921 -4.932 4.864 1.00 0.00 C ATOM 908 C ALA A 58 6.320 -6.333 4.768 1.00 0.00 C ATOM 909 O ALA A 58 5.300 -6.545 4.114 1.00 0.00 O ATOM 910 CB ALA A 58 8.004 -4.749 3.808 1.00 0.00 C ATOM 0 H ALA A 58 8.465 -4.511 6.222 1.00 0.00 H new ATOM 0 HA ALA A 58 6.130 -4.205 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.583 -4.933 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.389 -3.730 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.816 -5.452 3.994 1.00 0.00 H new ATOM 916 N ASN A 59 6.959 -7.281 5.438 1.00 0.00 N ATOM 917 CA ASN A 59 6.492 -8.661 5.454 1.00 0.00 C ATOM 918 C ASN A 59 5.216 -8.786 6.289 1.00 0.00 C ATOM 919 O ASN A 59 4.288 -9.510 5.927 1.00 0.00 O ATOM 920 CB ASN A 59 7.593 -9.569 6.009 1.00 0.00 C ATOM 921 CG ASN A 59 7.250 -11.043 5.919 1.00 0.00 C ATOM 922 OD1 ASN A 59 6.497 -11.470 5.046 1.00 0.00 O ATOM 923 ND2 ASN A 59 7.828 -11.833 6.807 1.00 0.00 N ATOM 0 H ASN A 59 7.807 -7.119 5.981 1.00 0.00 H new ATOM 0 HA ASN A 59 6.259 -8.970 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.518 -9.383 5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.780 -9.308 7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.656 -12.838 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.446 -11.438 7.515 1.00 0.00 H new ATOM 930 N SER A 60 5.166 -8.059 7.400 1.00 0.00 N ATOM 931 CA SER A 60 3.969 -8.021 8.233 1.00 0.00 C ATOM 932 C SER A 60 2.821 -7.354 7.477 1.00 0.00 C ATOM 933 O SER A 60 1.662 -7.758 7.598 1.00 0.00 O ATOM 934 CB SER A 60 4.250 -7.276 9.541 1.00 0.00 C ATOM 935 OG SER A 60 5.307 -7.893 10.263 1.00 0.00 O ATOM 0 H SER A 60 5.939 -7.489 7.744 1.00 0.00 H new ATOM 0 HA SER A 60 3.681 -9.044 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.509 -6.240 9.325 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.349 -7.258 10.154 1.00 0.00 H new ATOM 0 HG SER A 60 6.141 -7.813 9.754 1.00 0.00 H new ATOM 941 N PHE A 61 3.157 -6.337 6.686 1.00 0.00 N ATOM 942 CA PHE A 61 2.182 -5.658 5.843 1.00 0.00 C ATOM 943 C PHE A 61 1.579 -6.639 4.843 1.00 0.00 C ATOM 944 O PHE A 61 0.370 -6.632 4.603 1.00 0.00 O ATOM 945 CB PHE A 61 2.840 -4.484 5.107 1.00 0.00 C ATOM 946 CG PHE A 61 1.909 -3.737 4.191 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.049 -2.775 4.693 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.892 -4.003 2.830 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.191 -2.088 3.854 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.037 -3.320 1.987 1.00 0.00 C ATOM 951 CZ PHE A 61 0.185 -2.362 2.500 1.00 0.00 C ATOM 0 H PHE A 61 4.104 -5.965 6.613 1.00 0.00 H new ATOM 0 HA PHE A 61 1.384 -5.268 6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.245 -3.789 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.682 -4.859 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.048 -2.559 5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.555 -4.753 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.474 -1.338 4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.035 -3.535 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.485 -1.827 1.843 1.00 0.00 H new ATOM 961 N ALA A 62 2.431 -7.483 4.272 1.00 0.00 N ATOM 962 CA ALA A 62 1.988 -8.515 3.344 1.00 0.00 C ATOM 963 C ALA A 62 0.950 -9.416 3.999 1.00 0.00 C ATOM 964 O ALA A 62 -0.109 -9.681 3.427 1.00 0.00 O ATOM 965 CB ALA A 62 3.174 -9.335 2.864 1.00 0.00 C ATOM 0 H ALA A 62 3.437 -7.472 4.437 1.00 0.00 H new ATOM 0 HA ALA A 62 1.527 -8.031 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.829 -10.103 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.886 -8.683 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.659 -9.808 3.718 1.00 0.00 H new ATOM 971 N ARG A 63 1.260 -9.869 5.210 1.00 0.00 N ATOM 972 CA ARG A 63 0.343 -10.693 5.990 1.00 0.00 C ATOM 973 C ARG A 63 -0.988 -9.981 6.199 1.00 0.00 C ATOM 974 O ARG A 63 -2.051 -10.558 5.970 1.00 0.00 O ATOM 975 CB ARG A 63 0.956 -11.037 7.348 1.00 0.00 C ATOM 976 CG ARG A 63 2.122 -12.003 7.271 1.00 0.00 C ATOM 977 CD ARG A 63 2.754 -12.208 8.637 1.00 0.00 C ATOM 978 NE ARG A 63 3.674 -13.343 8.651 1.00 0.00 N ATOM 979 CZ ARG A 63 4.554 -13.577 9.623 1.00 0.00 C ATOM 980 NH1 ARG A 63 4.712 -12.698 10.608 1.00 0.00 N ATOM 981 NH2 ARG A 63 5.283 -14.685 9.604 1.00 0.00 N ATOM 0 H ARG A 63 2.147 -9.677 5.675 1.00 0.00 H new ATOM 0 HA ARG A 63 0.165 -11.612 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.291 -10.117 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.183 -11.466 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.780 -12.960 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.869 -11.621 6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.289 -11.304 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.971 -12.367 9.378 1.00 0.00 H new ATOM 0 HE ARG A 63 3.640 -13.996 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.158 -11.841 10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.387 -12.880 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.169 -15.357 8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.957 -14.865 10.348 1.00 0.00 H new ATOM 995 N ALA A 64 -0.923 -8.724 6.620 1.00 0.00 N ATOM 996 CA ALA A 64 -2.120 -7.934 6.878 1.00 0.00 C ATOM 997 C ALA A 64 -2.961 -7.780 5.613 1.00 0.00 C ATOM 998 O ALA A 64 -4.185 -7.909 5.652 1.00 0.00 O ATOM 999 CB ALA A 64 -1.744 -6.568 7.435 1.00 0.00 C ATOM 0 H ALA A 64 -0.048 -8.228 6.791 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.720 -8.462 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.649 -5.990 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.194 -6.694 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.119 -6.041 6.714 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.295 -7.520 4.495 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.970 -7.344 3.215 1.00 0.00 C ATOM 1007 C LEU A 65 -3.678 -8.631 2.797 1.00 0.00 C ATOM 1008 O LEU A 65 -4.850 -8.615 2.416 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.961 -6.923 2.142 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.564 -6.549 0.786 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.460 -5.327 0.914 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.464 -6.297 -0.231 1.00 0.00 C ATOM 0 H LEU A 65 -1.280 -7.426 4.449 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.719 -6.560 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.393 -6.071 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.253 -7.738 1.993 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.173 -7.384 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.878 -5.079 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.269 -5.541 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.876 -4.484 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.909 -6.032 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.831 -5.480 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.862 -7.198 -0.347 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.967 -9.749 2.905 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.505 -11.050 2.510 1.00 0.00 C ATOM 1026 C GLN A 66 -4.625 -11.495 3.446 1.00 0.00 C ATOM 1027 O GLN A 66 -5.448 -12.333 3.084 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.394 -12.100 2.491 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.320 -11.830 1.450 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.178 -12.822 1.518 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -0.364 -13.980 1.897 1.00 0.00 O ATOM 1032 NE2 GLN A 66 1.012 -12.374 1.149 1.00 0.00 N ATOM 0 H GLN A 66 -2.013 -9.782 3.264 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.920 -10.948 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.930 -12.144 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.834 -13.079 2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.766 -11.864 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.929 -10.822 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.120 -11.407 0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.820 -12.996 1.172 1.00 0.00 H new ATOM 1041 N SER A 67 -4.651 -10.931 4.646 1.00 0.00 N ATOM 1042 CA SER A 67 -5.692 -11.247 5.612 1.00 0.00 C ATOM 1043 C SER A 67 -6.880 -10.300 5.457 1.00 0.00 C ATOM 1044 O SER A 67 -7.963 -10.551 5.986 1.00 0.00 O ATOM 1045 CB SER A 67 -5.139 -11.165 7.037 1.00 0.00 C ATOM 1046 OG SER A 67 -3.999 -11.996 7.190 1.00 0.00 O ATOM 0 H SER A 67 -3.963 -10.253 4.973 1.00 0.00 H new ATOM 0 HA SER A 67 -6.033 -12.265 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.875 -10.133 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.909 -11.465 7.747 1.00 0.00 H new ATOM 0 HG SER A 67 -3.200 -11.513 6.891 1.00 0.00 H new ATOM 1052 N SER A 68 -6.674 -9.213 4.726 1.00 0.00 N