USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -169:sc= 1.19 (180deg=-0.132) USER MOD Set 1.2: B 55 GLN : amide:sc= -0.76! C(o=0.43!,f=-12!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.01) USER MOD Single : A 14 SER OG : rot 93:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0231) USER MOD Single : A 26 HIS : no HD1:sc= 0.167 K(o=0.17,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 130:sc= -0.0675 USER MOD Single : A 33 SER OG : rot 74:sc= 0.715 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 40 CYS SG : rot -21:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0.644 (180deg=0.623) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.89) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.63) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc=-0.00564 X(o=-0.0056,f=-0.0056) USER MOD Single : B 14 SER OG : rot 81:sc= 0.00818 USER MOD Single : B 25 LYS NZ :NH3+ -167:sc= -0.0172 (180deg=-0.181) USER MOD Single : B 26 HIS : no HD1:sc= 0.48 K(o=0.48,f=-6!) USER MOD Single : B 27 LYS NZ :NH3+ 163:sc= -0.0656 (180deg=-0.391) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.108 USER MOD Single : B 33 SER OG : rot -82:sc= 0.691 USER MOD Single : B 35 MET CE :methyl -161:sc= -0.185 (180deg=-0.707) USER MOD Single : B 39 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.1!) USER MOD Single : B 40 CYS SG : rot 59:sc= 0.938 USER MOD Single : B 42 THR OG1 : rot -87:sc= -0.0375 USER MOD Single : B 43 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.698 K(o=-0.7,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0236) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 68 SER OG : rot 25:sc= 0.839 USER MOD Single : B 70 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.54) USER MOD Single : B 71 SER OG : rot 64:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -1.616 19.626 -2.936 1.00 0.00 N ATOM 121 CA SER A 8 -0.283 20.155 -2.755 1.00 0.00 C ATOM 122 C SER A 8 0.720 19.012 -2.772 1.00 0.00 C ATOM 123 O SER A 8 0.554 18.023 -2.054 1.00 0.00 O ATOM 124 CB SER A 8 -0.191 20.930 -1.436 1.00 0.00 C ATOM 125 OG SER A 8 1.138 21.357 -1.173 1.00 0.00 O ATOM 0 HA SER A 8 -0.055 20.843 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.851 21.796 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.540 20.300 -0.618 1.00 0.00 H new ATOM 0 HG SER A 8 1.162 21.849 -0.326 1.00 0.00 H new ATOM 131 N ASN A 9 1.750 19.138 -3.598 1.00 0.00 N ATOM 132 CA ASN A 9 2.807 18.133 -3.651 1.00 0.00 C ATOM 133 C ASN A 9 3.518 18.076 -2.306 1.00 0.00 C ATOM 134 O ASN A 9 3.973 17.020 -1.867 1.00 0.00 O ATOM 135 CB ASN A 9 3.806 18.440 -4.771 1.00 0.00 C ATOM 136 CG ASN A 9 3.188 18.344 -6.158 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.127 17.267 -6.749 1.00 0.00 O ATOM 138 ND2 ASN A 9 2.747 19.472 -6.700 1.00 0.00 N ATOM 0 H ASN A 9 1.877 19.922 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 9 2.357 17.164 -3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.209 19.442 -4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.644 17.747 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.341 19.464 -7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.813 20.347 -6.181 1.00 0.00 H new ATOM 145 N THR A 10 3.581 19.225 -1.648 1.00 0.00 N ATOM 146 CA THR A 10 4.145 19.321 -0.316 1.00 0.00 C ATOM 147 C THR A 10 3.265 18.577 0.694 1.00 0.00 C ATOM 148 O THR A 10 3.770 17.921 1.604 1.00 0.00 O ATOM 149 CB THR A 10 4.291 20.799 0.101 1.00 0.00 C ATOM 150 OG1 THR A 10 5.011 21.513 -0.916 1.00 0.00 O ATOM 151 CG2 THR A 10 5.019 20.932 1.432 1.00 0.00 C ATOM 0 H THR A 10 3.243 20.111 -2.023 1.00 0.00 H new ATOM 0 HA THR A 10 5.132 18.859 -0.328 1.00 0.00 H new ATOM 0 HB THR A 10 3.293 21.221 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.103 22.453 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.105 21.986 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.459 20.408 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.015 20.497 1.347 1.00 0.00 H new ATOM 159 N GLN A 11 1.946 18.672 0.510 1.00 0.00 N ATOM 160 CA GLN A 11 0.991 17.976 1.372 1.00 0.00 C ATOM 161 C GLN A 11 1.213 16.472 1.296 1.00 0.00 C ATOM 162 O GLN A 11 1.403 15.812 2.316 1.00 0.00 O ATOM 163 CB GLN A 11 -0.449 18.309 0.962 1.00 0.00 C ATOM 164 CG GLN A 11 -1.510 17.589 1.783 1.00 0.00 C ATOM 165 CD GLN A 11 -1.506 18.009 3.240 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.810 17.423 4.068 1.00 0.00 O ATOM 167 NE2 GLN A 11 -2.282 19.032 3.563 1.00 0.00 N ATOM 0 H GLN A 11 1.515 19.226 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 11 1.149 18.310 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.602 19.384 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.584 18.055 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.492 17.788 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.346 16.513 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.844 19.492 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.317 19.361 4.528 1.00 0.00 H new ATOM 176 N VAL A 12 1.211 15.944 0.077 1.00 0.00 N ATOM 177 CA VAL A 12 1.389 14.514 -0.139 1.00 0.00 C ATOM 178 C VAL A 12 2.701 14.027 0.476 1.00 0.00 C ATOM 179 O VAL A 12 2.712 13.048 1.216 1.00 0.00 O ATOM 180 CB VAL A 12 1.355 14.160 -1.645 1.00 0.00 C ATOM 181 CG1 VAL A 12 1.512 12.662 -1.853 1.00 0.00 C ATOM 182 CG2 VAL A 12 0.063 14.654 -2.285 1.00 0.00 C ATOM 0 H VAL A 12 1.088 16.487 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 12 0.558 14.009 0.353 1.00 0.00 H new ATOM 0 HB VAL A 12 2.193 14.662 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.485 12.438 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.465 12.335 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.699 12.138 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.059 14.395 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.789 14.185 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.006 15.736 -2.176 1.00 0.00 H new ATOM 192 N GLU A 13 3.792 14.734 0.187 1.00 0.00 N ATOM 193 CA GLU A 13 5.108 14.383 0.725 1.00 0.00 C ATOM 194 C GLU A 13 5.082 14.359 2.255 1.00 0.00 C ATOM 195 O GLU A 13 5.590 13.428 2.885 1.00 0.00 O ATOM 196 CB GLU A 13 6.158 15.390 0.247 1.00 0.00 C ATOM 197 CG GLU A 13 7.579 15.049 0.670 1.00 0.00 C ATOM 198 CD GLU A 13 8.196 13.942 -0.162 1.00 0.00 C ATOM 199 OE1 GLU A 13 8.019 12.758 0.182 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.880 14.260 -1.160 1.00 0.00 O ATOM 0 H GLU A 13 3.792 15.555 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 13 5.368 13.388 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.118 15.452 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.902 16.377 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.199 15.942 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.578 14.751 1.718 1.00 0.00 H new ATOM 207 N SER A 14 4.475 15.383 2.845 1.00 0.00 N ATOM 208 CA SER A 14 4.386 15.490 4.296 1.00 0.00 C ATOM 209 C SER A 14 3.528 14.366 4.872 1.00 0.00 C ATOM 210 O SER A 14 3.851 13.801 5.918 1.00 0.00 O ATOM 211 CB SER A 14 3.812 16.853 4.691 1.00 0.00 C ATOM 212 OG SER A 14 4.596 17.910 4.152 1.00 0.00 O ATOM 0 H SER A 14 4.036 16.152 2.339 1.00 0.00 H new ATOM 0 HA SER A 14 5.390 15.397 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.786 16.937 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.779 16.937 5.777 1.00 0.00 H new ATOM 0 HG SER A 14 4.228 18.181 3.285 1.00 0.00 H new ATOM 218 N LEU A 15 2.444 14.041 4.178 1.00 0.00 N ATOM 219 CA LEU A 15 1.566 12.958 4.592 1.00 0.00 C ATOM 220 C LEU A 15 2.328 11.637 4.585 1.00 0.00 C ATOM 221 O LEU A 15 2.274 10.878 5.552 1.00 0.00 O ATOM 222 CB LEU A 15 0.344 12.879 3.667 1.00 0.00 C ATOM 223 CG LEU A 15 -0.745 11.885 4.088 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.316 12.259 5.446 1.00 0.00 C ATOM 225 CD2 LEU A 15 -1.851 11.839 3.044 1.00 0.00 C ATOM 0 H LEU A 15 2.153 14.515 3.323 1.00 0.00 H new ATOM 0 HA LEU A 15 1.217 13.155 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.102 13.871 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.685 12.614 2.666 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.295 10.895 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.087 11.541 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.520 12.247 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.751 13.257 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.617 11.129 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.295 12.829 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.435 11.526 2.087 1.00 0.00 H new ATOM 237 N ILE A 16 3.060 11.388 3.497 1.00 0.00 N ATOM 238 CA ILE A 16 3.881 10.186 3.369 1.00 0.00 C ATOM 239 C ILE A 16 4.850 10.075 4.540 1.00 0.00 C ATOM 240 O ILE A 16 4.936 9.038 5.202 1.00 0.00 O ATOM 241 CB ILE A 16 4.697 10.187 2.051 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.772 10.285 0.835 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.569 8.942 1.950 1.00 0.00 C ATOM 244 CD1 ILE A 16 2.678 9.245 0.808 1.00 0.00 C ATOM 0 H ILE A 16 3.100 12.008 2.688 1.00 0.00 H new ATOM 0 HA ILE A 16 3.200 9.335 3.362 1.00 0.00 H new ATOM 0 HB ILE A 16 5.346 11.063 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.318 11.276 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.370 10.192 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.131 8.966 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.262 8.914 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.938 8.053 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.067 9.383 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.122 8.250 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.054 9.351 1.695 1.00 0.00 H new ATOM 256 N ALA A 17 5.555 11.169 4.798 1.00 0.00 N ATOM 257 CA ALA A 17 6.543 11.217 5.861 1.00 0.00 C ATOM 258 C ALA A 17 5.921 10.912 7.218 1.00 0.00 C ATOM 259 O ALA A 17 6.491 10.162 8.007 1.00 0.00 O ATOM 260 CB ALA A 17 7.224 12.578 5.882 1.00 0.00 C ATOM 0 H ALA A 17 5.457 12.041 4.278 1.00 0.00 H new ATOM 0 HA ALA A 17 7.289 10.448 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.963 12.603 6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.719 12.752 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.479 13.355 6.052 1.00 0.00 H new ATOM 266 N GLU A 18 4.742 11.469 7.478 1.00 0.00 N ATOM 267 CA GLU A 18 4.093 11.313 8.774 1.00 0.00 C ATOM 268 C GLU A 18 3.690 9.857 9.003 1.00 0.00 C ATOM 269 O GLU A 18 3.854 9.319 10.097 1.00 0.00 O ATOM 270 CB GLU A 18 2.872 12.231 8.871 1.00 0.00 C ATOM 271 CG GLU A 18 2.278 12.314 10.267 1.00 0.00 C ATOM 272 CD GLU A 18 1.109 13.275 10.345 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.342 14.502 10.394 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.045 12.813 10.347 1.00 0.00 O ATOM 0 H GLU A 18 4.217 12.032 6.808 1.00 0.00 H new ATOM 0 HA GLU A 18 4.802 11.596 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.155 13.232 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.106 11.876 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.950 11.322 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.050 12.629 10.969 1.00 0.00 H new ATOM 281 N ILE A 19 3.187 9.222 7.952 1.00 0.00 N ATOM 282 CA ILE A 19 2.806 7.816 8.014 1.00 0.00 C ATOM 283 C ILE A 19 4.031 6.947 8.305 1.00 0.00 C ATOM 284 O ILE A 19 3.980 6.020 9.123 1.00 0.00 O ATOM 285 CB ILE A 19 2.153 7.365 6.689 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.956 8.257 6.361 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.714 5.912 6.776 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.376 8.013 4.984 1.00 0.00 C ATOM 0 H ILE A 19 3.033 9.660 7.044 1.00 0.00 H new ATOM 0 HA ILE A 19 2.081 7.698 8.819 1.00 0.00 H new ATOM 0 HB ILE A 19 2.891 7.456 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.178 8.095 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.260 9.301 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.256 5.613 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.581 5.281 6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.990 5.798 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.469 8.681 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.139 8.203 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.040 6.979 4.909 1.00 0.00 H new ATOM 300 N LEU A 20 5.137 7.273 7.647 1.00 0.00 N ATOM 301 CA LEU A 20 6.390 6.557 7.852 1.00 0.00 C ATOM 302 C LEU A 20 6.908 6.776 9.270 1.00 0.00 C ATOM 303 O LEU A 20 7.510 5.879 9.863 1.00 0.00 O ATOM 304 CB LEU A 20 7.439 7.007 6.835 1.00 0.00 C ATOM 305 CG LEU A 20 7.068 6.769 5.368 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.164 7.284 4.453 1.00 0.00 C ATOM 307 CD2 LEU A 20 6.810 5.291 5.109 1.00 0.00 C ATOM 0 H LEU A 20 5.191 8.030 6.966 1.00 0.00 H new ATOM 0 HA LEU A 20 6.200 5.493 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.627 8.071 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.373 6.487 7.046 1.00 0.00 H new ATOM 0 HG LEU A 20 6.151 7.318 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.884 7.107 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.300 8.353 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.096 6.762 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.548 5.146 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.708 4.719 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.989 4.949 5.739 1.00 0.00 H new ATOM 319 N VAL A 21 6.666 7.968 9.811 1.00 0.00 N ATOM 320 CA VAL A 21 7.041 8.275 11.185 1.00 0.00 C ATOM 321 C VAL A 21 6.302 7.360 12.157 1.00 0.00 C ATOM 322 O VAL A 21 6.848 6.982 13.185 1.00 0.00 O ATOM 323 CB VAL A 21 6.766 9.758 11.543 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.963 10.016 13.032 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.670 10.674 10.736 1.00 0.00 C ATOM 0 H VAL A 21 6.212 8.736 9.317 1.00 0.00 H new ATOM 0 HA VAL A 21 8.114 8.104 11.273 1.00 0.00 H new ATOM 0 HB VAL A 21 5.726 9.971 11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.762 11.065 13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.278 9.390 13.