ATOM 1053 CA SER A 68 -7.722 -8.227 4.517 1.00 0.00 C ATOM 1054 C SER A 68 -8.483 -8.507 3.226 1.00 0.00 C ATOM 1055 O SER A 68 -9.715 -8.496 3.208 1.00 0.00 O ATOM 1056 CB SER A 68 -7.123 -6.821 4.491 1.00 0.00 C ATOM 1057 OG SER A 68 -6.505 -6.512 5.730 1.00 0.00 O ATOM 0 H SER A 68 -5.790 -8.993 4.268 1.00 0.00 H new ATOM 0 HA SER A 68 -8.428 -8.294 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.391 -6.748 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.905 -6.092 4.278 1.00 0.00 H new ATOM 0 HG SER A 68 -5.686 -7.042 5.828 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.753 -8.761 2.151 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.373 -9.057 0.872 1.00 0.00 C ATOM 1065 C ILE A 69 -8.720 -10.539 0.787 1.00 0.00 C ATOM 1066 O ILE A 69 -7.895 -11.366 0.403 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.464 -8.654 -0.312 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.136 -7.157 -0.237 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -8.136 -8.986 -1.639 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.235 -6.669 -1.351 1.00 0.00 C ATOM 0 H ILE A 69 -6.733 -8.768 2.140 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.287 -8.468 0.803 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.535 -9.221 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.066 -6.590 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.659 -6.947 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.482 -8.695 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.330 -10.057 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.078 -8.443 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.050 -5.602 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.288 -7.208 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.717 -6.845 -2.313 1.00 0.00 H new ATOM 1442 N SER B 8 4.837 10.948 -16.676 1.00 0.00 N ATOM 1443 CA SER B 8 5.457 12.252 -16.527 1.00 0.00 C ATOM 1444 C SER B 8 6.013 12.422 -15.117 1.00 0.00 C ATOM 1445 O SER B 8 5.287 12.256 -14.134 1.00 0.00 O ATOM 1446 CB SER B 8 4.440 13.351 -16.831 1.00 0.00 C ATOM 1447 OG SER B 8 5.051 14.629 -16.833 1.00 0.00 O ATOM 0 HA SER B 8 6.283 12.329 -17.234 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.978 13.164 -17.801 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.643 13.328 -16.088 1.00 0.00 H new ATOM 0 HG SER B 8 4.378 15.313 -17.032 1.00 0.00 H new ATOM 1453 N ASP B 9 7.299 12.750 -15.031 1.00 0.00 N ATOM 1454 CA ASP B 9 7.974 12.934 -13.747 1.00 0.00 C ATOM 1455 C ASP B 9 7.247 13.956 -12.877 1.00 0.00 C ATOM 1456 O ASP B 9 6.871 13.658 -11.745 1.00 0.00 O ATOM 1457 CB ASP B 9 9.422 13.389 -13.957 1.00 0.00 C ATOM 1458 CG ASP B 9 10.286 12.335 -14.619 1.00 0.00 C ATOM 1459 OD1 ASP B 9 10.811 11.455 -13.905 1.00 0.00 O ATOM 1460 OD2 ASP B 9 10.452 12.385 -15.858 1.00 0.00 O ATOM 0 H ASP B 9 7.900 12.895 -15.842 1.00 0.00 H new ATOM 0 HA ASP B 9 7.966 11.971 -13.237 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.428 14.292 -14.568 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.857 13.654 -12.993 1.00 0.00 H new ATOM 1465 N GLU B 10 7.037 15.148 -13.428 1.00 0.00 N ATOM 1466 CA GLU B 10 6.411 16.247 -12.693 1.00 0.00 C ATOM 1467 C GLU B 10 5.032 15.858 -12.169 1.00 0.00 C ATOM 1468 O GLU B 10 4.659 16.214 -11.056 1.00 0.00 O ATOM 1469 CB GLU B 10 6.293 17.481 -13.587 1.00 0.00 C ATOM 1470 CG GLU B 10 7.632 18.086 -13.976 1.00 0.00 C ATOM 1471 CD GLU B 10 8.330 18.761 -12.813 1.00 0.00 C ATOM 1472 OE1 GLU B 10 8.828 18.056 -11.914 1.00 0.00 O ATOM 1473 OE2 GLU B 10 8.392 20.008 -12.800 1.00 0.00 O ATOM 0 H GLU B 10 7.293 15.380 -14.388 1.00 0.00 H new ATOM 0 HA GLU B 10 7.047 16.476 -11.838 1.00 0.00 H new ATOM 0 HB2 GLU B 10 5.750 17.212 -14.493 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.699 18.236 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.277 17.304 -14.376 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.479 18.813 -14.774 1.00 0.00 H new ATOM 1480 N GLN B 11 4.279 15.124 -12.971 1.00 0.00 N ATOM 1481 CA GLN B 11 2.939 14.712 -12.578 1.00 0.00 C ATOM 1482 C GLN B 11 2.990 13.703 -11.435 1.00 0.00 C ATOM 1483 O GLN B 11 2.310 13.868 -10.423 1.00 0.00 O ATOM 1484 CB GLN B 11 2.188 14.129 -13.776 1.00 0.00 C ATOM 1485 CG GLN B 11 0.860 13.491 -13.411 1.00 0.00 C ATOM 1486 CD GLN B 11 0.016 13.187 -14.628 1.00 0.00 C ATOM 1487 OE1 GLN B 11 0.128 12.118 -15.229 1.00 0.00 O ATOM 1488 NE2 GLN B 11 -0.835 14.128 -14.998 1.00 0.00 N ATOM 0 H GLN B 11 4.569 14.802 -13.894 1.00 0.00 H new ATOM 0 HA GLN B 11 2.402 15.593 -12.226 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.013 14.921 -14.504 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.818 13.384 -14.261 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.042 12.569 -12.858 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.310 14.157 -12.747 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.894 14.999 -14.470 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -1.433 13.984 -15.812 1.00 0.00 H new ATOM 1497 N VAL B 12 3.816 12.677 -11.592 1.00 0.00 N ATOM 1498 CA VAL B 12 3.894 11.600 -10.613 1.00 0.00 C ATOM 1499 C VAL B 12 4.462 12.090 -9.282 1.00 0.00 C ATOM 1500 O VAL B 12 3.856 11.893 -8.225 1.00 0.00 O ATOM 1501 CB VAL B 12 4.759 10.432 -11.135 1.00 0.00 C ATOM 1502 CG1 VAL B 12 4.864 9.326 -10.095 1.00 0.00 C ATOM 1503 CG2 VAL B 12 4.189 9.888 -12.437 1.00 0.00 C ATOM 0 H VAL B 12 4.443 12.568 -12.389 1.00 0.00 H new ATOM 0 HA VAL B 12 2.875 11.248 -10.452 1.00 0.00 H new ATOM 0 HB VAL B 12 5.762 10.812 -11.327 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.478 8.515 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.321 9.722 -9.188 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.868 8.948 -9.864 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.811 9.066 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.174 9.529 -12.268 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.174 10.680 -13.186 1.00 0.00 H new ATOM 1513 N GLU B 13 5.611 12.750 -9.342 1.00 0.00 N ATOM 1514 CA GLU B 13 6.330 13.141 -8.137 1.00 0.00 C ATOM 1515 C GLU B 13 5.593 14.229 -7.357 1.00 0.00 C ATOM 1516 O GLU B 13 5.538 14.177 -6.131 1.00 0.00 O ATOM 1517 CB GLU B 13 7.752 13.585 -8.490 1.00 0.00 C ATOM 1518 CG GLU B 13 8.606 12.452 -9.045 1.00 0.00 C ATOM 1519 CD GLU B 13 9.991 12.899 -9.469 1.00 0.00 C ATOM 1520 OE1 GLU B 13 10.858 13.094 -8.589 1.00 0.00 O ATOM 1521 OE2 GLU B 13 10.231 13.036 -10.685 1.00 0.00 O ATOM 0 H GLU B 13 6.065 13.026 -10.213 1.00 0.00 H new ATOM 0 HA GLU B 13 6.386 12.269 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.704 14.390 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.232 13.992 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.699 11.672 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.097 12.008 -9.900 1.00 0.00 H new ATOM 1528 N GLN B 14 5.007 15.196 -8.058 1.00 0.00 N ATOM 1529 CA GLN B 14 4.269 16.270 -7.394 1.00 0.00 C ATOM 1530 C GLN B 14 2.961 15.755 -6.799 1.00 0.00 C ATOM 1531 O GLN B 14 2.496 16.258 -5.775 1.00 0.00 O ATOM 1532 CB GLN B 14 4.001 17.426 -8.355 1.00 0.00 C ATOM 1533 CG GLN B 14 5.240 18.252 -8.663 1.00 0.00 C ATOM 1534 CD GLN B 14 5.011 19.258 -9.774 1.00 0.00 C ATOM 1535 OE1 GLN B 14 3.892 19.728 -9.981 1.00 0.00 O ATOM 1536 NE2 GLN B 14 6.068 19.601 -10.488 1.00 0.00 N ATOM 0 H GLN B 14 5.027 15.260 -9.076 1.00 0.00 H new ATOM 0 HA GLN B 14 4.890 16.640 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN B 14 3.597 17.029 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN B 14 3.237 18.075 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN B 14 5.555 18.778 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN B 14 6.055 17.586 -8.944 1.00 0.00 H new ATOM 0 HE21 GLN B 14 6.978 19.188 -10.283 1.00 0.00 H new ATOM 0 HE22 GLN B 14 5.975 20.279 -11.244 1.00 0.00 H new ATOM 1545 N LEU B 15 2.372 14.748 -7.436 1.00 0.00 N ATOM 1546 CA LEU B 15 1.181 14.100 -6.896 1.00 0.00 C ATOM 1547 C LEU B 15 1.545 13.408 -5.586 1.00 0.00 C ATOM 1548 O LEU B 15 0.900 13.615 -4.556 1.00 0.00 O ATOM 1549 CB LEU B 15 0.620 13.089 -7.914 1.00 0.00 C ATOM 1550 CG LEU B 15 -0.790 12.538 -7.633 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -1.369 11.914 -8.893 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.772 11.503 -6.517 1.00 0.00 C ATOM 0 H LEU B 15 2.698 14.364 -8.323 1.00 0.00 H new ATOM 0 HA LEU B 15 0.409 14.845 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.611 13.563 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.309 12.247 -7.973 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.414 13.374 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.366 11.528 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.430 12.668 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.726 11.098 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.784 11.135 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.127 10.672 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.392 11.960 -5.603 1.00 0.00 H new ATOM 1564 N LEU B 16 2.602 12.608 -5.638 1.00 0.00 N ATOM 1565 CA LEU B 16 3.094 11.892 -4.470 1.00 0.00 C ATOM 1566 C LEU B 16 3.497 12.880 -3.376 1.00 0.00 C ATOM 1567 O LEU B 16 3.244 12.653 -2.190 1.00 0.00 O ATOM 1568 CB LEU B 16 4.281 11.005 -4.886 1.00 0.00 C ATOM 1569 CG LEU B 16 4.820 10.036 -3.824 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.463 8.831 -4.494 1.00 0.00 C ATOM 1571 CD2 LEU B 16 5.839 10.725 -2.928 1.00 0.00 C ATOM 0 H LEU B 16 3.140 12.438 -6.488 1.00 0.00 H new ATOM 0 HA LEU B 16 2.306 11.256 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU B 16 3.982 10.423 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.098 11.654 -5.201 1.00 0.00 H new ATOM 0 HG LEU B 16 3.982 9.706 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.842 8.150 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU B 16 4.722 8.316 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.287 9.163 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU B 16 6.206 10.018 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU B 16 6.673 11.081 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU B 16 5.369 11.570 -2.425 1.00 0.00 H new ATOM 1583 N ALA B 17 4.101 13.989 -3.790 1.00 0.00 N ATOM 1584 CA ALA B 17 4.548 15.020 -2.864 1.00 0.00 C ATOM 1585 C ALA B 17 3.381 15.632 -2.099 1.00 0.00 C ATOM 1586 O ALA B 17 3.486 15.873 -0.902 1.00 0.00 O ATOM 1587 CB ALA B 17 5.320 16.103 -3.603 1.00 0.00 C ATOM 0 H ALA B 17 4.293 14.196 -4.770 1.00 0.00 H new ATOM 0 HA ALA B 17 5.210 14.546 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.646 16.865 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.191 15.662 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.677 16.559 -4.356 1.00 0.00 H new ATOM 1593 N GLU B 18 2.267 15.872 -2.784 1.00 0.00 N ATOM 1594 CA GLU B 18 1.100 16.477 -2.145 1.00 0.00 C ATOM 1595 C GLU B 18 0.436 15.527 -1.156 1.00 0.00 C ATOM 1596 O GLU B 18 -0.124 15.966 -0.155 1.00 0.00 O ATOM 1597 CB GLU B 18 0.088 16.957 -3.179 1.00 0.00 C ATOM 1598 CG GLU B 18 0.407 18.335 -3.728 1.00 0.00 C ATOM 1599 CD GLU B 18 -0.630 18.820 -4.714 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -1.780 19.072 -4.304 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -0.300 18.945 -5.909 1.00 0.00 O ATOM 0 H GLU B 18 2.146 15.659 -3.774 1.00 0.00 H new ATOM 0 HA GLU B 18 1.460 17.341 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.052 16.244 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.904 16.973 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.478 19.044 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.383 18.312 -4.214 1.00 0.00 H new ATOM 1608 N LEU B 19 0.499 14.231 -1.421 1.00 0.00 N ATOM 1609 CA LEU B 19 -0.027 13.256 -0.471 1.00 0.00 C ATOM 1610 C LEU B 19 0.814 13.265 0.803 1.00 0.00 C ATOM 1611 O LEU B 19 0.281 13.210 1.911 1.00 0.00 O ATOM 1612 CB LEU B 19 -0.081 11.853 -1.084 1.00 0.00 C ATOM 1613 CG LEU B 19 -1.383 11.509 -1.823 1.00 0.00 C ATOM 1614 CD1 LEU B 19 -1.639 12.475 -2.968 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.339 10.080 -2.337 1.00 0.00 C ATOM 0 H LEU B 19 0.901 13.832 -2.269 1.00 0.00 H new ATOM 0 HA LEU B 19 -1.049 13.538 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.751 11.746 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.071 11.122 -0.290 1.00 0.00 H new ATOM 0 HG LEU B 19 -2.205 11.603 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -2.567 12.205 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.720 13.489 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.814 12.424 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.269 9.852 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -0.501 9.966 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.216 9.395 -1.498 1.00 0.00 H new ATOM 1627 N LEU B 20 2.130 13.365 0.639 1.00 0.00 N ATOM 1628 CA LEU B 20 3.030 13.518 1.777 1.00 0.00 C ATOM 1629 C LEU B 20 2.832 14.888 2.418 1.00 0.00 C ATOM 1630 O LEU B 20 3.002 15.056 3.625 1.00 0.00 O ATOM 1631 CB LEU B 20 4.491 13.355 1.343 1.00 0.00 C ATOM 1632 CG LEU B 20 4.871 11.969 0.817 1.00 0.00 C ATOM 1633 CD1 LEU B 20 6.338 11.939 0.417 1.00 0.00 C ATOM 1634 CD2 LEU B 20 4.585 10.905 1.866 1.00 0.00 C ATOM 0 H LEU B 20 2.596 13.343 -0.268 1.00 0.00 H new ATOM 0 HA LEU B 20 2.796 12.741 2.505 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.706 14.090 0.567 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.133 13.591 2.192 1.00 0.00 H new ATOM 0 HG LEU B 20 4.266 11.756 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU B 20 6.593 10.947 0.045 1.00 0.00 H new ATOM 0 HD12 LEU B 20 6.517 12.677 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU B 20 6.956 12.172 1.284 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.861 9.926 1.475 1.00 0.00 H new ATOM 0 HD22 LEU B 20 5.166 11.114 2.764 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.523 10.912 2.111 1.00 0.00 H new ATOM 1646 N ASN B 21 2.480 15.865 1.591 1.00 0.00 N ATOM 1647 CA ASN B 21 2.185 17.215 2.056 1.00 0.00 C ATOM 1648 C ASN B 21 1.016 17.200 3.028 1.00 0.00 C ATOM 1649 O ASN B 21 1.079 17.817 4.085 1.00 0.00 O ATOM 1650 CB ASN B 21 1.878 18.133 0.866 1.00 0.00 C ATOM 1651 CG ASN B 21 1.457 19.527 1.285 1.00 0.00 C ATOM 1652 OD1 ASN B 21 0.274 19.794 1.491 1.00 0.00 O ATOM 1653 ND2 ASN B 21 2.419 20.428 1.400 1.00 0.00 N ATOM 0 H ASN B 21 2.391 15.745 0.582 1.00 0.00 H new ATOM 0 HA ASN B 21 3.062 17.601 2.577 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.761 18.202 0.231 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.086 17.686 0.264 1.00 0.00 H new ATOM 0 HD21 ASN B 21 2.192 21.385 1.669 1.00 0.00 H new ATOM 0 HD22 ASN B 21 3.388 20.165 1.220 1.00 0.00 H new ATOM 1660 N VAL B 22 -0.042 16.479 2.675 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.199 16.336 3.552 1.00 0.00 C ATOM 1662 C VAL B 22 -0.799 15.663 4.865 1.00 0.00 C ATOM 1663 O VAL B 22 -1.207 16.092 5.950 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.321 15.517 2.876 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.500 15.329 3.816 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.773 16.187 1.587 1.00 0.00 C ATOM 0 H VAL B 22 -0.123 15.984 1.787 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.576 17.338 3.758 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.918 14.534 2.633 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.276 14.749 3.315 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.171 14.800 4.710 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.900 16.303 4.097 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.563 15.594 1.127 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.150 17.185 1.809 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.929 16.262 0.901 1.00 0.00 H new ATOM 1676 N LEU B 23 0.024 14.622 4.755 1.00 0.00 N ATOM 1677 CA LEU B 23 0.486 13.872 5.918 1.00 0.00 C ATOM 1678 C LEU B 23 1.327 14.744 6.846 1.00 0.00 C ATOM 1679 O LEU B 23 1.335 14.539 8.053 1.00 0.00 O ATOM 1680 CB LEU B 23 1.299 12.649 5.479 1.00 0.00 C ATOM 1681 CG LEU B 23 0.513 11.581 4.717 1.00 0.00 C ATOM 1682 CD1 LEU B 23 1.434 10.451 4.281 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -0.624 11.043 5.573 1.00 0.00 C ATOM 0 H LEU B 23 0.386 14.278 3.865 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.396 13.540 6.466 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.123 12.987 4.851 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.740 12.190 6.364 1.00 0.00 H new ATOM 0 HG LEU B 23 0.085 12.039 3.825 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.858 9.700 3.740 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.214 10.848 3.631 1.00 0.00 H new ATOM 0 HD13 LEU B 23 1.891 9.995 5.159 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -1.172 10.284 5.015 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.217 10.601 6.482 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.298 11.858 5.836 1.00 0.00 H new ATOM 1695 N GLU B 24 2.030 15.716 6.277 1.00 0.00 N ATOM 1696 CA GLU B 24 2.850 16.634 7.060 1.00 0.00 C ATOM 1697 C GLU B 24 2.006 17.798 7.581 1.00 0.00 C ATOM 1698 O GLU B 24 2.134 18.196 8.738 1.00 0.00 O ATOM 1699 CB GLU B 24 4.021 17.142 6.211 1.00 0.00 C ATOM 1700 CG GLU B 24 4.930 18.137 6.920 1.00 0.00 C ATOM 1701 CD GLU B 24 5.417 17.647 8.269 1.00 0.00 C ATOM 1702 OE1 GLU B 24 5.934 16.517 8.355 1.00 0.00 O ATOM 1703 OE2 GLU B 24 5.306 18.406 9.252 