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.990 9.778 13.310 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.465 11.712 10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.712 10.443 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.483 10.525 9.673 1.00 0.00 H new ATOM 335 N VAL A 22 5.071 6.990 11.813 1.00 0.00 N ATOM 336 CA VAL A 22 4.297 6.052 12.624 1.00 0.00 C ATOM 337 C VAL A 22 4.961 4.680 12.652 1.00 0.00 C ATOM 338 O VAL A 22 5.173 4.103 13.725 1.00 0.00 O ATOM 339 CB VAL A 22 2.849 5.907 12.112 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.122 4.776 12.828 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.096 7.210 12.292 1.00 0.00 C ATOM 0 H VAL A 22 4.588 7.325 10.979 1.00 0.00 H new ATOM 0 HA VAL A 22 4.266 6.462 13.634 1.00 0.00 H new ATOM 0 HB VAL A 22 2.890 5.663 11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.104 4.698 12.446 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.648 3.837 12.653 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.093 4.982 13.898 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.076 7.094 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.075 7.475 13.349 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.595 7.999 11.730 1.00 0.00 H new ATOM 351 N LEU A 23 5.274 4.152 11.472 1.00 0.00 N ATOM 352 CA LEU A 23 5.994 2.880 11.372 1.00 0.00 C ATOM 353 C LEU A 23 7.309 2.931 12.158 1.00 0.00 C ATOM 354 O LEU A 23 7.642 1.999 12.894 1.00 0.00 O ATOM 355 CB LEU A 23 6.270 2.533 9.906 1.00 0.00 C ATOM 356 CG LEU A 23 5.022 2.278 9.056 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.406 2.033 7.604 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.239 1.092 9.605 1.00 0.00 C ATOM 0 H LEU A 23 5.043 4.580 10.575 1.00 0.00 H new ATOM 0 HA LEU A 23 5.364 2.103 11.805 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.838 3.347 9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.903 1.646 9.871 1.00 0.00 H new ATOM 0 HG LEU A 23 4.388 3.164 9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.507 1.854 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.927 2.907 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.060 1.163 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.355 0.924 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.868 0.202 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.933 1.301 10.630 1.00 0.00 H new ATOM 370 N GLU A 24 8.034 4.035 12.014 1.00 0.00 N ATOM 371 CA GLU A 24 9.297 4.235 12.718 1.00 0.00 C ATOM 372 C GLU A 24 9.072 4.371 14.228 1.00 0.00 C ATOM 373 O GLU A 24 9.895 3.939 15.034 1.00 0.00 O ATOM 374 CB GLU A 24 9.989 5.490 12.185 1.00 0.00 C ATOM 375 CG GLU A 24 11.340 5.767 12.819 1.00 0.00 C ATOM 376 CD GLU A 24 11.863 7.146 12.482 1.00 0.00 C ATOM 377 OE1 GLU A 24 11.460 8.116 13.158 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.679 7.272 11.547 1.00 0.00 O ATOM 0 H GLU A 24 7.766 4.812 11.410 1.00 0.00 H new ATOM 0 HA GLU A 24 9.928 3.364 12.544 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.118 5.391 11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.339 6.349 12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.258 5.667 13.901 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.057 5.017 12.483 1.00 0.00 H new ATOM 385 N LYS A 25 7.938 4.958 14.591 1.00 0.00 N ATOM 386 CA LYS A 25 7.605 5.248 15.984 1.00 0.00 C ATOM 387 C LYS A 25 7.499 3.967 16.802 1.00 0.00 C ATOM 388 O LYS A 25 7.858 3.935 17.979 1.00 0.00 O ATOM 389 CB LYS A 25 6.287 6.024 16.034 1.00 0.00 C ATOM 390 CG LYS A 25 5.938 6.597 17.396 1.00 0.00 C ATOM 391 CD LYS A 25 4.679 7.447 17.314 1.00 0.00 C ATOM 392 CE LYS A 25 4.369 8.142 18.631 1.00 0.00 C ATOM 393 NZ LYS A 25 4.066 7.177 19.717 1.00 0.00 N ATOM 0 H LYS A 25 7.220 5.248 13.927 1.00 0.00 H new ATOM 0 HA LYS A 25 8.402 5.851 16.419 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.334 6.840 15.313 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.480 5.364 15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.790 5.787 18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.767 7.200 17.766 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.798 8.195 16.530 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.836 6.818 17.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.219 8.759 18.923 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.520 8.812 18.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.811 7.696 20.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.271 6.570 19.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.903 6.587 19.901 1.00 0.00 H new ATOM 407 N HIS A 26 7.008 2.909 16.173 1.00 0.00 N ATOM 408 CA HIS A 26 6.886 1.620 16.844 1.00 0.00 C ATOM 409 C HIS A 26 8.132 0.780 16.613 1.00 0.00 C ATOM 410 O HIS A 26 8.286 -0.287 17.207 1.00 0.00 O ATOM 411 CB HIS A 26 5.654 0.857 16.351 1.00 0.00 C ATOM 412 CG HIS A 26 4.358 1.419 16.842 1.00 0.00 C ATOM 413 ND1 HIS A 26 3.698 0.928 17.946 1.00 0.00 N ATOM 414 CD2 HIS A 26 3.602 2.438 16.375 1.00 0.00 C ATOM 415 CE1 HIS A 26 2.593 1.621 18.140 1.00 0.00 C ATOM 416 NE2 HIS A 26 2.511 2.544 17.201 1.00 0.00 N ATOM 0 H HIS A 26 6.689 2.916 15.204 1.00 0.00 H new ATOM 0 HA HIS A 26 6.774 1.811 17.911 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.650 0.858 15.261 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.732 -0.183 16.668 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.816 3.053 15.514 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.877 1.460 18.933 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.759 3.226 17.104 1.00 0.00 H new ATOM 425 N LYS A 27 9.016 1.284 15.758 1.00 0.00 N ATOM 426 CA LYS A 27 10.216 0.564 15.350 1.00 0.00 C ATOM 427 C LYS A 27 9.839 -0.770 14.715 1.00 0.00 C ATOM 428 O LYS A 27 9.970 -1.837 15.322 1.00 0.00 O ATOM 429 CB LYS A 27 11.183 0.358 16.525 1.00 0.00 C ATOM 430 CG LYS A 27 12.472 -0.353 16.138 1.00 0.00 C ATOM 431 CD LYS A 27 13.415 -0.496 17.320 1.00 0.00 C ATOM 432 CE LYS A 27 14.642 -1.320 16.957 1.00 0.00 C ATOM 433 NZ LYS A 27 15.636 -1.352 18.061 1.00 0.00 N ATOM 0 H LYS A 27 8.920 2.204 15.328 1.00 0.00 H new ATOM 0 HA LYS A 27 10.736 1.171 14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.429 1.328 16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.680 -0.218 17.302 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.237 -1.340 15.739 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.968 0.202 15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.726 0.492 17.660 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.890 -0.969 18.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.337 -2.338 16.714 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.106 -0.905 16.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.456 -1.923 17.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.947 -0.383 18.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.201 -1.772 18.907 1.00 0.00 H new ATOM 447 N ALA A 28 9.322 -0.690 13.503 1.00 0.00 N ATOM 448 CA ALA A 28 8.958 -1.870 12.748 1.00 0.00 C ATOM 449 C ALA A 28 9.888 -2.028 11.557 1.00 0.00 C ATOM 450 O ALA A 28 10.081 -1.089 10.786 1.00 0.00 O ATOM 451 CB ALA A 28 7.508 -1.784 12.291 1.00 0.00 C ATOM 0 H ALA A 28 9.144 0.190 13.018 1.00 0.00 H new ATOM 0 HA ALA A 28 9.059 -2.746 13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.251 -2.679 11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.856 -1.706 13.161 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.377 -0.905 11.659 1.00 0.00 H new ATOM 457 N PRO A 29 10.504 -3.210 11.406 1.00 0.00 N ATOM 458 CA PRO A 29 11.385 -3.498 10.271 1.00 0.00 C ATOM 459 C PRO A 29 10.639 -3.394 8.945 1.00 0.00 C ATOM 460 O PRO A 29 9.406 -3.426 8.920 1.00 0.00 O ATOM 461 CB PRO A 29 11.837 -4.943 10.516 1.00 0.00 C ATOM 462 CG PRO A 29 11.598 -5.181 11.969 1.00 0.00 C ATOM 463 CD PRO A 29 10.397 -4.355 12.326 1.00 0.00 C ATOM 0 HA PRO A 29 12.213 -2.793 10.204 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.270 -5.643 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.889 -5.076 10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.419 -6.238 12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.465 -4.887 12.561 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.468 -4.907 12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.419 -4.039 13.369 1.00 0.00 H new ATOM 471 N THR A 30 11.382 -3.271 7.849 1.00 0.00 N ATOM 472 CA THR A 30 10.790 -3.169 6.518 1.00 0.00 C ATOM 473 C THR A 30 9.801 -4.310 6.280 1.00 0.00 C ATOM 474 O THR A 30 8.728 -4.112 5.714 1.00 0.00 O ATOM 475 CB THR A 30 11.889 -3.212 5.442 1.00 0.00 C ATOM 476 OG1 THR A 30 13.055 -2.537 5.930 1.00 0.00 O ATOM 477 CG2 THR A 30 11.421 -2.549 4.151 1.00 0.00 C ATOM 0 H THR A 30 12.401 -3.239 7.857 1.00 0.00 H new ATOM 0 HA THR A 30 10.258 -2.220 6.455 1.00 0.00 H new ATOM 0 HB THR A 30 12.121 -4.255 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.841 -3.108 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.218 -2.594 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.542 -3.071 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.168 -1.507 4.348 1.00 0.00 H new ATOM 485 N ASP A 31 10.174 -5.491 6.757 1.00 0.00 N ATOM 486 CA ASP A 31 9.337 -6.686 6.665 1.00 0.00 C ATOM 487 C ASP A 31 7.966 -6.464 7.314 1.00 0.00 C ATOM 488 O ASP A 31 6.926 -6.663 6.683 1.00 0.00 O ATOM 489 CB ASP A 31 10.071 -7.851 7.336 1.00 0.00 C ATOM 490 CG ASP A 31 9.240 -9.113 7.443 1.00 0.00 C ATOM 491 OD1 ASP A 31 8.900 -9.700 6.399 1.00 0.00 O ATOM 492 OD2 ASP A 31 8.952 -9.533 8.584 1.00 0.00 O ATOM 0 H ASP A 31 11.068 -5.650 7.221 1.00 0.00 H new ATOM 0 HA ASP A 31 9.158 -6.915 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.978 -8.070 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.382 -7.546 8.335 1.00 0.00 H new ATOM 497 N LEU A 32 7.971 -6.012 8.563 1.00 0.00 N ATOM 498 CA LEU A 32 6.729 -5.787 9.302 1.00 0.00 C ATOM 499 C LEU A 32 5.981 -4.572 8.752 1.00 0.00 C ATOM 500 O LEU A 32 4.750 -4.535 8.764 1.00 0.00 O ATOM 501 CB LEU A 32 7.025 -5.601 10.798 1.00 0.00 C ATOM 502 CG LEU A 32 5.796 -5.493 11.716 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.882 -6.699 11.542 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.234 -5.357 13.170 1.00 0.00 C ATOM 0 H LEU A 32 8.819 -5.794 9.087 1.00 0.00 H new ATOM 0 HA LEU A 32 6.093 -6.663 9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.634 -6.440 11.135 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.627 -4.700 10.921 1.00 0.00 H new ATOM 0 HG LEU A 32 5.235 -4.601 11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.020 -6.600 12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.543 -6.753 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.428 -7.609 11.793 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.354 -5.281 13.809 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.818 -6.232 13.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.844 -4.461 13.284 1.00 0.00 H new ATOM 516 N SER A 33 6.728 -3.589 8.264 1.00 0.00 N ATOM 517 CA SER A 33 6.136 -2.393 7.678 1.00 0.00 C ATOM 518 C SER A 33 5.342 -2.745 6.420 1.00 0.00 C ATOM 519 O SER A 33 4.214 -2.285 6.245 1.00 0.00 O ATOM 520 CB SER A 33 7.228 -1.370 7.355 1.00 0.00 C ATOM 521 OG SER A 33 7.922 -0.983 8.529 1.00 0.00 O ATOM 0 H SER A 33 7.748 -3.597 8.263 1.00 0.00 H new ATOM 0 HA SER A 33 5.449 -1.955 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.929 -1.795 6.637 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.783 -0.493 6.885 1.00 0.00 H new ATOM 0 HG SER A 33 8.512 -1.711 8.816 1.00 0.00 H new ATOM 527 N LEU A 34 5.934 -3.573 5.562 1.00 0.00 N ATOM 528 CA LEU A 34 5.259 -4.054 4.360 1.00 0.00 C ATOM 529 C LEU A 34 3.972 -4.789 4.733 1.00 0.00 C ATOM 530 O LEU A 34 2.953 -4.647 4.062 1.00 0.00 O ATOM 531 CB LEU A 34 6.176 -4.993 3.567 1.00 0.00 C ATOM 532 CG LEU A 34 7.426 -4.345 2.965 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.339 -5.406 2.372 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.045 -3.327 1.902 1.00 0.00 C ATOM 0 H LEU A 34 6.884 -3.926 5.678 1.00 0.00 H new ATOM 0 HA LEU A 34 5.013 -3.192 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.490 -5.805 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.597 -5.441 2.760 1.00 0.00 H new ATOM 0 HG LEU A 34 7.960 -3.828 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.223 -4.930 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.642 -6.103 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.808 -5.947 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.948 -2.879 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.488 -3.822 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.426 -2.549 2.349 1.00 0.00 H new ATOM 546 N MET A 35 4.029 -5.570 5.810 1.00 0.00 N ATOM 547 CA MET A 35 2.851 -6.282 6.306 1.00 0.00 C ATOM 548 C MET A 35 1.755 -5.310 6.721 1.00 0.00 C ATOM 549 O MET A 35 0.631 -5.366 6.216 1.00 0.00 O ATOM 550 CB MET A 35 3.197 -7.154 7.514 1.00 0.00 C ATOM 551 CG MET