1.00 0.00 O ATOM 0 H GLU B 24 2.049 15.890 5.272 1.00 0.00 H new ATOM 0 HA GLU B 24 3.252 16.102 7.922 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.618 16.288 5.890 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.624 17.610 5.310 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.791 18.349 6.286 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.394 19.077 7.054 1.00 0.00 H new ATOM 1710 N LYS B 25 1.133 18.314 6.718 1.00 0.00 N ATOM 1711 CA LYS B 25 0.233 19.414 7.064 1.00 0.00 C ATOM 1712 C LYS B 25 -0.563 19.084 8.318 1.00 0.00 C ATOM 1713 O LYS B 25 -0.566 19.838 9.293 1.00 0.00 O ATOM 1714 CB LYS B 25 -0.741 19.663 5.912 1.00 0.00 C ATOM 1715 CG LYS B 25 -1.522 20.961 6.032 1.00 0.00 C ATOM 1716 CD LYS B 25 -0.834 22.090 5.287 1.00 0.00 C ATOM 1717 CE LYS B 25 -0.779 21.807 3.792 1.00 0.00 C ATOM 1718 NZ LYS B 25 -2.130 21.799 3.168 1.00 0.00 N ATOM 0 H LYS B 25 1.029 17.982 5.759 1.00 0.00 H new ATOM 0 HA LYS B 25 0.835 20.304 7.247 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.185 19.671 4.975 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.444 18.832 5.858 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -2.528 20.821 5.636 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.628 21.228 7.083 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.367 23.024 5.464 1.00 0.00 H new ATOM 0 HD3 LYS B 25 0.177 22.221 5.673 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -0.161 22.561 3.304 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.298 20.843 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.034 21.789 2.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.649 20.952 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -2.652 22.650 3.459 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.236 17.947 8.283 1.00 0.00 N ATOM 1733 CA HIS B 26 -2.032 17.498 9.413 1.00 0.00 C ATOM 1734 C HIS B 26 -1.142 16.775 10.416 1.00 0.00 C ATOM 1735 O HIS B 26 -1.440 16.738 11.610 1.00 0.00 O ATOM 1736 CB HIS B 26 -3.164 16.579 8.943 1.00 0.00 C ATOM 1737 CG HIS B 26 -4.170 17.249 8.053 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -5.382 17.706 8.507 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -4.153 17.501 6.722 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -6.072 18.200 7.498 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.352 18.089 6.397 1.00 0.00 N ATOM 0 H HIS B 26 -1.247 17.316 7.482 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.478 18.367 9.897 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.732 15.732 8.411 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.678 16.178 9.817 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.345 17.280 6.041 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -7.063 18.625 7.562 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.637 18.388 5.464 1.00 0.00 H new ATOM 1750 N LYS B 27 -0.040 16.229 9.903 1.00 0.00 N ATOM 1751 CA LYS B 27 0.955 15.507 10.695 1.00 0.00 C ATOM 1752 C LYS B 27 0.387 14.215 11.264 1.00 0.00 C ATOM 1753 O LYS B 27 -0.275 14.205 12.303 1.00 0.00 O ATOM 1754 CB LYS B 27 1.550 16.382 11.802 1.00 0.00 C ATOM 1755 CG LYS B 27 2.673 15.696 12.570 1.00 0.00 C ATOM 1756 CD LYS B 27 3.507 16.691 13.361 1.00 0.00 C ATOM 1757 CE LYS B 27 4.188 17.697 12.444 1.00 0.00 C ATOM 1758 NZ LYS B 27 5.079 17.037 11.455 1.00 0.00 N ATOM 0 H LYS B 27 0.190 16.277 8.910 1.00 0.00 H new ATOM 0 HA LYS B 27 1.767 15.243 10.017 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.930 17.305 11.363 1.00 0.00 H new ATOM 0 HB3 LYS B 27 0.760 16.662 12.499 1.00 0.00 H new ATOM 0 HG2 LYS B 27 2.249 14.956 13.249 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.315 15.158 11.872 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.871 17.217 14.072 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.260 16.157 13.941 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.431 18.278 11.918 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.769 18.398 13.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.535 17.760 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 5.808 16.489 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.519 16.400 10.854 1.00 0.00 H new ATOM 1772 N ALA B 28 0.644 13.129 10.560 1.00 0.00 N ATOM 1773 CA ALA B 28 0.210 11.815 10.990 1.00 0.00 C ATOM 1774 C ALA B 28 1.414 10.950 11.340 1.00 0.00 C ATOM 1775 O ALA B 28 2.450 11.022 10.676 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.623 11.154 9.900 1.00 0.00 C ATOM 0 H ALA B 28 1.157 13.133 9.678 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.408 11.923 11.881 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.943 10.167 10.235 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.499 11.768 9.689 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.024 11.053 8.995 1.00 0.00 H new ATOM 1782 N PRO B 29 1.306 10.151 12.412 1.00 0.00 N ATOM 1783 CA PRO B 29 2.353 9.207 12.802 1.00 0.00 C ATOM 1784 C PRO B 29 2.545 8.121 11.752 1.00 0.00 C ATOM 1785 O PRO B 29 1.609 7.780 11.030 1.00 0.00 O ATOM 1786 CB PRO B 29 1.834 8.594 14.110 1.00 0.00 C ATOM 1787 CG PRO B 29 0.753 9.511 14.572 1.00 0.00 C ATOM 1788 CD PRO B 29 0.160 10.108 13.331 1.00 0.00 C ATOM 0 HA PRO B 29 3.322 9.695 12.911 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.452 7.586 13.948 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.629 8.518 14.852 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.001 8.969 15.143 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.152 10.286 15.226 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.652 9.498 12.937 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.248 11.102 13.515 1.00 0.00 H new ATOM 1796 N THR B 30 3.750 7.573 11.684 1.00 0.00 N ATOM 1797 CA THR B 30 4.081 6.545 10.704 1.00 0.00 C ATOM 1798 C THR B 30 3.128 5.353 10.815 1.00 0.00 C ATOM 1799 O THR B 30 2.726 4.770 9.807 1.00 0.00 O ATOM 1800 CB THR B 30 5.536 6.065 10.887 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.415 7.199 10.932 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.959 5.138 9.756 1.00 0.00 C ATOM 0 H THR B 30 4.522 7.825 12.301 1.00 0.00 H new ATOM 0 HA THR B 30 3.974 6.987 9.713 1.00 0.00 H new ATOM 0 HB THR B 30 5.595 5.510 11.823 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.338 6.893 11.050 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.989 4.817 9.914 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.306 4.265 9.737 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.886 5.667 8.806 1.00 0.00 H new ATOM 1810 N ASP B 31 2.754 5.018 12.047 1.00 0.00 N ATOM 1811 CA ASP B 31 1.811 3.932 12.305 1.00 0.00 C ATOM 1812 C ASP B 31 0.473 4.205 11.630 1.00 0.00 C ATOM 1813 O ASP B 31 -0.147 3.301 11.064 1.00 0.00 O ATOM 1814 CB ASP B 31 1.597 3.759 13.810 1.00 0.00 C ATOM 1815 CG ASP B 31 2.848 3.310 14.530 1.00 0.00 C ATOM 1816 OD1 ASP B 31 3.655 4.178 14.927 1.00 0.00 O ATOM 1817 OD2 ASP B 31 3.026 2.086 14.716 1.00 0.00 O ATOM 0 H ASP B 31 3.092 5.486 12.888 1.00 0.00 H new ATOM 0 HA ASP B 31 2.233 3.016 11.893 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.257 4.703 14.235 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.804 3.030 13.979 1.00 0.00 H new ATOM 1822 N LEU B 32 0.038 5.457 11.684 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.220 5.854 11.071 1.00 0.00 C ATOM 1824 C LEU B 32 -1.075 5.934 9.556 1.00 0.00 C ATOM 1825 O LEU B 32 -1.950 5.485 8.824 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.696 7.199 11.633 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.019 7.718 11.060 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.136 6.708 11.282 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.380 9.057 11.688 1.00 0.00 C ATOM 0 H LEU B 32 0.539 6.215 12.147 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.968 5.098 11.308 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.799 7.106 12.714 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.922 7.945 11.450 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.895 7.859 9.986 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.066 7.097 10.867 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.882 5.770 10.787 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.261 6.532 12.351 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.322 9.412 11.271 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.483 8.937 12.766 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.593 9.782 11.477 1.00 0.00 H new ATOM 1841 N SER B 33 0.035 6.500 9.095 1.00 0.00 N ATOM 1842 CA SER B 33 0.299 6.622 7.665 1.00 0.00 C ATOM 1843 C SER B 33 0.253 5.255 6.983 1.00 0.00 C ATOM 1844 O SER B 33 -0.381 5.091 5.940 1.00 0.00 O ATOM 1845 CB SER B 33 1.661 