A 35 4.062 -8.359 7.202 1.00 0.00 C ATOM 552 SD MET A 35 4.287 -9.413 8.647 1.00 0.00 S ATOM 553 CE MET A 35 5.231 -10.755 7.938 1.00 0.00 C ATOM 0 H MET A 35 4.876 -5.726 6.356 1.00 0.00 H new ATOM 0 HA MET A 35 2.499 -6.910 5.488 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.709 -6.539 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.270 -7.499 7.973 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.605 -8.936 6.398 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.035 -8.025 6.841 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.450 -11.493 8.710 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.654 -11.224 7.141 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.165 -10.367 7.531 1.00 0.00 H new ATOM 563 N ALA A 36 2.097 -4.427 7.651 1.00 0.00 N ATOM 564 CA ALA A 36 1.137 -3.500 8.230 1.00 0.00 C ATOM 565 C ALA A 36 0.568 -2.554 7.181 1.00 0.00 C ATOM 566 O ALA A 36 -0.645 -2.388 7.080 1.00 0.00 O ATOM 567 CB ALA A 36 1.785 -2.711 9.358 1.00 0.00 C ATOM 0 H ALA A 36 3.042 -4.335 8.022 1.00 0.00 H new ATOM 0 HA ALA A 36 0.309 -4.084 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.057 -2.020 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.129 -3.398 10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.634 -2.149 8.968 1.00 0.00 H new ATOM 573 N LEU A 37 1.442 -1.955 6.386 1.00 0.00 N ATOM 574 CA LEU A 37 1.010 -0.980 5.401 1.00 0.00 C ATOM 575 C LEU A 37 0.339 -1.661 4.214 1.00 0.00 C ATOM 576 O LEU A 37 -0.535 -1.081 3.576 1.00 0.00 O ATOM 577 CB LEU A 37 2.191 -0.094 4.970 1.00 0.00 C ATOM 578 CG LEU A 37 2.580 -0.108 3.487 1.00 0.00 C ATOM 579 CD1 LEU A 37 3.357 1.151 3.150 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.425 -1.329 3.153 1.00 0.00 C ATOM 0 H LEU A 37 2.447 -2.126 6.404 1.00 0.00 H new ATOM 0 HA LEU A 37 0.262 -0.331 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.959 0.934 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.065 -0.392 5.550 1.00 0.00 H new ATOM 0 HG LEU A 37 1.665 -0.149 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.632 1.138 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.739 2.025 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.260 1.196 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.686 -1.312 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.336 -1.316 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.859 -2.234 3.373 1.00 0.00 H new ATOM 592 N GLY A 38 0.732 -2.900 3.939 1.00 0.00 N ATOM 593 CA GLY A 38 0.106 -3.657 2.875 1.00 0.00 C ATOM 594 C GLY A 38 -1.339 -3.964 3.191 1.00 0.00 C ATOM 595 O GLY A 38 -2.228 -3.712 2.380 1.00 0.00 O ATOM 0 H GLY A 38 1.474 -3.393 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.164 -3.094 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.651 -4.588 2.720 1.00 0.00 H new ATOM 599 N ASN A 39 -1.573 -4.482 4.392 1.00 0.00 N ATOM 600 CA ASN A 39 -2.927 -4.769 4.847 1.00 0.00 C ATOM 601 C ASN A 39 -3.710 -3.479 5.030 1.00 0.00 C ATOM 602 O ASN A 39 -4.932 -3.463 4.901 1.00 0.00 O ATOM 603 CB ASN A 39 -2.910 -5.562 6.157 1.00 0.00 C ATOM 604 CG ASN A 39 -2.615 -7.035 5.951 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.529 -7.841 5.771 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.343 -7.401 5.985 1.00 0.00 N ATOM 0 H ASN A 39 -0.843 -4.711 5.067 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.416 -5.376 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.160 -5.136 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.875 -5.456 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.091 -8.381 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.615 -6.703 6.137 1.00 0.00 H new ATOM 613 N CYS A 40 -2.998 -2.400 5.333 1.00 0.00 N ATOM 614 CA CYS A 40 -3.611 -1.087 5.470 1.00 0.00 C ATOM 615 C CYS A 40 -4.260 -0.669 4.153 1.00 0.00 C ATOM 616 O CYS A 40 -5.430 -0.282 4.129 1.00 0.00 O ATOM 617 CB CYS A 40 -2.568 -0.052 5.901 1.00 0.00 C ATOM 618 SG CYS A 40 -3.235 1.600 6.209 1.00 0.00 S ATOM 0 H CYS A 40 -1.990 -2.411 5.489 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.382 -1.141 6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.076 -0.406 6.807 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.802 0.017 5.128 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.373 1.730 5.595 1.00 0.00 H new ATOM 624 N VAL A 41 -3.495 -0.769 3.062 1.00 0.00 N ATOM 625 CA VAL A 41 -4.004 -0.455 1.723 1.00 0.00 C ATOM 626 C VAL A 41 -5.301 -1.211 1.430 1.00 0.00 C ATOM 627 O VAL A 41 -6.316 -0.608 1.077 1.00 0.00 O ATOM 628 CB VAL A 41 -2.971 -0.796 0.622 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.509 -0.432 -0.755 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.648 -0.091 0.879 1.00 0.00 C ATOM 0 H VAL A 41 -2.519 -1.065 3.080 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.196 0.618 1.711 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.795 -1.871 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.766 -0.680 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.425 -0.991 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.722 0.636 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.940 -0.348 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.806 0.987 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.249 -0.407 1.843 1.00 0.00 H new ATOM 640 N THR A 42 -5.265 -2.528 1.591 1.00 0.00 N ATOM 641 CA THR A 42 -6.425 -3.364 1.318 1.00 0.00 C ATOM 642 C THR A 42 -7.582 -3.021 2.259 1.00 0.00 C ATOM 643 O THR A 42 -8.740 -2.971 1.849 1.00 0.00 O ATOM 644 CB THR A 42 -6.072 -4.855 1.474 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.701 -5.063 1.115 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.958 -5.721 0.592 1.00 0.00 C ATOM 0 H THR A 42 -4.443 -3.040 1.910 1.00 0.00 H new ATOM 0 HA THR A 42 -6.732 -3.171 0.290 1.00 0.00 H new ATOM 0 HB THR A 42 -6.234 -5.138 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.477 -6.012 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.687 -6.769 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.002 -5.578 0.873 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.821 -5.437 -0.451 1.00 0.00 H new ATOM 654 N HIS A 43 -7.248 -2.750 3.517 1.00 0.00 N ATOM 655 CA HIS A 43 -8.249 -2.468 4.540 1.00 0.00 C ATOM 656 C HIS A 43 -8.954 -1.138 4.263 1.00 0.00 C ATOM 657 O HIS A 43 -10.080 -0.918 4.711 1.00 0.00 O ATOM 658 CB HIS A 43 -7.589 -2.456 5.922 1.00 0.00 C ATOM 659 CG HIS A 43 -8.553 -2.526 7.067 1.00 0.00 C ATOM 660 ND1 HIS A 43 -8.924 -3.711 7.669 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.197 -1.549 7.742 1.00 0.00 C ATOM 662 CE1 HIS A 43 -9.753 -3.456 8.660 1.00 0.00 C ATOM 663 NE2 HIS A 43 -9.935 -2.153 8.728 1.00 0.00 N ATOM 0 H HIS A 43 -6.286 -2.720 3.854 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.004 -3.254 4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.901 -3.298 5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.993 -1.549 6.019 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.141 -0.489 7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.207 -4.191 9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.528 -1.672 9.404 1.00 0.00 H new ATOM 672 N LEU A 44 -8.286 -0.253 3.532 1.00 0.00 N ATOM 673 CA LEU A 44 -8.890 1.007 3.113 1.00 0.00 C ATOM 674 C LEU A 44 -9.995 0.747 2.099 1.00 0.00 C ATOM 675 O LEU A 44 -11.059 1.368 2.150 1.00 0.00 O ATOM 676 CB LEU A 44 -7.840 1.941 2.509 1.00 0.00 C ATOM 677 CG LEU A 44 -6.821 2.504 3.499 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.754 3.298 2.764 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.514 3.375 4.538 1.00 0.00 C ATOM 0 H LEU A 44 -7.325 -0.385 3.217 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.316 1.489 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.304 1.402 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.352 2.774 2.027 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.340 1.672 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.035 3.693 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.240 2.648 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.220 4.123 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.774 3.768 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.019 4.203 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.246 2.779 5.083 1.00 0.00 H new ATOM 691 N LEU A 45 -9.741 -0.188 1.193 1.00 0.00 N ATOM 692 CA LEU A 45 -10.725 -0.577 0.194 1.00 0.00 C ATOM 693 C LEU A 45 -11.929 -1.222 0.864 1.00 0.00 C ATOM 694 O LEU A 45 -13.070 -0.988 0.473 1.00 0.00 O ATOM 695 CB LEU A 45 -10.107 -1.548 -0.816 1.00 0.00 C ATOM 696 CG LEU A 45 -8.989 -0.964 -1.684 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.360 -2.046 -2.544 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.524 0.160 -2.555 1.00 0.00 C ATOM 0 H LEU A 45 -8.857 -0.693 1.130 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.052 0.318 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.713 -2.408 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.897 -1.918 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.221 -0.557 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.568 -1.612 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.941 -2.822 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.119 -2.482 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.716 0.563 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.311 -0.225 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.929 0.949 -1.922 1.00 0.00 H new ATOM 710 N GLU A 46 -11.662 -2.015 1.893 1.00 0.00 N ATOM 711 CA GLU A 46 -12.712 -2.723 2.622 1.00 0.00 C ATOM 712 C GLU A 46 -13.660 -1.758 3.346 1.00 0.00 C ATOM 713 O GLU A 46 -14.794 -2.119 3.663 1.00 0.00 O ATOM 714 CB GLU A 46 -12.089 -3.694 3.631 1.00 0.00 C ATOM 715 CG GLU A 46 -11.227 -4.785 3.004 1.00 0.00 C ATOM 716 CD GLU A 46 -12.031 -5.871 2.305 1.00 0.00 C ATOM 717 OE1 GLU A 46 -12.639 -6.714 3.007 1.00 0.00 O ATOM 718 OE2 GLU A 46 -12.053 -5.896 1.059 1.00 0.00 O ATOM 0 H GLU A 46 -10.720 -2.186 2.246 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.299 -3.279 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.481 -3.127 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.887 -4.164 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.546 -4.330 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.613 -5.242 3.780 1.00 0.00 H new ATOM 725 N ARG A 47 -13.210 -0.532 3.607 1.00 0.00 N ATOM 726 CA ARG A 47 -14.039 0.421 4.344 1.00 0.00 C ATOM 727 C ARG A 47 -14.627 1.514 3.445 1.00 0.00 C ATOM 728 O ARG A 47 -15.832 1.759 3.476 1.00 0.00 O ATOM 729 CB ARG A 47 -13.271 1.061 5.513 1.00 0.00 C ATOM 730 CG ARG A 47 -11.991 1.786 5.119 1.00 0.00 C ATOM 731 CD ARG A 47 -11.471 2.664 6.250 1.00 0.00 C ATOM 732 NE ARG A 47 -11.283 1.912 7.490 1.00 0.00 N ATOM 733 CZ ARG A 47 -10.759 2.420 8.609 1.00 0.00 C ATOM 734 NH1 ARG A 47 -10.382 3.693 8.671 1.00 0.00 N ATOM 735 NH2 ARG A 47 -10.642 1.659 9.683 1.00 0.00 N ATOM 0 H ARG A 47 -12.295 -0.180 3.326 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.869 -0.160 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.930 1.767 6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.023 0.283 6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.229 1.056 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.177 2.400 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.524 3.114 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.171 3.481 6.425 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.571 0.934 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.491 4.297 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.984 4.066 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.951 0.687 9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.242 2.043 10.539 1.00 0.00 H new ATOM 749 N LYS A 48 -13.789 2.160 2.639 1.00 0.00 N ATOM 750 CA LYS A 48 -14.228 3.322 1.866 1.00 0.00 C ATOM 751 C LYS A 48 -14.756 2.937 0.490 1.00 0.00 C ATOM 752 O LYS A 48 -15.355 3.763 -0.203 1.00 0.00 O ATOM 753 CB LYS A 48 -13.088 4.336 1.714 1.00 0.00 C ATOM 754 CG LYS A 48 -12.894 5.238 2.926 1.00 0.00 C ATOM 755 CD LYS A 48 -11.838 6.302 2.657 1.00 0.00 C ATOM 756 CE LYS A 48 -11.831 7.383 3.731 1.00 0.00 C ATOM 757 NZ LYS A 48 -11.540 6.831 5.081 1.00 0.00 N ATOM 0 H LYS A 48 -12.811 1.903 2.503 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.048 3.775 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.160 3.797 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.282 4.957 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.839 5.717 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.598 4.637 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.855 5.833 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.022 6.758 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.085 8.137 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.799 7.884 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.579 7.596 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.246 6.105 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.591 6.405 5.085 1.00 0.00 H new ATOM 771 N VAL A 49 -14.552 1.690 0.098 1.00 0.00 N ATOM 772 CA VAL A 49 -14.904 1.259 -1.247 1.00 0.00 C ATOM 773 C VAL A 49 -15.863 0.068 -1.220 1.00 0.00 C ATOM 774 O VAL A 49 -15.669 -0.886 -0.464 1.00 0.00 O ATOM 775 CB VAL A 49 -13.641 0.881 -2.058 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.988 0.570 -3.503 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.604 1.992 -1.991 1.00 0.00 C ATOM 0 H VAL A 49 -14.147 0.962 0.687 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.402 2.100 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.217 -0.018 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.080 0.308 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.686 -0.266 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.447 1.445 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.725 1.705 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.025 2.908 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.317 2.160 -0.953 1.00 0.00 H new ATOM 787 N PRO A 50 -16.938 0.127 -2.026 1.00 0.00 N ATOM 788 CA PRO A 50 -17.842 -1.010 -2.225 1.00 0.00 C ATOM 789 C PRO A 50 -17.105 -2.198 -2.842 1.00 0.00 C ATOM 790 O PRO A 50 -16.172 -2.011 -3.626 1.00 0.00 O ATOM 791 CB PRO A 50 -18.898 -0.474 -3.196 1.00 0.00 C ATOM 792 CG PRO A 50 -18.807 1.010 -3.089 1.00 0.00 C ATOM 793 CD PRO A 50 -17.366 1.310 -2.791 1.00 0.00 C ATOM 0 HA PRO A 50 -18.267 -1.371 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.702 -0.808 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.894 -0.828 -2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -19.123 1.489 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.456 1.386 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.782 1.435 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.255 2.227 -2.213 1.00 0.00 H new ATOM 801 N SER A 51 -17.536 -3.406 -2.499 1.00 0.00 N ATOM 802 CA SER A 51 -16.861 -4.631 -2.931 1.00 0.00 C ATOM 803 C SER A 51 -16.710 -4.677 -4.451 1.00 0.00 C ATOM 804 O SER A 51 -15.653 -5.043 -4.972 1.00 0.00 O ATOM 805 CB SER A 51 -17.645 -5.850 -2.444 1.00 0.00 C ATOM 806 OG SER A 51 -17.942 -5.739 -1.060 1.00 0.00 O ATOM 0 H SER A 51 -18.358 -3.567 -1.917 1.00 0.00 H new ATOM 0 HA SER A 51 -15.862 -4.642 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.570 -5.944 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.067 -6.756 -2.625 1.00 0.00 H new ATOM 0 HG SER A 51 -18.445 -6.528 -0.769 1.00 0.00 H new ATOM 812 N GLU A 52 -17.765 -4.278 -5.147 1.00 0.00 N ATOM 813 CA GLU A 52 -17.793 -4.274 -6.606 1.00 0.00 C ATOM 814 C GLU A 52 -16.683 -3.395 -7.187 1.00 0.00 C ATOM 815 O GLU A 52 -16.132 -3.693 -8.247 1.00 0.00 O ATOM 816 CB GLU A 52 -19.152 -3.775 -7.118 1.00 0.00 C ATOM 817 CG GLU A 52 -20.363 -4.406 -6.439 1.00 0.00 C ATOM 818 CD GLU A 52 -20.696 -3.758 -5.104 1.00 0.00 C ATOM 819 OE1 GLU A 52 -21.445 -2.761 -5.094 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.207 -4.238 -4.060 1.00 0.00 O ATOM 0 H GLU A 52 -18.628 -3.947 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.632 -5.301 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.200 -2.694 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.213 -3.966 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.226 -4.328 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.174 -5.468 -6.285 1.00 0.00 H new ATOM 827 N SER A 53 -16.355 -2.317 -6.487 1.00 0.00 N ATOM 828 CA SER A 53 -15.387 -1.352 -6.985 1.00 0.00 C ATOM 829 C SER A 53 -13.973 -1.660 -6.485 1.00 0.00 C ATOM 830 O SER A 53 -12.991 -1.260 -7.112 1.00 0.00 O ATOM 831 CB SER A 53 -15.805 0.060 -6.565 1.00 0.00 C ATOM 832 OG SER A 53 -17.127 0.348 -6.996 1.00 0.00 O ATOM 0 H SER A 53 -16.746 -2.090 -5.573 1.00 0.00 H new ATOM 0 HA SER A 53 -15.370 -1.418 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.743 0.154 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.114 0.789 -6.988 1.00 0.00 H new ATOM 0 HG SER A 53 -17.373 1.254 -6.715 1.00 0.00 H new ATOM 838 N ARG A 54 -13.873 -2.379 -5.365 1.00 0.00 N ATOM 839 CA ARG A 54 -12.576 -2.711 -4.769 1.00 0.00 C ATOM 840 C ARG A 54 -11.669 -3.400 -5.779 1.00 0.00 C ATOM 841 O ARG A 54 -10.506 -3.028 -5.941 1.00 0.00 O ATOM 842 CB ARG A 54 -12.748 -3.628 -3.555 1.00 0.00 C ATOM 843 CG ARG A 54 -13.530 -3.015 -2.411 1.00 0.00 C ATOM 844 CD ARG A 54 -13.705 -4.008 -1.275 1.00 0.00 C ATOM 845 NE ARG A 54 -14.603 -3.504 -0.241 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.182 -4.277 0.673 1.00 0.00 C ATOM 847 NH1 ARG A 54 -14.924 -5.578 0.706 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.003 -3.744 1.569 1.00 0.00 N ATOM 0 H ARG A 54 -14.676 -2.743 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.119 -1.773 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.250 -4.541 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.762 -3.917 -3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.012 -2.128 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.507 -2.689 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.097 -4.945 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.733 -4.230 -0.834 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.797 -2.503 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.280 -5.988 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.370 -6.169 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.190 -2.741 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.447 -4.337 2.270 1.00 0.00 H new ATOM 862 N GLN A 55 -12.218 -4.393 -6.466 1.00 0.00 N ATOM 863 CA GLN A 55 -11.450 -5.198 -7.402 1.00 0.00 C ATOM 864 C GLN A 55 -10.907 -4.341 -8.542 1.00 0.00 C ATOM 865 O GLN A 55 -9.759 -4.501 -8.957 1.00 0.00 O ATOM 866 CB GLN A 55 -12.319 -6.320 -7.959 1.00 0.00 C ATOM 867 CG GLN A 55 -11.524 -7.409 -8.649 1.00 0.00 C ATOM 868 CD GLN A 55 -12.410 -8.420 -9.349 1.00 0.00 C ATOM 869 OE1 GLN A 55 -13.499 -8.094 -9.816 1.00 0.00 O ATOM 870 NE2 GLN A 55 -11.949 -9.657 -9.422 1.00 0.00 N ATOM 0 H GLN A 55 -13.199 -4.660 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.604 -5.630 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.896 -6.761 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.034 -5.899 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.850 -6.957 -9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.903 -7.922 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.039 -9.887 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.503 -10.382 -9.879 1.00 0.00 H new ATOM 879 N ALA A 56 -11.735 -3.423 -9.029 1.00 0.00 N ATOM 880 CA ALA A 56 -11.340 -2.527 -10.109 1.00 0.00 C ATOM 881 C ALA A 56 -10.138 -1.687 -9.698 1.00 0.00 C ATOM 882 O ALA A 56 -9.160 -1.567 -10.445 1.00 0.00 O ATOM 883 CB ALA A 56 -12.503 -1.629 -10.502 1.00 0.00 C ATOM 0 H ALA A 56 -12.687 -3.280 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.058 -3.131 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.194 -0.965 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.339 -2.243 -10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.811 -1.035 -9.642 1.00 0.00 H new ATOM 889 N VAL A 57 -10.219 -1.125 -8.499 1.00 0.00 N ATOM 890 CA VAL A 57 -9.153 -0.295 -7.961 1.00 0.00 C ATOM 891 C VAL A 57 -7.889 -1.118 -7.739 1.00 0.00 C ATOM 892 O VAL A 57 -6.788 -0.659 -8.019 1.00 0.00 O ATOM 893 CB VAL A 57 -9.572 0.378 -6.635 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.457 1.261 -6.096 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.846 1.189 -6.824 1.00 0.00 C ATOM 0 H VAL A 57 -11.020 -1.231 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.950 0.486 -8.694 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.766 -0.409 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.778 1.723 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.569 0.656 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.224 2.038 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.124 1.655 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.677 1.962 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.650 0.532 -7.155 1.00 0.00 H new ATOM 905 N ALA A 58 -8.057 -2.342 -7.251 1.00 0.00 N ATOM 906 CA ALA A 58 -6.928 -3.229 -6.992 1.00 0.00 C ATOM 907 C ALA A 58 -6.112 -3.475 -8.257 1.00 0.00 C ATOM 908 O ALA A 58 -4.891 -3.323 -8.255 1.00 0.00 O ATOM 909 CB ALA A 58 -7.415 -4.549 -6.425 1.00 0.00 C ATOM 0 H ALA A 58 -8.967 -2.744 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.282 -2.741 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.562 -5.201 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.948 -4.369 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.086 -5.026 -7.139 1.00 0.00 H new ATOM 915 N GLU A 59 -6.800 -3.845 -9.331 1.00 0.00 N ATOM 916 CA GLU A 59 -6.149 -4.125 -10.608 1.00 0.00 C ATOM 917 C GLU A 59 -5.366 -2.907 -11.103 1.00 0.00 C ATOM 918 O GLU A 59 -4.232 -3.030 -11.573 1.00 0.00 O ATOM 919 CB GLU A 59 -7.193 -4.529 -11.652 1.00 0.00 C ATOM 920 CG GLU A 59 -7.960 -5.798 -11.306 1.00 0.00 C ATOM 921 CD GLU A 59 -7.154 -7.061 -11.532 1.00 0.00 C ATOM 922 OE1 GLU A 59 -6.925 -7.419 -12.704 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.761 -7.717 -10.545 1.00 0.00 O ATOM 0 H GLU A 59 -7.814 -3.959 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.449 -4.947 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.903 -3.711 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.696 -4.668 -12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.270 -5.754 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.868 -5.842 -11.907 1.00 0.00 H new ATOM 930 N GLN A 60 -5.970 -1.730 -10.984 1.00 0.00 N ATOM 931 CA GLN A 60 -5.344 -0.497 -11.454 1.00 0.00 C ATOM 932 C GLN A 60 -4.214 -0.058 -10.528 1.00 0.00 C ATOM 933 O GLN A 60 -3.169 0.394 -10.991 1.00 0.00 O ATOM 934 CB GLN A 60 -6.389 0.609 -11.588 1.00 0.00 C ATOM 935 CG GLN A 60 -7.396 0.341 -12.692 1.00 0.00 C ATOM 936 CD GLN A 60 -8.519 1.357 -12.738 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.343 2.523 -12.377 1.00 0.00 O ATOM 938 NE2 GLN A 60 -9.683 0.920 -13.192 1.00 0.00 N ATOM 0 H GLN A 60 -6.892 -1.602 -10.567 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.910 -0.692 -12.435 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.917 0.719 -10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.885 1.556 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.880 0.337 -13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.820 -0.653 -12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.785 -0.053 -13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.478 1.556 -13.254 1.00 0.00 H new ATOM 947 N PHE A 61 -4.420 -0.199 -9.225 1.00 0.00 N ATOM 948 CA PHE A 61 -3.404 0.169 -8.246 1.00 0.00 C ATOM 949 C PHE A 61 -2.164 -0.699 -8.421 1.00 0.00 C ATOM 950 O PHE A 61 -1.039 -0.204 -8.374 1.00 0.00 O ATOM 951 CB PHE A 61 -3.952 0.023 -6.822 1.00 0.00 C ATOM 952 CG PHE A 61 -3.002 0.489 -5.751 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.079 -0.382 -5.195 1.00 0.00 C ATOM 954 CD2 PHE A 61 -3.038 1.798 -5.295 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.205 0.043 -4.214 1.00 0.00 C ATOM 956 CE2 PHE A 61 -2.167 2.228 -4.314 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.251 1.347 -3.770 1.00 0.00 C ATOM 0 H PHE A 61 -5.282 -0.566 -8.821 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.131 1.212 -8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.881 0.588 -6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.199 -1.024 -6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.043 -1.407 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.756 2.489 -5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.486 -0.646 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.201 3.252 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.573 1.680 -2.998 1.00 0.00 H new ATOM 967 N ALA A 62 -2.383 -1.994 -8.631 1.00 0.00 N ATOM 968 CA ALA A 62 -1.293 -2.930 -8.872 1.00 0.00 C ATOM 969 C ALA A 62 -0.496 -2.509 -10.100 1.00 0.00 C ATOM 970 O ALA A 62 0.738 -2.522 -10.095 1.00 0.00 O ATOM 971 CB ALA A 62 -1.841 -4.339 -9.052 1.00 0.00 C ATOM 0 H ALA A 62 -3.310 -2.419 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.628 -2.923 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.017 -5.030 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.376 -4.639 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.523 -4.358 -9.902 1.00 0.00 H new ATOM 977 N LYS A 63 -1.221 -2.123 -11.141 1.00 0.00 N ATOM 978 CA LYS A 63 -0.619 -1.637 -12.374 1.00 0.00 C ATOM 979 C LYS A 63 0.219 -0.385 -12.106 1.00 0.00 C ATOM 980 O LYS A 63 1.392 -0.318 -12.475 1.00 0.00 O ATOM 981 CB LYS A 63 -1.723 -1.312 -13.384 1.00 0.00 C ATOM 982 CG LYS A 63 -1.221 -0.914 -14.763 1.00 0.00 C ATOM 983 CD LYS A 63 -2.330 -0.271 -15.584 1.00 0.00 C ATOM 984 CE LYS A 63 -3.562 -1.159 -15.667 1.00 0.00 C ATOM 985 NZ LYS A 63 -4.727 -0.426 -16.225 1.00 0.00 N ATOM 0 H LYS A 63 -2.241 -2.138 -11.154 1.00 0.00 H new ATOM 0 HA LYS A 63 0.034 -2.411 -12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.373 -2.181 -13.485 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.334 -0.502 -12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.388 -0.218 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.842 -1.793 -15.283 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.602 0.687 -15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.964 -0.063 -16.589 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.345 -2.027 -16.290 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.809 -1.534 -14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.549 -1.062 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.949 0.388 -15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.500 -0.090 -17.183 1.00 0.00 H new ATOM 999 N ALA A 64 -0.395 0.593 -11.445 1.00 0.00 N ATOM 1000 CA ALA A 64 0.252 1.871 -11.163 1.00 0.00 C ATOM 1001 C ALA A 64 1.475 1.695 -10.267 1.00 0.00 C ATOM 1002 O ALA A 64 2.516 