7.280 7.445 1.00 0.00 C ATOM 1846 OG SER B 33 1.740 8.520 8.129 1.00 0.00 O ATOM 0 H SER B 33 0.768 6.883 9.692 1.00 0.00 H new ATOM 0 HA SER B 33 -0.476 7.246 7.221 1.00 0.00 H new ATOM 0 HB2 SER B 33 2.451 6.616 7.795 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.826 7.437 6.379 1.00 0.00 H new ATOM 0 HG SER B 33 1.862 8.358 9.088 1.00 0.00 H new ATOM 1852 N LEU B 34 0.910 4.268 7.588 1.00 0.00 N ATOM 1853 CA LEU B 34 0.926 2.917 7.039 1.00 0.00 C ATOM 1854 C LEU B 34 -0.460 2.287 7.115 1.00 0.00 C ATOM 1855 O LEU B 34 -0.865 1.549 6.215 1.00 0.00 O ATOM 1856 CB LEU B 34 1.944 2.047 7.780 1.00 0.00 C ATOM 1857 CG LEU B 34 3.398 2.519 7.684 1.00 0.00 C ATOM 1858 CD1 LEU B 34 4.311 1.596 8.475 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.843 2.593 6.231 1.00 0.00 C ATOM 0 H LEU B 34 1.436 4.379 8.455 1.00 0.00 H new ATOM 0 HA LEU B 34 1.220 2.981 5.991 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.662 2.002 8.832 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.882 1.031 7.390 1.00 0.00 H new ATOM 0 HG LEU B 34 3.463 3.519 8.113 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.340 1.947 8.396 1.00 0.00 H new ATOM 0 HD12 LEU B 34 4.008 1.594 9.522 1.00 0.00 H new ATOM 0 HD13 LEU B 34 4.240 0.584 8.075 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.878 2.930 6.184 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.762 1.606 5.775 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.208 3.296 5.691 1.00 0.00 H new ATOM 1871 N MET B 35 -1.184 2.590 8.186 1.00 0.00 N ATOM 1872 CA MET B 35 -2.543 2.091 8.366 1.00 0.00 C ATOM 1873 C MET B 35 -3.449 2.638 7.267 1.00 0.00 C ATOM 1874 O MET B 35 -4.173 1.884 6.612 1.00 0.00 O ATOM 1875 CB MET B 35 -3.066 2.483 9.756 1.00 0.00 C ATOM 1876 CG MET B 35 -4.447 1.936 10.103 1.00 0.00 C ATOM 1877 SD MET B 35 -5.795 2.896 9.385 1.00 0.00 S ATOM 1878 CE MET B 35 -7.214 2.046 10.075 1.00 0.00 C ATOM 0 H MET B 35 -0.851 3.182 8.947 1.00 0.00 H new ATOM 0 HA MET B 35 -2.540 1.003 8.296 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.355 2.136 10.506 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.095 3.571 9.823 1.00 0.00 H new ATOM 0 HG2 MET B 35 -4.520 0.905 9.757 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.561 1.917 11.187 1.00 0.00 H new ATOM 0 HE1 MET B 35 -8.129 2.522 9.724 1.00 0.00 H new ATOM 0 HE2 MET B 35 -7.203 1.003 9.758 1.00 0.00 H new ATOM 0 HE3 MET B 35 -7.174 2.095 11.163 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.378 3.946 7.055 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.171 4.612 6.029 1.00 0.00 C ATOM 1890 C VAL B 36 -3.844 4.067 4.642 1.00 0.00 C ATOM 1891 O VAL B 36 -4.739 3.655 3.907 1.00 0.00 O ATOM 1892 CB VAL B 36 -3.945 6.139 6.043 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -4.638 6.802 4.861 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.438 6.740 7.351 1.00 0.00 C ATOM 0 H VAL B 36 -2.773 4.572 7.586 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.218 4.409 6.256 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.874 6.323 5.957 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.464 7.877 4.894 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.238 6.398 3.931 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -5.709 6.606 4.911 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.270 7.817 7.343 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.503 6.539 7.465 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.894 6.295 8.184 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.560 4.052 4.298 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.123 3.570 2.991 1.00 0.00 C ATOM 1906 C LEU B 37 -2.506 2.106 2.793 1.00 0.00 C ATOM 1907 O LEU B 37 -2.977 1.725 1.723 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.609 3.747 2.830 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.121 5.198 2.826 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.398 5.252 2.750 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.741 5.966 1.667 1.00 0.00 C ATOM 0 H LEU B 37 -1.804 4.368 4.905 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.628 4.163 2.229 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.109 3.214 3.639 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.301 3.274 1.898 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.435 5.668 3.758 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.725 6.292 2.748 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.824 4.739 3.612 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.734 4.764 1.835 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.383 6.995 1.680 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.458 5.495 0.726 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.827 5.958 1.765 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.316 1.297 3.831 1.00 0.00 N ATOM 1924 CA GLY B 38 -2.682 -0.106 3.757 1.00 0.00 C ATOM 1925 C GLY B 38 -4.167 -0.292 3.518 1.00 0.00 C ATOM 1926 O GLY B 38 -4.577 -1.103 2.684 1.00 0.00 O ATOM 0 H GLY B 38 -1.915 1.588 4.722 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.122 -0.585 2.954 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.398 -0.604 4.684 1.00 0.00 H new ATOM 1930 N ASN B 39 -4.969 0.472 4.248 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.418 0.451 4.086 1.00 0.00 C ATOM 1932 C ASN B 39 -6.794 0.931 2.687 1.00 0.00 C ATOM 1933 O ASN B 39 -7.605 0.311 1.998 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.072 1.341 5.152 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.588 1.316 5.102 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.215 2.129 4.426 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.190 0.390 5.831 1.00 0.00 N ATOM 0 H ASN B 39 -4.638 1.119 4.964 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.779 -0.570 4.211 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.742 1.017 6.139 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -6.727 2.367 5.021 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.208 0.334 5.845 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.636 -0.268 6.379 1.00 0.00 H new ATOM 1944 N MET B 40 -6.160 2.019 2.271 1.00 0.00 N ATOM 1945 CA MET B 40 -6.387 2.614 0.959 1.00 0.00 C ATOM 1946 C MET B 40 -6.120 1.606 -0.158 1.00 0.00 C ATOM 1947 O MET B 40 -6.958 1.418 -1.040 1.00 0.00 O ATOM 1948 CB MET B 40 -5.485 3.840 0.794 1.00 0.00 C ATOM 1949 CG MET B 40 -5.636 4.558 -0.536 1.00 0.00 C ATOM 1950 SD MET B 40 -4.566 6.004 -0.651 1.00 0.00 S ATOM 1951 CE MET B 40 -4.934 6.566 -2.308 1.00 0.00 C ATOM 0 H MET B 40 -5.471 2.516 2.835 1.00 0.00 H new ATOM 0 HA MET B 40 -7.432 2.917 0.890 1.00 0.00 H new ATOM 0 HB2 MET B 40 -5.699 4.544 1.599 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.447 3.530 0.909 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.402 3.869 -1.348 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.674 4.864 -0.666 1.00 0.00 H new ATOM 0 HE1 MET B 40 -4.444 7.524 -2.485 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.571 5.834 -3.029 1.00 0.00 H new ATOM 0 HE3 MET B 40 -6.012 6.683 -2.421 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.959 0.955 -0.110 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.596 -0.038 -1.118 1.00 0.00 C ATOM 1963 C VAL B 41 -5.596 -1.192 -1.130 1.00 0.00 C ATOM 1964 O VAL B 41 -6.056 -1.614 -2.193 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.169 -0.594 -0.887 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.841 -1.701 -1.882 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.138 0.519 -0.987 1.00 0.00 C ATOM 0 H VAL B 41 -4.255 1.097 0.615 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.617 0.467 -2.084 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.137 -1.016 0.117 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.833 -2.071 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.555 -2.517 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.900 -1.307 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.142 0.108 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.185 0.970 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.347 1.278 -0.233 1.00 0.00 H new ATOM 1977 N THR B 42 -5.942 -1.679 0.058 1.00 0.00 N ATOM 1978 CA THR B 42 -6.898 -2.772 0.199 1.00 0.00 C ATOM 1979 C THR B 42 -8.230 -2.431 -0.472 1.00 0.00 C ATOM 1980 O THR B 42 -8.784 -3.233 -1.227 1.00 0.00 O ATOM 1981 CB THR B 42 -7.139 -3.103 1.688 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.896 -3.447 2.318 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.123 -4.253 1.844 1.00 0.00 C ATOM 0 H THR B 42 -5.572 -1.331 0.942 1.00 0.00 H new ATOM 0 HA THR B 42 -6.470 -3.644 -0.295 1.00 0.00 H new ATOM 0 HB THR B 42 -7.563 -2.220 