2.309 -10.503 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.737 2.832 -10.523 1.00 0.00 C ATOM 0 H ALA A 64 -1.349 0.523 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 64 0.592 2.288 -12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.242 3.781 -10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.574 2.999 -11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.106 2.406 -9.590 1.00 0.00 H new ATOM 1009 N LEU A 65 1.344 0.858 -9.240 1.00 0.00 N ATOM 1010 CA LEU A 65 2.441 0.600 -8.312 1.00 0.00 C ATOM 1011 C LEU A 65 3.649 0.049 -9.066 1.00 0.00 C ATOM 1012 O LEU A 65 4.777 0.538 -8.921 1.00 0.00 O ATOM 1013 CB LEU A 65 2.005 -0.400 -7.236 1.00 0.00 C ATOM 1014 CG LEU A 65 2.957 -0.533 -6.045 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.859 0.692 -5.151 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.662 -1.798 -5.254 1.00 0.00 C ATOM 0 H LEU A 65 0.487 0.346 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 65 2.716 1.539 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.024 -0.105 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.889 -1.380 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 65 3.975 -0.604 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.542 0.583 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.126 1.581 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.839 0.792 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.351 -1.870 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.638 -1.764 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.785 -2.668 -5.899 1.00 0.00 H new ATOM 1028 N ALA A 66 3.391 -0.958 -9.893 1.00 0.00 N ATOM 1029 CA ALA A 66 4.435 -1.589 -10.682 1.00 0.00 C ATOM 1030 C ALA A 66 5.105 -0.582 -11.605 1.00 0.00 C ATOM 1031 O ALA A 66 6.328 -0.524 -11.678 1.00 0.00 O ATOM 1032 CB ALA A 66 3.866 -2.749 -11.483 1.00 0.00 C ATOM 0 H ALA A 66 2.462 -1.354 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 66 5.191 -1.975 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.661 -3.211 -12.069 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.441 -3.487 -10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.088 -2.382 -12.153 1.00 0.00 H new ATOM 1038 N GLN A 67 4.305 0.228 -12.286 1.00 0.00 N ATOM 1039 CA GLN A 67 4.838 1.221 -13.213 1.00 0.00 C ATOM 1040 C GLN A 67 5.628 2.300 -12.472 1.00 0.00 C ATOM 1041 O GLN A 67 6.622 2.813 -12.987 1.00 0.00 O ATOM 1042 CB GLN A 67 3.716 1.868 -14.029 1.00 0.00 C ATOM 1043 CG GLN A 67 2.953 0.890 -14.907 1.00 0.00 C ATOM 1044 CD GLN A 67 3.851 0.135 -15.867 1.00 0.00 C ATOM 1045 OE1 GLN A 67 4.367 -0.934 -15.541 1.00 0.00 O ATOM 1046 NE2 GLN A 67 4.038 0.677 -17.059 1.00 0.00 N ATOM 0 H GLN A 67 3.288 0.218 -12.215 1.00 0.00 H new ATOM 0 HA GLN A 67 5.512 0.701 -13.894 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.016 2.352 -13.347 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.141 2.650 -14.658 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.425 0.177 -14.274 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.197 1.433 -15.475 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.593 1.565 -17.291 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.628 0.207 -17.746 1.00 0.00 H new ATOM 1055 N SER A 68 5.188 2.630 -11.261 1.00 0.00 N ATOM 1056 CA SER A 68 5.849 3.644 -10.448 1.00 0.00 C ATOM 1057 C SER A 68 7.278 3.215 -10.116 1.00 0.00 C ATOM 1058 O SER A 68 8.183 4.048 -10.026 1.00 0.00 O ATOM 1059 CB SER A 68 5.050 3.898 -9.162 1.00 0.00 C ATOM 1060 OG SER A 68 5.596 4.973 -8.411 1.00 0.00 O ATOM 0 H SER A 68 4.372 2.207 -10.820 1.00 0.00 H new ATOM 0 HA SER A 68 5.894 4.572 -11.018 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.013 4.120 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.043 2.994 -8.553 1.00 0.00 H new ATOM 0 HG SER A 68 5.063 5.109 -7.600 1.00 0.00 H new ATOM 1066 N VAL A 69 7.476 1.915 -9.935 1.00 0.00 N ATOM 1067 CA VAL A 69 8.810 1.381 -9.683 1.00 0.00 C ATOM 1068 C VAL A 69 9.538 1.071 -10.994 1.00 0.00 C ATOM 1069 O VAL A 69 10.717 1.390 -11.152 1.00 0.00 O ATOM 1070 CB VAL A 69 8.746 0.103 -8.820 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.143 -0.421 -8.520 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.989 0.367 -7.528 1.00 0.00 C ATOM 0 H VAL A 69 6.735 1.214 -9.958 1.00 0.00 H new ATOM 0 HA VAL A 69 9.364 2.147 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 69 8.211 -0.660 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.071 -1.322 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.652 -0.655 -9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.708 0.338 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.955 -0.546 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.496 1.149 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.973 0.687 -7.760 1.00 0.00 H new ATOM 1082 N LYS A 70 8.812 0.473 -11.937 1.00 0.00 N ATOM 1083 CA LYS A 70 9.381 0.008 -13.205 1.00 0.00 C ATOM 1084 C LYS A 70 10.003 1.151 -14.014 1.00 0.00 C ATOM 1085 O LYS A 70 10.927 0.936 -14.797 1.00 0.00 O ATOM 1086 CB LYS A 70 8.290 -0.684 -14.035 1.00 0.00 C ATOM 1087 CG LYS A 70 8.788 -1.300 -15.334 1.00 0.00 C ATOM 1088 CD LYS A 70 7.645 -1.885 -16.152 1.00 0.00 C ATOM 1089 CE LYS A 70 7.007 -3.086 -15.467 1.00 0.00 C ATOM 1090 NZ LYS A 70 7.943 -4.238 -15.369 1.00 0.00 N ATOM 0 H LYS A 70 7.812 0.296 -11.845 1.00 0.00 H new ATOM 0 HA LYS A 70 10.179 -0.697 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.829 -1.465 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.510 0.042 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.306 -0.542 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.514 -2.082 -15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.888 -1.118 -16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.017 -2.182 -17.133 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.679 -2.800 -14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.118 -3.388 -16.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.420 -5.086 -15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.380 -4.410 -16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.684 -4.025 -14.671 1.00 0.00 H new ATOM 1392 N SER B 8 2.626 -11.148 16.572 1.00 0.00 N ATOM 1393 CA SER B 8 1.312 -11.200 17.179 1.00 0.00 C ATOM 1394 C SER B 8 0.296 -10.510 16.277 1.00 0.00 C ATOM 1395 O SER B 8 0.551 -9.416 15.763 1.00 0.00 O ATOM 1396 CB SER B 8 1.344 -10.521 18.550 1.00 0.00 C ATOM 1397 OG SER B 8 0.059 -10.494 19.149 1.00 0.00 O ATOM 0 HA SER B 8 1.020 -12.242 17.308 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.039 -11.050 19.202 1.00 0.00 H new ATOM 0 HB3 SER B 8 1.718 -9.503 18.444 1.00 0.00 H new ATOM 0 HG SER B 8 0.115 -10.055 20.024 1.00 0.00 H new ATOM 1403 N ASN B 9 -0.849 -11.149 16.079 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.910 -10.566 15.270 1.00 0.00 C ATOM 1405 C ASN B 9 -2.404 -9.283 15.916 1.00 0.00 C ATOM 1406 O ASN B 9 -2.851 -8.365 15.235 1.00 0.00 O ATOM 1407 CB ASN B 9 -3.071 -11.548 15.080 1.00 0.00 C ATOM 1408 CG ASN B 9 -2.699 -12.726 14.200 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -2.247 -13.764 14.685 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -2.893 -12.582 12.898 1.00 0.00 N ATOM 0 H ASN B 9 -1.066 -12.067 16.466 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.503 -10.340 14.285 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -3.395 -11.915 16.054 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -3.918 -11.023 14.639 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.666 -13.346 12.261 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.269 -11.707 12.532 1.00 0.00 H new ATOM 1417 N THR B 10 -2.293 -9.222 17.236 1.00 0.00 N ATOM 1418 CA THR B 10 -2.654 -8.031 17.988 1.00 0.00 C ATOM 1419 C THR B 10 -1.660 -6.900 17.706 1.00 0.00 C ATOM 1420 O THR B 10 -2.043 -5.736 17.569 1.00 0.00 O ATOM 1421 CB THR B 10 -2.667 -8.335 19.499 1.00 0.00 C ATOM 1422 OG1 THR B 10 -3.361 -9.566 19.742 1.00 0.00 O ATOM 1423 CG2 THR B 10 -3.338 -7.213 20.274 1.00 0.00 C ATOM 0 H THR B 10 -1.952 -9.992 17.811 1.00 0.00 H new ATOM 0 HA THR B 10 -3.650 -7.719 17.675 1.00 0.00 H new ATOM 0 HB THR B 10 -1.635 -8.422 19.838 1.00 0.00 H new ATOM 0 HG1 THR B 10 -3.365 -9.755 20.704 1.00 0.00 H new ATOM 0 HG21 THR B 10 -3.334 -7.452 21.337 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.795 -6.282 20.109 1.00 0.00 H new ATOM 0 HG23 THR B 10 -4.367 -7.099 19.932 1.00 0.00 H new ATOM 1431 N GLN B 11 -0.385 -7.265 17.596 1.00 0.00 N ATOM 1432 CA GLN B 11 0.684 -6.308 17.325 1.00 0.00 C ATOM 1433 C GLN B 11 0.476 -5.643 15.967 1.00 0.00 C ATOM 1434 O GLN B 11 0.404 -4.417 15.866 1.00 0.00 O ATOM 1435 CB GLN B 11 2.038 -7.026 17.340 1.00 0.00 C ATOM 1436 CG GLN B 11 3.239 -6.110 17.148 1.00 0.00 C ATOM 1437 CD GLN B 11 3.485 -5.208 18.342 1.00 0.00 C ATOM 1438 OE1 GLN B 11 2.989 -4.080 18.404 1.00 0.00 O ATOM 1439 NE2 GLN B 11 4.230 -5.708 19.312 1.00 0.00 N ATOM 0 H GLN B 11 -0.065 -8.229 17.692 1.00 0.00 H new ATOM 0 HA GLN B 11 0.667 -5.541 18.099 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.146 -7.552 18.289 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.043 -7.781 16.554 1.00 0.00 H new ATOM 0 HG2 GLN B 11 4.127 -6.715 16.966 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.084 -5.497 16.260 1.00 0.00 H new ATOM 0 HE21 GLN B 11 4.622 -6.645 19.222 1.00 0.00 H new ATOM 0 HE22 GLN B 11 4.413 -5.157 20.150 1.00 0.00 H new ATOM 1448 N VAL B 12 0.360 -6.470 14.932 1.00 0.00 N ATOM 1449 CA VAL B 12 0.212 -5.986 13.563 1.00 0.00 C ATOM 1450 C VAL B 12 -1.109 -5.234 13.404 1.00 0.00 C ATOM 1451 O VAL B 12 -1.166 -4.202 12.737 1.00 0.00 O ATOM 1452 CB VAL B 12 0.277 -7.151 12.545 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.419 -6.633 11.118 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.419 -8.100 12.880 1.00 0.00 C ATOM 0 H VAL B 12 0.366 -7.486 15.017 1.00 0.00 H new ATOM 0 HA VAL B 12 1.040 -5.306 13.360 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.662 -7.700 12.613 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.462 -7.475 10.428 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.437 -6.005 10.872 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.334 -6.047 11.033 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.445 -8.910 12.151 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.364 -7.557 12.852 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.268 -8.514 13.877 1.00 0.00 H new ATOM 1464 N GLU B 13 -2.158 -5.750 14.044 1.00 0.00 N ATOM 1465 CA GLU B 13 -3.484 -5.135 13.999 1.00 0.00 C ATOM 1466 C GLU B 13 -3.439 -3.668 14.423 1.00 0.00 C ATOM 1467 O GLU B 13 -3.858 -2.778 13.676 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.438 -5.888 14.924 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.812 -5.258 15.033 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.561 -5.737 16.255 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.348 -5.170 17.343 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -7.359 -6.686 16.138 1.00 0.00 O ATOM 0 H GLU B 13 -2.113 -6.601 14.605 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.835 -5.188 12.969 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.546 -6.911 14.564 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.995 -5.945 15.918 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.711 -4.173 15.072 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.390 -5.492 14.139 1.00 0.00 H new ATOM 1479 N SER B 14 -2.933 -3.425 15.626 1.00 0.00 N ATOM 1480 CA SER B 14 -2.904 -2.083 16.181 1.00 0.00 C ATOM 1481 C SER B 14 -1.917 -1.197 15.433 1.00 0.00 C ATOM 1482 O SER B 14 -2.096 0.015 15.371 1.00 0.00 O ATOM 1483 CB SER B 14 -2.566 -2.138 17.668 1.00 0.00 C ATOM 1484 OG SER B 14 -3.518 -2.925 18.367 1.00 0.00 O ATOM 0 H SER B 14 -2.538 -4.142 16.234 1.00 0.00 H new ATOM 0 HA SER B 14 -3.894 -1.642 16.063 1.00 0.00 H new ATOM 0 HB2 SER B 14 -1.569 -2.557 17.805 1.00 0.00 H new ATOM 0 HB3 SER B 14 -2.547 -1.129 18.080 1.00 0.00 H new ATOM 0 HG SER B 14 -3.297 -3.874 18.263 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.890 -1.801 14.845 1.00 0.00 N ATOM 1491 CA LEU B 15 0.061 -1.045 14.043 1.00 0.00 C ATOM 1492 C LEU B 15 -0.633 -0.506 12.795 1.00 0.00 C ATOM 1493 O LEU B 15 -0.455 0.656 12.426 1.00 0.00 O ATOM 1494 CB LEU B 15 1.266 -1.909 13.662 1.00 0.00 C ATOM 1495 CG LEU B 15 2.370 -1.179 12.890 1.00 0.00 C ATOM 1496 CD1 LEU B 15 2.818 0.060 13.649 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.553 -2.101 12.650 1.00 0.00 C ATOM 0 H LEU B 15 -0.697 -2.801 14.908 1.00 0.00 H new ATOM 0 HA LEU B 15 0.429 -0.207 14.635 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.696 -2.327 14.572 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.916 -2.748 13.060 1.00 0.00 H new ATOM 0 HG LEU B 15 1.967 -0.872 11.925 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.602 0.567 13.087 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.971 0.734 13.778 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.202 -0.231 14.627 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.327 -1.565 12.100 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.953 -2.436 13.607 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.229 -2.965 12.070 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.443 -1.356 12.167 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.266 -0.939 11.036 1.00 0.00 C ATOM 1511 C ILE B 16 -3.233 0.153 11.480 1.00 0.00 C ATOM 1512 O ILE B 16 -3.450 1.135 10.769 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.070 -2.122 10.448 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.123 -3.226 9.978 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.955 -1.654 9.298 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.825 -4.496 9.548 1.00 0.00 C ATOM 0 H ILE B 16 -1.546 -2.338 12.423 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.599 -0.561 10.261 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.713 -2.524 11.231 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.529 -2.851 9.144 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.428 -3.462 10.784 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.512 -2.502 8.899 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.653 -0.899 9.660 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.334 -1.226 8.512 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.085 -5.230 9.229 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.397 -4.897 10.385 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.499 -4.277 8.720 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.799 -0.027 12.670 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.721 0.946 13.246 1.00 0.00 C ATOM 1530 C ALA B 17 -4.048 2.306 13.412 1.00 0.00 C ATOM 1531 O ALA B 17 -4.671 3.339 13.182 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.259 0.452 14.581 1.00 0.00 C ATOM 0 H ALA B 17 -3.633 -0.844 13.258 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.558 1.063 12.558 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.945 1.192 14.993 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.788 -0.490 14.434 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.431 0.299 15.273 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.775 2.296 13.801 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.997 3.529 13.924 1.00 0.00 C ATOM 1540 C GLU B 18 -1.987 4.274 12.595 1.00 0.00 C ATOM 1541 O GLU B 18 -2.275 5.471 12.529 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.552 3.212 14.319 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.399 2.507 15.654 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.619 3.419 16.839 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.286 4.227 17.139 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -1.681 3.317 17.490 1.00 0.00 O ATOM 0 H GLU B 18 -2.259 1.448 14.037 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.458 4.147 14.694 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.105 2.591 13.542 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.015 4.143 14.348 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.107 1.680 15.704 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.600 2.075 15.717 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.660 3.538 11.540 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.575 4.097 10.198 1.00 0.00 C ATOM 1555 C ILE B 19 -2.943 4.607 9.741 1.00 0.00 C ATOM 1556 O ILE B 19 -3.052 5.676 9.136 1.00 0.00 O ATOM 1557 CB ILE B 19 -1.063 3.044 9.191 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.086 2.235 9.801 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.593 3.724 7.915 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.508 1.052 8.959 1.00 0.00 C ATOM 0 H ILE B 19 -1.447 2.542 11.591 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.870 4.928 10.231 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.883 2.367 8.953 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.944 2.891 9.946 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.214 1.880 10.787 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.234 2.972 7.213 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.423 4.272 7.468 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.215 4.417 8.149 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.325 0.527 9.453 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.336 0.374 8.835 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.840 1.401 7.981 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.982 3.837 10.054 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.355 4.205 9.710 1.00 0.00 C ATOM 1574 C LEU B 20 -5.758 5.508 10.391 1.00 0.00 C ATOM 1575 O LEU B 20 -6.424 6.351 9.790 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.329 3.093 10.113 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.171 1.770 9.362 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.105 0.719 9.939 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.444 1.961 7.878 1.00 0.00 C ATOM 0 H LEU B 20 -3.899 2.949 10.548 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.399 4.345 8.630 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.211 2.901 11.179 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.346 3.455 9.965 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.143 1.427 9.482 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.981 -0.217 9.394 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.868 0.560 10.991 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.137 1.059 9.846 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.327 1.009 7.361 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.462 2.326 7.739 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.740 2.685 7.469 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.349 5.667 11.646 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.666 6.868 12.405 1.00 0.00 C ATOM 1593 C VAL B 21 -5.078 8.104 11.735 1.00 0.00 C ATOM 1594 O VAL B 21 -5.740 9.130 11.641 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.172 6.776 13.867 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.321 8.112 14.583 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.936 5.696 14.613 1.00 0.00 C ATOM 0 H VAL B 21 -4.797 4.978 12.157 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.752 6.954 12.423 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.113 6.517 13.849 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.966 8.017 15.609 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.734 8.870 14.065 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.370 8.407 14.588 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.578 5.642 15.641 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.999 5.935 14.611 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.779 4.735 14.123 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.844 7.997 11.257 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.202 9.105 10.552 1.00 0.00 C ATOM 1609 C VAL B 22 -4.050 9.548 9.361 1.00 0.00 C ATOM 1610 O VAL B 22 -4.440 10.717 9.257 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.795 8.714 10.058 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.126 9.880 9.342 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.944 8.237 11.222 1.00 0.00 C ATOM 0 H VAL B 22 -3.268 7.159 11.343 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.109 9.930 11.258 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.896 7.897 9.343 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.135 9.579 9.003 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.729 10.174 8.483 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -1.035 10.723 10.027 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.047 7.964 10.860 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.854 9.036 11.958 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.414 7.369 11.684 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.347 8.599 8.484 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.157 8.858 7.298 1.00 0.00 C ATOM 1625 C LEU B 23 -6.525 9.437 7.659 1.00 0.00 C ATOM 1626 O LEU B 23 -6.963 10.435 7.078 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.354 7.558 6.518 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.069 6.867 6.070 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.383 5.490 5.514 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.342 7.711 5.033 1.00 0.00 C ATOM 0 H LEU B 23 -4.036 7.632 8.572 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.628 9.591 6.690 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.924 6.865 7.137 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -5.960 7.770 5.637 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.415 6.752 6.934 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.459 5.006 5.197 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.863 4.887 6.285 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.053 5.587 4.660 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.428 7.202 4.726 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.986 7.856 4.166 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.090 8.680 5.464 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.189 8.814 8.624 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.561 9.170 8.970 1.00 0.00 C ATOM 1644 C GLU B 24 -8.617 10.483 9.754 1.00 0.00 C ATOM 1645 O GLU B 24 -9.594 11.225 9.664 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.199 8.039 9.779 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.691 7.868 9.530 1.00 0.00 C ATOM 1648 CD GLU B 24 -11.001 7.479 8.095 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -10.756 6.311 7.716 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.511 8.333 7.338 1.00 0.00 O ATOM 0 H GLU B 24 -6.798 8.056 9.184 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.121 9.314 8.046 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.691 7.104 9.541 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.037 8.228 10.840 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -11.083 7.105 10.203 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -11.205 8.799 9.770 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.563 10.770 10.513 1.00 0.00 N ATOM 1658 CA LYS B 25 -7.485 12.003 11.297 1.00 0.00 C ATOM 1659 C LYS B 25 -7.422 13.216 10.380 1.00 0.00 C ATOM 1660 O LYS B 25 -8.103 14.216 10.603 1.00 0.00 O ATOM 1661 CB LYS B 25 -6.261 11.983 12.214 1.00 0.00 C ATOM 1662 CG LYS B 25 -6.047 13.273 12.993 1.00 0.00 C ATOM 1663 CD LYS B 25 -4.846 13.171 13.918 1.00 0.00 C ATOM 1664 CE LYS B 25 -5.065 12.134 15.011 1.00 0.00 C ATOM 1665 NZ LYS B 25 -6.189 12.504 15.914 1.00 0.00 N ATOM 0 H LYS B 25 -6.747 10.164 10.603 1.00 0.00 H new ATOM 0 HA LYS B 25 -8.383 12.070 11.911 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.362 11.158 12.919 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.374 11.782 11.614 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.903 14.100 12.298 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.939 13.499 13.577 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.961 12.908 13.338 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.652 14.143 14.372 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -5.270 11.165 14.556 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.151 12.025 15.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -6.167 11.901 16.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -6.094 13.500 16.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -7.092 12.370 15.417 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.606 13.123 9.339 1.00 0.00 N ATOM 1680 CA HIS B 26 -6.514 14.193 8.355 1.00 0.00 C ATOM 1681 C HIS B 26 -7.710 14.124 7.416 1.00 0.00 C ATOM 1682 O HIS B 26 -7.928 15.016 6.598 1.00 0.00 O ATOM 1683 CB HIS B 26 -5.207 14.105 7.556 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.971 14.288 8.390 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -3.526 15.516 8.830 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -3.088 13.382 8.869 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.423 15.357 9.541 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -2.140 14.070 9.579 1.00 0.00 N ATOM 0 H HIS B 26 -6.001 12.323 9.154 1.00 0.00 H new ATOM 0 HA HIS B 26 -6.517 15.147 8.882 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -5.159 13.135 7.061 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.220 14.862 6.772 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.124 12.313 8.719 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -1.852 16.145 10.010 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -1.343 13.653 10.060 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.486 13.054 7.576 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.669 12.787 6.767 1.00 0.00 C ATOM 1699 C LYS B 27 -9.314 12.794 5.285 1.00 0.00 C ATOM 1700 O LYS B 27 -9.836 13.590 4.499 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.789 13.787 7.078 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.143 13.368 6.527 1.00 0.00 C ATOM 1703 CD LYS B 27 -13.259 14.269 7.026 1.00 0.00 C ATOM 1704 CE LYS B 27 -14.619 13.790 6.542 1.00 0.00 C ATOM 1705 NZ LYS B 27 -14.923 12.409 7.004 1.00 0.00 N ATOM 0 H LYS B 27 -8.307 12.339 8.281 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.040 11.794 7.021 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -10.867 13.910 8.158 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.522 14.760 6.665 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.115 13.393 5.438 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.350 12.338 6.817 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.248 14.295 8.116 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -13.087 15.289 6.681 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.391 14.470 6.901 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.648 13.822 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -15.943 12.228 6.