2.166 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.437 -2.630 2.604 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.272 -4.463 2.903 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.076 -3.981 1.390 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.727 -5.140 1.351 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.730 -1.228 -0.214 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.000 -0.794 -0.782 1.00 0.00 C ATOM 1993 C ASN B 43 -9.873 -0.579 -2.282 1.00 0.00 C ATOM 1994 O ASN B 43 -10.781 -0.908 -3.043 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.488 0.500 -0.120 1.00 0.00 C ATOM 1996 CG ASN B 43 -10.666 0.359 1.376 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -10.925 -0.730 1.885 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -10.542 1.465 2.089 1.00 0.00 N ATOM 0 H ASN B 43 -8.276 -0.537 0.384 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.729 -1.582 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.775 1.299 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -11.436 0.798 -0.568 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.662 1.435 3.101 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -10.326 2.348 1.627 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.737 -0.035 -2.696 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.493 0.281 -4.098 1.00 0.00 C ATOM 2007 C LEU B 44 -8.579 -0.983 -4.953 1.00 0.00 C ATOM 2008 O LEU B 44 -9.274 -1.010 -5.971 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.114 0.940 -4.244 1.00 0.00 C ATOM 2010 CG LEU B 44 -6.976 1.987 -5.360 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.081 1.350 -6.736 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -8.024 3.079 -5.197 1.00 0.00 C ATOM 0 H LEU B 44 -7.963 0.199 -2.075 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.257 0.977 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.859 1.414 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.377 0.156 -4.417 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.986 2.435 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.979 2.119 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -6.289 0.611 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.051 0.862 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.912 3.813 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.020 2.638 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -7.891 3.569 -4.233 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.896 -2.035 -4.516 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.852 -3.289 -5.264 1.00 0.00 C ATOM 2026 C ILE B 45 -9.219 -3.982 -5.270 1.00 0.00 C ATOM 2027 O ILE B 45 -9.590 -4.635 -6.242 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.785 -4.246 -4.683 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.405 -3.581 -4.713 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.754 -5.559 -5.457 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.300 -4.434 -4.124 1.00 0.00 C ATOM 0 H ILE B 45 -7.364 -2.046 -3.646 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.582 -3.042 -6.291 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.050 -4.465 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.152 -3.338 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.454 -2.639 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.996 -6.215 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.729 -6.042 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.515 -5.360 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.354 -3.895 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.528 -4.656 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.221 -5.365 -4.685 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.970 -3.816 -4.192 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.268 -4.473 -4.060 1.00 0.00 C ATOM 2045 C ASN B 46 -12.366 -3.750 -4.842 1.00 0.00 C ATOM 2046 O ASN B 46 -13.402 -4.338 -5.144 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.669 -4.577 -2.586 1.00 0.00 C ATOM 2048 CG ASN B 46 -11.018 -5.751 -1.877 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -9.966 -6.239 -2.284 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -11.638 -6.207 -0.798 1.00 0.00 N ATOM 0 H ASN B 46 -9.707 -3.234 -3.396 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.161 -5.472 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.396 -3.654 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.753 -4.672 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -11.243 -6.989 -0.275 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -12.510 -5.776 -0.490 1.00 0.00 H new ATOM 2057 N THR B 47 -12.149 -2.482 -5.170 1.00 0.00 N ATOM 2058 CA THR B 47 -13.181 -1.693 -5.832 1.00 0.00 C ATOM 2059 C THR B 47 -12.824 -1.360 -7.280 1.00 0.00 C ATOM 2060 O THR B 47 -13.589 -1.652 -8.199 1.00 0.00 O ATOM 2061 CB THR B 47 -13.462 -0.385 -5.064 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.236 0.330 -4.839 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.138 -0.673 -3.731 1.00 0.00 C ATOM 0 H THR B 47 -11.278 -1.982 -4.991 1.00 0.00 H new ATOM 0 HA THR B 47 -14.078 -2.313 -5.837 1.00 0.00 H new ATOM 0 HB THR B 47 -14.132 0.226 -5.669 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.832 0.030 -3.998 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.326 0.265 -3.208 1.00 0.00 H new ATOM 0 HG22 THR B 47 -15.083 -1.187 -3.906 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.490 -1.304 -3.123 1.00 0.00 H new ATOM 2071 N SER B 48 -11.662 -0.749 -7.476 1.00 0.00 N ATOM 2072 CA SER B 48 -11.258 -0.278 -8.792 1.00 0.00 C ATOM 2073 C SER B 48 -10.686 -1.420 -9.626 1.00 0.00 C ATOM 2074 O SER B 48 -10.864 -1.466 -10.844 1.00 0.00 O ATOM 2075 CB SER B 48 -10.226 0.837 -8.647 1.00 0.00 C ATOM 2076 OG SER B 48 -10.688 1.838 -7.754 1.00 0.00 O ATOM 0 H SER B 48 -10.982 -0.568 -6.737 1.00 0.00 H new ATOM 0 HA SER B 48 -12.137 0.110 -9.306 1.00 0.00 H new ATOM 0 HB2 SER B 48 -9.286 0.423 -8.282 1.00 0.00 H new ATOM 0 HB3 SER B 48 -10.022 1.279 -9.622 1.00 0.00 H new ATOM 0 HG SER B 48 -10.011 2.542 -7.674 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.001 -2.337 -8.960 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.434 -3.498 -9.625 1.00 0.00 C ATOM 2084 C ILE B 49 -10.489 -4.591 -9.726 1.00 0.00 C ATOM 2085 O ILE B 49 -11.306 -4.759 -8.821 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.172 -4.028 -8.880 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -6.946 -3.154 -9.175 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.876 -5.477 -9.237 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -6.984 -1.788 -8.528 1.00 0.00 C ATOM 0 H ILE B 49 -9.824 -2.298 -7.956 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.120 -3.200 -10.625 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.389 -3.978 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -6.052 -3.678 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -6.855 -3.029 -10.254 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.989 -5.811 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.726 -6.101 -8.959 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.701 -5.559 -10.310 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -6.080 -1.237 -8.788 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -7.857 -1.241 -8.883 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.042 -1.900 -7.445 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.493 -5.303 -10.846 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.417 -6.406 -11.045 1.00 0.00 C ATOM 2103 C ALA B 50 -11.269 -7.431 -9.927 1.00 0.00 C ATOM 2104 O ALA B 50 -10.195 -8.010 -9.742 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.188 -7.055 -12.402 1.00 0.00 C ATOM 0 H ALA B 50 -9.864 -5.134 -11.631 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.434 -6.015 -11.021 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.889 -7.879 -12.534 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.343 -6.317 -13.189 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.168 -7.434 -12.456 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.355 -7.676 -9.176 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.340 -8.554 -7.995 1.00 0.00 C ATOM 2113 C PRO B 51 -11.843 -9.969 -8.294 1.00 0.00 C ATOM 2114 O PRO B 51 -11.477 -10.707 -7.382 1.00 0.00 O ATOM 2115 CB PRO B 51 -13.808 -8.590 -7.559 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.400 -7.342 -8.111 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.690 -7.097 -9.410 1.00 0.00 C ATOM 0 HA PRO B 51 -11.654 -8.179 -7.235 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.314 -9.473 -7.948 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -13.897 -8.623 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.473 -7.453 -8.266 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.262 -6.506 -7.425 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.198 -7.580 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.633 -6.034 -9.644 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.821 -10.336 -9.569 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.375 -11.661 -9.981 1.00 0.00 C ATOM 2127 C ALA B 52 -9.871 -11.835 -9.776 1.00 0.00 C ATOM 2128 O ALA B 52 -9.395 -12.943 -9.536 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.745 -11.909 -11.436 1.00 0.00 C ATOM 0 H ALA B 52 -12.108 -9.732 -10.339 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.881 -12.396 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.407 -12.902 -11.733 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.827 -11.844 -11.552 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.267 -11.159 -12.066 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.131 -10.737 -9.852 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.676 -10.785 -9.733 1.00 0.00 C ATOM 2137 C GLN B 53 -7.194 -9.981 -8.530 1.00 0.00 C ATOM 2138 O GLN B 53 -6.014 -9.642 -8.429 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.026 -10.267 -11.019 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.561 -8.919 -11.480 1.00 0.00 C ATOM 2141 CD GLN B 53 -6.920 -8.446 -12.770 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -7.679 -7.726 -13.579 1.00 0.00 O flip ATOM 2143 NE2 GLN B 53 -5.757 -8.735 -13.043 1.00 0.00 N flip ATOM 0 H GLN B 53 -9.512 -9.802 -9.995 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.381 -11.823 -9.580 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.950 -10.186 -10.864 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.180 -10.999 -11.812 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.640 -8.989 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.388 -8.178 -10.700 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.204 -9.293 -12.392 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.345 -8.417 -13.920 1.00 0.00 H new ATOM 2152 N ARG B 54 -8.109 -9.719 -7.605 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.812 -8.913 -6.424 1.00 0.00 C ATOM 2154 C ARG B 54 -6.681 -9.529 -5.597 1.00 0.00 C ATOM 2155 O ARG B 54 -5.788 -8.828 -5.127 1.00 0.00 O ATOM 2156 CB ARG B 54 -9.071 -8.759 -5.556 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.567 -10.067 -4.956 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.879 -9.891 -4.215 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.294 -11.124 -3.544 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.329 -11.873 -3.927 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -12.952 -11.615 -5.068 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -12.706 -12.912 -3.195 1.00 0.00 N ATOM 0 H ARG B 54 -9.071 -10.055 -7.650 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.486 -7.930 -6.765 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.861 -8.057 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.866 -8.322 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.694 -10.804 -5.749 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.815 -10.461 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.777 -9.093 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.654 -9.580 -4.916 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.758 -11.430 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.640 -10.842 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.743 -12.190 -5.358 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.204 -13.140 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.498 -13.483 -3.490 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.711 -10.849 -5.452 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.763 -11.548 -4.596 1.00 0.00 C ATOM 2178 C GLN B 55 -4.402 -11.645 -5.286 1.00 0.00 C ATOM 2179 O GLN B 55 -3.360 -11.493 -4.650 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.307 -12.942 -4.268 1.00 0.00 C ATOM 2181 CG GLN B 55 -6.016 -13.425 -2.852 1.00 0.00 C ATOM 2182 CD GLN B 55 -4.542 -13.620 -2.570 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -3.986 -14.681 -2.850 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -3.911 -12.613 -1.989 1.00 0.00 N ATOM 0 H GLN B 55 -7.384 -11.457 -5.918 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.632 -10.993 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.386 -12.941 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.885 -13.657 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -6.421 -12.705 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -6.537 -14.367 -2.684 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -4.413 -11.751 -1.776 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -2.922 -12.698 -1.755 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.424 -11.876 -6.593 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.196 -11.994 -7.371 1.00 0.00 C ATOM 2195 C ALA B 56 -2.396 -10.696 -7.321 1.00 0.00 C ATOM 2196 O ALA B 56 -1.191 -10.705 -7.065 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.518 -12.369 -8.810 1.00 0.00 C ATOM 0 H ALA B 56 -5.280 -11.986 -7.137 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.586 -12.784 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.593 -12.454 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.044 -13.323 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.148 -11.599 -9.254 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.079 -9.580 -7.551 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.434 -8.276 -7.514 1.00 0.00 C ATOM 2205 C ILE B 57 -1.985 -7.936 -6.093 1.00 0.00 C ATOM 2206 O ILE B 57 -0.924 -7.345 -5.893 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.365 -7.171 -8.063 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -3.706 -7.460 -9.531 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.721 -5.794 -7.924 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -4.600 -6.419 -10.173 1.00 0.00 C ATOM 0 H ILE B 57 -4.076 -9.554 -7.764 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.555 -8.324 -8.156 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.285 -7.170 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.780 -7.530 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.194 -8.432 -9.595 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.397 -5.035 -8.318 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.520 -5.591 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -1.785 -5.772 -8.483 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -4.794 -6.696 -11.209 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -5.543 -6.364 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.107 -5.447 -10.143 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.783 -8.342 -5.108 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.440 -8.126 -3.706 1.00 0.00 C ATOM 2224 C ALA B 58 -1.092 -8.754 -3.370 1.00 0.00 C ATOM 2225 O ALA B 58 -0.211 -8.096 -2.814 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.523 -8.691 -2.800 1.00 0.00 C ATOM 0 H ALA B 58 -3.671 -8.822 -5.256 1.00 0.00 H new ATOM 0 HA ALA B 58 -2.367 -7.051 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -3.251 -8.521 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.470 -8.196 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.625 -9.761 -2.979 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.927 -10.025 -3.728 1.00 0.00 N ATOM 2233 CA ASN B 59 0.324 -10.731 -3.465 1.00 0.00 C ATOM 2234 C ASN B 59 1.470 -10.100 -4.243 1.00 0.00 C ATOM 2235 O ASN B 59 2.588 -9.993 -3.740 1.00 0.00 O ATOM 2236 CB ASN B 59 0.214 -12.215 -3.831 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.789 -12.957 -2.973 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -1.064 -12.571 -1.839 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.334 -14.039 -3.503 1.00 0.00 N ATOM 0 H ASN B 59 -1.639 -10.584 -4.198 1.00 0.00 H new ATOM 0 HA ASN B 59 0.526 -10.650 -2.397 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.073 -12.306 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.192 -12.684 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -2.008 -14.585 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -1.080 -14.327 -4.448 1.00 0.00 H new ATOM 2246 N SER B 60 1.179 -9.675 -5.466 1.00 0.00 N ATOM 2247 CA SER B 60 2.179 -9.042 -6.311 1.00 0.00 C ATOM 2248 C SER B 60 2.674 -7.743 -5.679 1.00 0.00 C ATOM 2249 O SER B 60 3.876 -7.486 -5.637 1.00 0.00 O ATOM 2250 CB SER B 60 1.602 -8.775 -7.703 1.00 0.00 C ATOM 2251 OG SER B 60 1.132 -9.976 -8.295 