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -14.394 11.725 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.645 12.307 8.001 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.395 11.917 4.918 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.990 11.772 3.535 1.00 0.00 C ATOM 1721 C ALA B 28 -8.975 10.878 2.793 1.00 0.00 C ATOM 1722 O ALA B 28 -9.131 9.703 3.134 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.579 11.203 3.454 1.00 0.00 C ATOM 0 H ALA B 28 -7.914 11.292 5.565 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.990 12.754 3.062 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.288 11.099 2.409 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.886 11.876 3.959 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.552 10.226 3.937 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.675 11.430 1.788 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.634 10.669 0.981 1.00 0.00 C ATOM 1731 C PRO B 29 -9.962 9.503 0.269 1.00 0.00 C ATOM 1732 O PRO B 29 -8.732 9.432 0.214 1.00 0.00 O ATOM 1733 CB PRO B 29 -11.154 11.695 -0.033 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.856 13.022 0.573 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.593 12.835 1.361 1.00 0.00 C ATOM 0 HA PRO B 29 -11.425 10.227 1.586 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.659 11.582 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.223 11.572 -0.206 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.728 13.784 -0.196 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.673 13.351 1.215 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.707 13.021 0.754 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.544 13.514 2.213 1.00 0.00 H new ATOM 1743 N THR B 30 -10.767 8.600 -0.278 1.00 0.00 N ATOM 1744 CA THR B 30 -10.260 7.400 -0.939 1.00 0.00 C ATOM 1745 C THR B 30 -9.183 7.745 -1.966 1.00 0.00 C ATOM 1746 O THR B 30 -8.154 7.076 -2.053 1.00 0.00 O ATOM 1747 CB THR B 30 -11.408 6.649 -1.637 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.562 6.636 -0.786 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.000 5.221 -1.968 1.00 0.00 C ATOM 0 H THR B 30 -11.784 8.676 -0.277 1.00 0.00 H new ATOM 0 HA THR B 30 -9.818 6.763 -0.173 1.00 0.00 H new ATOM 0 HB THR B 30 -11.643 7.165 -2.568 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.292 6.159 -1.233 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.828 4.711 -2.461 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.135 5.234 -2.632 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.744 4.693 -1.049 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.427 8.807 -2.720 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.487 9.287 -3.730 1.00 0.00 C ATOM 1759 C ASP B 31 -7.106 9.556 -3.128 1.00 0.00 C ATOM 1760 O ASP B 31 -6.103 8.988 -3.565 1.00 0.00 O ATOM 1761 CB ASP B 31 -9.041 10.565 -4.364 1.00 0.00 C ATOM 1762 CG ASP B 31 -8.146 11.128 -5.448 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -7.254 11.941 -5.127 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -8.353 10.785 -6.630 1.00 0.00 O ATOM 0 H ASP B 31 -10.280 9.362 -2.651 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.370 8.514 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -10.025 10.357 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.179 11.318 -3.588 1.00 0.00 H new ATOM 1769 N LEU B 32 -7.070 10.393 -2.100 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.811 10.847 -1.520 1.00 0.00 C ATOM 1771 C LEU B 32 -5.171 9.768 -0.645 1.00 0.00 C ATOM 1772 O LEU B 32 -3.949 9.647 -0.598 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.037 12.125 -0.703 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.769 12.843 -0.230 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.914 13.261 -1.416 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.133 14.053 0.616 1.00 0.00 C ATOM 0 H LEU B 32 -7.902 10.773 -1.648 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.125 11.060 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.623 12.820 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.638 11.874 0.171 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.189 12.152 0.381 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.019 13.769 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.626 12.378 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.483 13.936 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.223 14.554 0.945 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.733 14.744 0.024 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.705 13.730 1.486 1.00 0.00 H new ATOM 1788 N SER B 33 -5.993 8.979 0.040 1.00 0.00 N ATOM 1789 CA SER B 33 -5.481 7.953 0.944 1.00 0.00 C ATOM 1790 C SER B 33 -4.771 6.841 0.170 1.00 0.00 C ATOM 1791 O SER B 33 -3.664 6.437 0.530 1.00 0.00 O ATOM 1792 CB SER B 33 -6.613 7.382 1.805 1.00 0.00 C ATOM 1793 OG SER B 33 -7.743 7.059 1.018 1.00 0.00 O ATOM 0 H SER B 33 -7.010 9.029 -0.012 1.00 0.00 H new ATOM 0 HA SER B 33 -4.749 8.418 1.604 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.263 6.491 2.326 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.894 8.108 2.568 1.00 0.00 H new ATOM 0 HG SER B 33 -8.275 7.867 0.862 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.395 6.364 -0.902 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.785 5.337 -1.739 1.00 0.00 C ATOM 1801 C LEU B 34 -3.536 5.882 -2.420 1.00 0.00 C ATOM 1802 O LEU B 34 -2.532 5.180 -2.557 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.778 4.831 -2.787 1.00 0.00 C ATOM 1804 CG LEU B 34 -7.009 4.115 -2.226 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.937 3.696 -3.355 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.595 2.906 -1.400 1.00 0.00 C ATOM 0 H LEU B 34 -6.318 6.670 -1.211 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.502 4.500 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.112 5.678 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.256 4.150 -3.460 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.544 4.807 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.808 3.188 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.260 4.579 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.409 3.020 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.484 2.410 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.037 2.210 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.967 3.230 -0.570 1.00 0.00 H new ATOM 1818 N MET B 35 -3.603 7.146 -2.827 1.00 0.00 N ATOM 1819 CA MET B 35 -2.465 7.821 -3.441 1.00 0.00 C ATOM 1820 C MET B 35 -1.290 7.869 -2.469 1.00 0.00 C ATOM 1821 O MET B 35 -0.138 7.656 -2.852 1.00 0.00 O ATOM 1822 CB MET B 35 -2.859 9.241 -3.855 1.00 0.00 C ATOM 1823 CG MET B 35 -1.767 9.991 -4.600 1.00 0.00 C ATOM 1824 SD MET B 35 -2.218 11.704 -4.943 1.00 0.00 S ATOM 1825 CE MET B 35 -3.763 11.484 -5.828 1.00 0.00 C ATOM 0 H MET B 35 -4.438 7.726 -2.742 1.00 0.00 H new ATOM 0 HA MET B 35 -2.164 7.262 -4.327 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.747 9.192 -4.485 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.131 9.806 -2.964 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.850 9.971 -4.011 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.554 9.479 -5.539 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.992 12.389 -6.391 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.672 10.643 -6.515 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.565 11.287 -5.117 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.598 8.139 -1.206 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.585 8.194 -0.164 1.00 0.00 C ATOM 1837 C ALA B 36 0.049 6.826 0.056 1.00 0.00 C ATOM 1838 O ALA B 36 1.269 6.684 -0.002 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.186 8.714 1.133 1.00 0.00 C ATOM 0 H ALA B 36 -2.547 8.324 -0.880 1.00 0.00 H new ATOM 0 HA ALA B 36 0.197 8.881 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.415 8.749 1.903 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.585 9.716 0.973 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.989 8.050 1.454 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.782 5.816 0.287 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.287 4.464 0.546 1.00 0.00 C ATOM 1847 C LEU B 37 0.534 3.939 -0.627 1.00 0.00 C ATOM 1848 O LEU B 37 1.530 3.241 -0.431 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.444 3.511 0.855 1.00 0.00 C ATOM 1850 CG LEU B 37 -1.829 3.408 2.336 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -0.677 2.835 3.147 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.237 4.765 2.886 1.00 0.00 C ATOM 0 H LEU B 37 -1.798 5.904 0.301 1.00 0.00 H new ATOM 0 HA LEU B 37 0.365 4.514 1.418 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.319 3.833 0.290 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.180 2.517 0.495 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.683 2.735 2.417 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.968 2.769 4.195 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.430 1.840 2.776 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.193 3.484 3.052 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.505 4.666 3.938 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.405 5.462 2.788 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.094 5.142 2.327 1.00 0.00 H new ATOM 1864 N GLY B 38 0.124 4.296 -1.839 1.00 0.00 N ATOM 1865 CA GLY B 38 0.856 3.891 -3.026 1.00 0.00 C ATOM 1866 C GLY B 38 2.281 4.406 -3.028 1.00 0.00 C ATOM 1867 O GLY B 38 3.205 3.702 -3.440 1.00 0.00 O ATOM 0 H GLY B 38 -0.705 4.861 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.865 2.803 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.338 4.258 -3.912 1.00 0.00 H new ATOM 1871 N ASN B 39 2.466 5.629 -2.550 1.00 0.00 N ATOM 1872 CA ASN B 39 3.791 6.228 -2.496 1.00 0.00 C ATOM 1873 C ASN B 39 4.553 5.764 -1.260 1.00 0.00 C ATOM 1874 O ASN B 39 5.775 5.841 -1.216 1.00 0.00 O ATOM 1875 CB ASN B 39 3.702 7.756 -2.525 1.00 0.00 C ATOM 1876 CG ASN B 39 3.334 8.292 -3.898 1.00 0.00 C ATOM 1877 OD1 ASN B 39 3.677 7.705 -4.925 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.631 9.414 -3.927 1.00 0.00 N ATOM 0 H ASN B 39 1.717 6.224 -2.195 1.00 0.00 H new ATOM 0 HA ASN B 39 4.339 5.898 -3.379 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.960 8.087 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.659 8.178 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.355 9.820 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN B 39 2.365 9.872 -3.055 1.00 0.00 H new ATOM 1885 N CYS B 40 3.831 5.276 -0.259 1.00 0.00 N ATOM 1886 CA CYS B 40 4.464 4.749 0.945 1.00 0.00 C ATOM 1887 C CYS B 40 5.148 3.416 0.646 1.00 0.00 C ATOM 1888 O CYS B 40 6.324 3.227 0.966 1.00 0.00 O ATOM 1889 CB CYS B 40 3.436 4.576 2.064 1.00 0.00 C ATOM 1890 SG CYS B 40 2.651 6.117 2.592 1.00 0.00 S ATOM 0 H CYS B 40 2.812 5.234 -0.256 1.00 0.00 H new ATOM 0 HA CYS B 40 5.218 5.464 1.276 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.664 3.884 1.729 1.00 0.00 H new ATOM 0 HB3 CYS B 40 3.924 4.117 2.923 1.00 0.00 H new ATOM 0 HG CYS B 40 2.059 6.672 1.577 1.00 0.00 H new ATOM 1896 N VAL B 41 4.408 2.506 0.013 1.00 0.00 N ATOM 1897 CA VAL B 41 4.938 1.195 -0.358 1.00 0.00 C ATOM 1898 C VAL B 41 6.169 1.353 -1.254 1.00 0.00 C ATOM 1899 O VAL B 41 7.200 0.717 -1.033 1.00 0.00 O ATOM 1900 CB VAL B 41 3.876 0.354 -1.106 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.413 -1.028 -1.450 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.601 0.237 -0.285 1.00 0.00 C ATOM 0 H VAL B 41 3.435 2.654 -0.254 1.00 0.00 H new ATOM 0 HA VAL B 41 5.214 0.680 0.562 1.00 0.00 H new ATOM 0 HB VAL B 41 3.641 0.870 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.645 -1.596 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.291 -0.929 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.688 -1.550 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.870 -0.358 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.824 -0.246 0.666 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.194 1.231 -0.101 1.00 0.00 H new ATOM 1912 N THR B 42 6.058 2.230 -2.248 1.00 0.00 N ATOM 1913 CA THR B 42 7.138 2.452 -3.195 1.00 0.00 C ATOM 1914 C THR B 42 8.332 3.140 -2.542 1.00 0.00 C ATOM 1915 O THR B 42 9.479 2.810 -2.835 1.00 0.00 O ATOM 1916 CB THR B 42 6.664 3.296 -4.391 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.829 4.364 -3.929 1.00 0.00 O ATOM 1918 CG2 THR B 42 5.907 2.440 -5.391 1.00 0.00 C ATOM 0 H THR B 42 5.228 2.798 -2.416 1.00 0.00 H new ATOM 0 HA THR B 42 7.449 1.468 -3.546 1.00 0.00 H new ATOM 0 HB THR B 42 7.539 3.711 -4.891 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.903 4.050 -3.862 1.00 0.00 H new ATOM 0 HG21 THR B 42 5.582 3.059 -6.227 1.00 0.00 H new ATOM 0 HG22 THR B 42 6.559 1.647 -5.758 1.00 0.00 H new ATOM 0 HG23 THR B 42 5.036 1.999 -4.906 1.00 0.00 H new ATOM 1926 N HIS B 43 8.064 4.088 -1.645 1.00 0.00 N ATOM 1927 CA HIS B 43 9.130 4.847 -0.996 1.00 0.00 C ATOM 1928 C HIS B 43 9.980 3.939 -0.116 1.00 0.00 C ATOM 1929 O HIS B 43 11.180 4.161 0.038 1.00 0.00 O ATOM 1930 CB HIS B 43 8.552 6.000 -0.169 1.00 0.00 C ATOM 1931 CG HIS B 43 9.579 6.997 0.281 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.210 7.866 -0.583 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.078 7.264 1.511 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.049 8.625 0.096 1.00 0.00 C ATOM 1935 