1.00 0.00 O ATOM 0 H SER B 60 0.257 -9.758 -5.894 1.00 0.00 H new ATOM 0 HA SER B 60 3.028 -9.718 -6.409 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.785 -8.057 -7.631 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.366 -8.327 -8.338 1.00 0.00 H new ATOM 0 HG SER B 60 0.306 -10.259 -7.850 1.00 0.00 H new ATOM 2257 N PHE B 61 1.743 -6.944 -5.165 1.00 0.00 N ATOM 2258 CA PHE B 61 2.082 -5.685 -4.511 1.00 0.00 C ATOM 2259 C PHE B 61 2.937 -5.942 -3.273 1.00 0.00 C ATOM 2260 O PHE B 61 3.936 -5.259 -3.041 1.00 0.00 O ATOM 2261 CB PHE B 61 0.805 -4.928 -4.127 1.00 0.00 C ATOM 2262 CG PHE B 61 1.048 -3.561 -3.546 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.188 -2.456 -4.375 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.130 -3.378 -2.175 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.405 -1.199 -3.844 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.348 -2.124 -1.640 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.486 -1.032 -2.476 1.00 0.00 C ATOM 0 H PHE B 61 0.744 -7.148 -5.189 1.00 0.00 H new ATOM 0 HA PHE B 61 2.656 -5.074 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.176 -4.828 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.247 -5.523 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.127 -2.580 -5.446 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.022 -4.227 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.511 -0.347 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.411 -1.996 -0.569 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.657 -0.050 -2.060 1.00 0.00 H new ATOM 2277 N ALA B 62 2.546 -6.942 -2.492 1.00 0.00 N ATOM 2278 CA ALA B 62 3.266 -7.296 -1.276 1.00 0.00 C ATOM 2279 C ALA B 62 4.696 -7.734 -1.587 1.00 0.00 C ATOM 2280 O ALA B 62 5.648 -7.279 -0.949 1.00 0.00 O ATOM 2281 CB ALA B 62 2.524 -8.396 -0.532 1.00 0.00 C ATOM 0 H ALA B 62 1.730 -7.524 -2.681 1.00 0.00 H new ATOM 0 HA ALA B 62 3.319 -6.411 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.070 -8.654 0.375 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.526 -8.047 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.444 -9.276 -1.170 1.00 0.00 H new ATOM 2287 N ARG B 63 4.840 -8.604 -2.579 1.00 0.00 N ATOM 2288 CA ARG B 63 6.152 -9.102 -2.978 1.00 0.00 C ATOM 2289 C ARG B 63 7.002 -7.982 -3.571 1.00 0.00 C ATOM 2290 O ARG B 63 8.204 -7.898 -3.306 1.00 0.00 O ATOM 2291 CB ARG B 63 6.007 -10.244 -3.988 1.00 0.00 C ATOM 2292 CG ARG B 63 5.297 -11.470 -3.432 1.00 0.00 C ATOM 2293 CD ARG B 63 5.075 -12.522 -4.506 1.00 0.00 C ATOM 2294 NE ARG B 63 6.334 -13.067 -5.009 1.00 0.00 N ATOM 2295 CZ ARG B 63 6.525 -13.476 -6.266 1.00 0.00 C ATOM 2296 NH1 ARG B 63 5.538 -13.392 -7.152 1.00 0.00 N ATOM 2297 NH2 ARG B 63 7.698 -13.975 -6.634 1.00 0.00 N ATOM 0 H ARG B 63 4.064 -8.980 -3.123 1.00 0.00 H new ATOM 0 HA ARG B 63 6.654 -9.481 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.458 -9.881 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG B 63 6.998 -10.536 -4.336 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.887 -11.896 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.338 -11.174 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.466 -13.330 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG B 63 4.514 -12.084 -5.332 1.00 0.00 H new ATOM 0 HE ARG B 63 7.117 -13.140 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG B 63 4.633 -13.015 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG B 63 5.686 -13.705 -8.111 1.00 0.00 H new ATOM 0 HH21 ARG B 63 8.457 -14.047 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG B 63 7.841 -14.287 -7.595 1.00 0.00 H new ATOM 2311 N ALA B 64 6.372 -7.116 -4.359 1.00 0.00 N ATOM 2312 CA ALA B 64 7.070 -5.997 -4.981 1.00 0.00 C ATOM 2313 C ALA B 64 7.608 -5.036 -3.926 1.00 0.00 C ATOM 2314 O ALA B 64 8.713 -4.516 -4.057 1.00 0.00 O ATOM 2315 CB ALA B 64 6.152 -5.264 -5.947 1.00 0.00 C ATOM 0 H ALA B 64 5.378 -7.168 -4.582 1.00 0.00 H new ATOM 0 HA ALA B 64 7.916 -6.396 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.691 -4.432 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.821 -5.951 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.285 -4.883 -5.407 1.00 0.00 H new ATOM 2321 N LEU B 65 6.825 -4.814 -2.878 1.00 0.00 N ATOM 2322 CA LEU B 65 7.242 -3.950 -1.779 1.00 0.00 C ATOM 2323 C LEU B 65 8.502 -4.503 -1.116 1.00 0.00 C ATOM 2324 O LEU B 65 9.465 -3.773 -0.878 1.00 0.00 O ATOM 2325 CB LEU B 65 6.113 -3.828 -0.751 1.00 0.00 C ATOM 2326 CG LEU B 65 6.394 -2.890 0.425 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.564 -1.456 -0.058 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.275 -2.977 1.449 1.00 0.00 C ATOM 0 H LEU B 65 5.896 -5.220 -2.765 1.00 0.00 H new ATOM 0 HA LEU B 65 7.466 -2.960 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.215 -3.483 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU B 65 5.894 -4.821 -0.358 1.00 0.00 H new ATOM 0 HG LEU B 65 7.325 -3.203 0.899 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.763 -0.806 0.794 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.399 -1.404 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.652 -1.130 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.489 -2.304 2.280 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.332 -2.690 0.983 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.200 -3.999 1.820 1.00 0.00 H new ATOM 2340 N GLN B 66 8.493 -5.804 -0.852 1.00 0.00 N ATOM 2341 CA GLN B 66 9.603 -6.471 -0.178 1.00 0.00 C ATOM 2342 C GLN B 66 10.876 -6.436 -1.021 1.00 0.00 C ATOM 2343 O GLN B 66 11.978 -6.305 -0.489 1.00 0.00 O ATOM 2344 CB GLN B 66 9.230 -7.920 0.132 1.00 0.00 C ATOM 2345 CG GLN B 66 8.011 -8.055 1.030 1.00 0.00 C ATOM 2346 CD GLN B 66 7.559 -9.492 1.182 1.00 0.00 C ATOM 2347 OE1 GLN B 66 8.365 -10.422 1.132 1.00 0.00 O ATOM 2348 NE2 GLN B 66 6.263 -9.682 1.353 1.00 0.00 N ATOM 0 H GLN B 66 7.721 -6.424 -1.097 1.00 0.00 H new ATOM 0 HA GLN B 66 9.799 -5.935 0.750 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.042 -8.446 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.078 -8.411 0.609 1.00 0.00 H new ATOM 0 HG2 GLN B 66 8.241 -7.644 2.013 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.194 -7.462 0.619 1.00 0.00 H new ATOM 0 HE21 GLN B 66 5.631 -8.882 1.388 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.895 -10.628 1.450 1.00 0.00 H new ATOM 2357 N SER B 67 10.722 -6.549 -2.332 1.00 0.00 N ATOM 2358 CA SER B 67 11.865 -6.586 -3.232 1.00 0.00 C ATOM 2359 C SER B 67 12.381 -5.181 -3.547 1.00 0.00 C ATOM 2360 O SER B 67 13.559 -4.997 -3.856 1.00 0.00 O ATOM 2361 CB SER B 67 11.495 -7.332 -4.515 1.00 0.00 C ATOM 2362 OG SER B 67 10.206 -6.953 -4.970 1.00 0.00 O ATOM 0 H SER B 67 9.816 -6.617 -2.796 1.00 0.00 H new ATOM 0 HA SER B 67 12.673 -7.120 -2.733 1.00 0.00 H new ATOM 0 HB2 SER B 67 12.234 -7.121 -5.288 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.519 -8.407 -4.335 1.00 0.00 H new ATOM 0 HG SER B 67 9.523 -7.421 -4.446 1.00 0.00 H new ATOM 2368 N SER B 68 11.500 -4.191 -3.459 1.00 0.00 N ATOM 2369 CA SER B 68 11.889 -2.808 -3.694 1.00 0.00 C ATOM 2370 C SER B 68 12.675 -2.267 -2.505 1.00 0.00 C ATOM 2371 O SER B 68 13.539 -1.400 -2.660 1.00 0.00 O ATOM 2372 CB SER B 68 10.656 -1.942 -3.956 1.00 0.00 C ATOM 2373 OG SER B 68 9.951 -2.398 -5.101 1.00 0.00 O ATOM 0 H SER B 68 10.515 -4.321 -3.227 1.00 0.00 H new ATOM 0 HA SER B 68 12.528 -2.775 -4.576 1.00 0.00 H new ATOM 0 HB2 SER B 68 9.999 -1.965 -3.086 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.959 -0.905 -4.100 1.00 0.00 H new ATOM 0 HG SER B 68 9.337 -3.117 -4.842 1.00 0.00 H new ATOM 2379 N ILE B 69 12.370 -2.785 -1.321 1.00 0.00 N ATOM 2380 CA ILE B 69 13.108 -2.437 -0.117 1.00 0.00 C ATOM 2381 C ILE B 69 14.437 -3.187 -0.083 1.00 0.00 C ATOM 2382 O ILE B 69 14.478 -4.400 0.141 1.00 0.00 O ATOM 2383 CB ILE B 69 12.288 -2.750 1.159 1.00 0.00 C ATOM 2384 CG1 ILE B 69 11.042 -1.862 1.213 1.00 0.00 C ATOM 2385 CG2 ILE B 69 13.136 -2.563 2.413 1.00 0.00 C ATOM 2386 CD1 ILE B 69 10.145 -2.136 2.400 1.00 0.00 C ATOM 0 H ILE B 69 11.612 -3.451 -1.171 1.00 0.00 H new ATOM 0 HA ILE B 69 13.299 -1.364 -0.138 1.00 0.00 H new ATOM 0 HB ILE B 69 11.975 -3.793 1.120 1.00 0.00 H new ATOM 0 HG12 ILE B 69 11.353 -0.818 1.238 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.468 -2.002 0.297 1.00 0.00 H new ATOM 0 HG21 ILE B 69 12.536 -2.789 3.295 1.00 0.00 H new ATOM 0 HG22 ILE B 69 13.994 -3.234 2.376 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.485 -1.532 2.466 1.00 0.00 H new ATOM 0 HD11 ILE B 69 9.285 -1.468 2.368 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.802 -3.170 2.366 1.00 0.00 H new ATOM 0 HD13 ILE B 69 10.701 -1.968 3.322 1.00 0.00 H new