NE2 HIS B 43 10.987 8.279 1.366 1.00 0.00 N ATOM 0 H HIS B 43 7.122 4.347 -1.353 1.00 0.00 H new ATOM 0 HA HIS B 43 9.766 5.267 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.794 6.515 -0.760 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.049 5.590 0.707 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.810 6.770 2.433 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.679 9.398 -0.318 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.529 8.700 2.121 1.00 0.00 H new ATOM 1944 N LEU B 44 9.356 2.922 0.463 1.00 0.00 N ATOM 1945 CA LEU B 44 10.084 1.935 1.247 1.00 0.00 C ATOM 1946 C LEU B 44 10.978 1.105 0.336 1.00 0.00 C ATOM 1947 O LEU B 44 12.148 0.859 0.642 1.00 0.00 O ATOM 1948 CB LEU B 44 9.117 1.024 2.011 1.00 0.00 C ATOM 1949 CG LEU B 44 8.267 1.720 3.079 1.00 0.00 C ATOM 1950 CD1 LEU B 44 7.322 0.727 3.739 1.00 0.00 C ATOM 1951 CD2 LEU B 44 9.159 2.382 4.121 1.00 0.00 C ATOM 0 H LEU B 44 8.351 2.760 0.405 1.00 0.00 H new ATOM 0 HA LEU B 44 10.703 2.460 1.974 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.450 0.547 1.293 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.692 0.230 2.488 1.00 0.00 H new ATOM 0 HG LEU B 44 7.670 2.493 2.595 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.726 1.239 4.495 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.661 0.298 2.986 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.900 -0.068 4.210 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.539 2.872 4.872 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.781 1.626 4.600 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.796 3.123 3.637 1.00 0.00 H new ATOM 1963 N LEU B 45 10.422 0.701 -0.798 1.00 0.00 N ATOM 1964 CA LEU B 45 11.153 -0.088 -1.779 1.00 0.00 C ATOM 1965 C LEU B 45 12.315 0.704 -2.369 1.00 0.00 C ATOM 1966 O LEU B 45 13.446 0.230 -2.384 1.00 0.00 O ATOM 1967 CB LEU B 45 10.215 -0.550 -2.896 1.00 0.00 C ATOM 1968 CG LEU B 45 9.166 -1.582 -2.478 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.213 -1.871 -3.626 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.844 -2.863 -2.015 1.00 0.00 C ATOM 0 H LEU B 45 9.459 0.909 -1.062 1.00 0.00 H new ATOM 0 HA LEU B 45 11.559 -0.962 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.702 0.322 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.815 -0.971 -3.702 1.00 0.00 H new ATOM 0 HG LEU B 45 8.589 -1.173 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.474 -2.607 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.706 -0.951 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.774 -2.262 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU B 45 9.087 -3.589 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.442 -3.273 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.489 -2.646 -1.164 1.00 0.00 H new ATOM 1982 N GLU B 46 12.027 1.914 -2.837 1.00 0.00 N ATOM 1983 CA GLU B 46 13.034 2.771 -3.467 1.00 0.00 C ATOM 1984 C GLU B 46 14.152 3.161 -2.497 1.00 0.00 C ATOM 1985 O GLU B 46 15.227 3.581 -2.921 1.00 0.00 O ATOM 1986 CB GLU B 46 12.373 4.035 -4.027 1.00 0.00 C ATOM 1987 CG GLU B 46 11.542 3.803 -5.286 1.00 0.00 C ATOM 1988 CD GLU B 46 12.312 4.080 -6.568 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.308 5.248 -7.024 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.918 3.140 -7.127 1.00 0.00 O ATOM 0 H GLU B 46 11.096 2.329 -2.793 1.00 0.00 H new ATOM 0 HA GLU B 46 13.485 2.197 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.733 4.468 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.148 4.769 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.189 2.772 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.659 4.441 -5.254 1.00 0.00 H new ATOM 1997 N ARG B 47 13.903 3.020 -1.201 1.00 0.00 N ATOM 1998 CA ARG B 47 14.878 3.437 -0.203 1.00 0.00 C ATOM 1999 C ARG B 47 15.673 2.248 0.335 1.00 0.00 C ATOM 2000 O ARG B 47 16.903 2.233 0.266 1.00 0.00 O ATOM 2001 CB ARG B 47 14.180 4.157 0.954 1.00 0.00 C ATOM 2002 CG ARG B 47 15.137 4.895 1.875 1.00 0.00 C ATOM 2003 CD ARG B 47 15.818 6.050 1.156 1.00 0.00 C ATOM 2004 NE ARG B 47 16.825 6.702 1.988 1.00 0.00 N ATOM 2005 CZ ARG B 47 17.013 8.021 2.037 1.00 0.00 C ATOM 2006 NH1 ARG B 47 16.243 8.832 1.326 1.00 0.00 N ATOM 2007 NH2 ARG B 47 17.967 8.525 2.804 1.00 0.00 N ATOM 0 H ARG B 47 13.044 2.624 -0.820 1.00 0.00 H new ATOM 0 HA ARG B 47 15.574 4.121 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.459 4.867 0.548 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.616 3.429 1.537 1.00 0.00 H new ATOM 0 HG2 ARG B 47 14.593 5.273 2.740 1.00 0.00 H new ATOM 0 HG3 ARG B 47 15.891 4.202 2.250 1.00 0.00 H new ATOM 0 HD2 ARG B 47 16.287 5.682 0.243 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.068 6.782 0.856 1.00 0.00 H new ATOM 0 HE ARG B 47 17.422 6.112 2.568 1.00 0.00 H new ATOM 0 HH11 ARG B 47 15.503 8.448 0.738 1.00 0.00 H new ATOM 0 HH12 ARG B 47 16.390 9.841 1.366 1.00 0.00 H new ATOM 0 HH21 ARG B 47 18.558 7.904 3.357 1.00 0.00 H new ATOM 0 HH22 ARG B 47 18.111 9.534 2.842 1.00 0.00 H new ATOM 2021 N LYS B 48 14.971 1.255 0.861 1.00 0.00 N ATOM 2022 CA LYS B 48 15.621 0.137 1.537 1.00 0.00 C ATOM 2023 C LYS B 48 16.071 -0.938 0.553 1.00 0.00 C ATOM 2024 O LYS B 48 17.181 -1.466 0.661 1.00 0.00 O ATOM 2025 CB LYS B 48 14.675 -0.460 2.590 1.00 0.00 C ATOM 2026 CG LYS B 48 15.149 -1.782 3.196 1.00 0.00 C ATOM 2027 CD LYS B 48 16.541 -1.677 3.804 1.00 0.00 C ATOM 2028 CE LYS B 48 16.597 -0.674 4.946 1.00 0.00 C ATOM 2029 NZ LYS B 48 17.976 -0.528 5.478 1.00 0.00 N ATOM 0 H LYS B 48 13.953 1.199 0.834 1.00 0.00 H new ATOM 0 HA LYS B 48 16.515 0.519 2.030 1.00 0.00 H new ATOM 0 HB2 LYS B 48 14.542 0.265 3.393 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.697 -0.614 2.135 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.444 -2.100 3.964 1.00 0.00 H new ATOM 0 HG3 LYS B 48 15.150 -2.552 2.425 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.851 -2.657 4.168 1.00 0.00 H new ATOM 0 HD3 LYS B 48 17.252 -1.384 3.031 1.00 0.00 H new ATOM 0 HE2 LYS B 48 16.236 0.294 4.599 1.00 0.00 H new ATOM 0 HE3 LYS B 48 15.930 -0.995 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 17.977 0.163 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 18.311 -1.447 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 18.607 -0.198 4.720 1.00 0.00 H new ATOM 2043 N VAL B 49 15.225 -1.247 -0.411 1.00 0.00 N ATOM 2044 CA VAL B 49 15.475 -2.372 -1.297 1.00 0.00 C ATOM 2045 C VAL B 49 16.167 -1.918 -2.582 1.00 0.00 C ATOM 2046 O VAL B 49 15.708 -0.989 -3.243 1.00 0.00 O ATOM 2047 CB VAL B 49 14.158 -3.099 -1.651 1.00 0.00 C ATOM 2048 CG1 VAL B 49 14.435 -4.396 -2.393 1.00 0.00 C ATOM 2049 CG2 VAL B 49 13.335 -3.364 -0.397 1.00 0.00 C ATOM 0 H VAL B 49 14.362 -0.738 -0.602 1.00 0.00 H new ATOM 0 HA VAL B 49 16.132 -3.062 -0.768 1.00 0.00 H new ATOM 0 HB VAL B 49 13.581 -2.449 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL B 49 13.492 -4.888 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.974 -4.179 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL B 49 15.039 -5.052 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL B 49 12.412 -3.876 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.908 -3.988 0.289 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.095 -2.418 0.088 1.00 0.00 H new ATOM 2059 N PRO B 50 17.293 -2.553 -2.944 1.00 0.00 N ATOM 2060 CA PRO B 50 17.978 -2.284 -4.214 1.00 0.00 C ATOM 2061 C PRO B 50 17.066 -2.562 -5.403 1.00 0.00 C ATOM 2062 O PRO B 50 16.220 -3.455 -5.337 1.00 0.00 O ATOM 2063 CB PRO B 50 19.165 -3.256 -4.205 1.00 0.00 C ATOM 2064 CG PRO B 50 18.826 -4.279 -3.176 1.00 0.00 C ATOM 2065 CD PRO B 50 17.994 -3.573 -2.150 1.00 0.00 C ATOM 0 HA PRO B 50 18.282 -1.242 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO B 50 19.306 -3.714 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO B 50 20.093 -2.741 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.277 -5.110 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.728 -4.695 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO B 50 17.297 -4.252 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO B 50 18.609 -3.126 -1.369 1.00 0.00 H new ATOM 2073 N SER B 51 17.254 -1.811 -6.487 1.00 0.00 N ATOM 2074 CA SER B 51 16.376 -1.880 -7.659 1.00 0.00 C ATOM 2075 C SER B 51 16.175 -3.317 -8.145 1.00 0.00 C ATOM 2076 O SER B 51 15.088 -3.672 -8.609 1.00 0.00 O ATOM 2077 CB SER B 51 16.954 -1.027 -8.789 1.00 0.00 C ATOM 2078 OG SER B 51 16.060 -0.941 -9.883 1.00 0.00 O ATOM 0 H SER B 51 18.016 -1.139 -6.580 1.00 0.00 H new ATOM 0 HA SER B 51 15.401 -1.494 -7.362 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.172 -0.026 -8.416 1.00 0.00 H new ATOM 0 HB3 SER B 51 17.899 -1.455 -9.123 1.00 0.00 H new ATOM 0 HG SER B 51 16.458 -0.388 -10.588 1.00 0.00 H new ATOM 2084 N GLU B 52 17.224 -4.128 -8.030 1.00 0.00 N ATOM 2085 CA GLU B 52 17.179 -5.536 -8.416 1.00 0.00 C ATOM 2086 C GLU B 52 15.971 -6.242 -7.796 1.00 0.00 C ATOM 2087 O GLU B 52 15.187 -6.888 -8.493 1.00 0.00 O ATOM 2088 CB GLU B 52 18.468 -6.226 -7.968 1.00 0.00 C ATOM 2089 CG GLU B 52 18.581 -7.685 -8.391 1.00 0.00 C ATOM 2090 CD GLU B 52 18.721 -7.856 -9.891 1.00 0.00 C ATOM 2091 OE1 GLU B 52 19.730 -7.380 -10.456 1.00 0.00 O ATOM 2092 OE2 GLU B 52 17.839 -8.491 -10.504 1.00 0.00 O ATOM 0 H GLU B 52 18.129 -3.828 -7.667 1.00 0.00 H new ATOM 0 HA GLU B 52 17.084 -5.594 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU B 52 19.319 -5.677 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU B 52 18.538 -6.169 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU B 52 19.442 -8.135 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU B 52 17.699 -8.226 -8.050 1.00 0.00 H new ATOM 2099 N SER B 53 15.816 -6.101 -6.488 1.00 0.00 N ATOM 2100 CA SER B 53 14.729 -6.757 -5.777 1.00 0.00 C ATOM 2101 C SER B 53 13.528 -5.824 -5.637 1.00 0.00 C ATOM 2102 O SER B 53 12.395 -6.272 -5.484 1.00 0.00 O ATOM 2103 CB SER B 53 15.211 -7.209 -4.397 1.00 0.00 C ATOM 2104 OG SER B 53 16.398 -7.979 -4.502 1.00 0.00 O ATOM 0 H SER B 53 16.429 -5.539 -5.898 1.00 0.00 H new ATOM 0 HA SER B 53 14.415 -7.629 -6.351 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.392 -6.338 -3.768 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.433 -7.797 -3.910 1.00 0.00 H new ATOM 0 HG SER B 53 16.689 -8.256 -3.608 1.00 0.00 H new ATOM 2110 N ARG B 54 13.796 -4.526 -5.713 1.00 0.00 N ATOM 2111 CA ARG B 54 12.775 -3.491 -5.555 1.00 0.00 C ATOM 2112 C ARG B 54 11.596 -3.727 -6.491 1.00 0.00 C ATOM 2113 O ARG B 54 10.448 -3.797 -6.057 1.00 0.00 O ATOM 2114 CB ARG B 54 13.402 -2.127 -5.839 1.00 0.00 C ATOM 2115 CG ARG B 54 12.483 -0.946 -5.590 1.00 0.00 C ATOM 2116 CD ARG B 54 13.192 0.362 -5.900 1.00 0.00 C ATOM 2117 NE ARG B 54 14.475 0.455 -5.202 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.491 1.223 -5.595 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.324 2.105 -6.573 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.657 1.145 -4.962 1.00 0.00 N ATOM 0 H ARG B 54 14.731 -4.157 -5.887 1.00 0.00 H new ATOM 0 HA ARG B 54 12.398 -3.525 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.292 -2.015 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.731 -2.102 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.590 -1.037 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG B 54 12.153 -0.949 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.355 0.443 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.557 1.199 -5.610 1.00 0.00 H new ATOM 0 HE ARG B 54 14.600 -0.105 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.415 2.197 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.104 2.691 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.771 0.500 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.438 1.730 -5.258 1.00 0.00 H new ATOM 2134 N GLN B 55 11.893 -3.867 -7.774 1.00 0.00 N ATOM 2135 CA GLN B 55 10.857 -4.056 -8.775 1.00 0.00 C ATOM 2136 C GLN B 55 10.200 -5.423 -8.605 1.00 0.00 C ATOM 2137 O GLN B 55 9.004 -5.580 -8.839 1.00 0.00 O ATOM 2138 CB GLN B 55 11.462 -3.917 -10.174 1.00 0.00 C ATOM 2139 CG GLN B 55 10.549 -3.229 -11.183 1.00 0.00 C ATOM 2140 CD GLN B 55 9.808 -4.186 -12.100 1.00 0.00 C ATOM 2141 OE1 GLN B 55 9.519 -3.851 -13.247 1.00 0.00 O ATOM 2142 NE2 GLN B 55 9.478 -5.366 -11.608 1.00 0.00 N ATOM 0 H GLN B 55 12.843 -3.853 -8.145 1.00 0.00 H new ATOM 0 HA GLN B 55 10.090 -3.292 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN B 55 12.393 -3.355 -10.101 1.00 0.00 H new ATOM 0 HB3 GLN B 55 11.717 -4.909 -10.548 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.821 -2.622 -10.644 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.145 -2.548 -11.791 1.00 0.00 H new ATOM 0 HE21 GLN B 55 9.735 -5.610 -10.651 1.00 0.00 H new ATOM 0 HE22 GLN B 55 8.966 -6.034 -12.185 1.00 0.00 H new ATOM 2151 N ALA B 56 10.990 -6.399 -8.182 1.00 0.00 N ATOM 2152 CA ALA B 56 10.502 -7.759 -8.005 1.00 0.00 C ATOM 2153 C ALA B 56 9.494 -7.840 -6.862 1.00 0.00 C ATOM 2154 O ALA B 56 8.451 -8.487 -6.986 1.00 0.00 O ATOM 2155 CB ALA B 56 11.664 -8.708 -7.760 1.00 0.00 C ATOM 0 H ALA B 56 11.976 -6.273 -7.954 1.00 0.00 H new ATOM 0 HA ALA B 56 9.992 -8.057 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA B 56 11.285 -9.721 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA B 56 12.342 -8.681 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA B 56 12.200 -8.403 -6.861 1.00 0.00 H new ATOM 2161 N VAL B 57 9.810 -7.183 -5.749 1.00 0.00 N ATOM 2162 CA VAL B 57 8.905 -7.142 -4.605 1.00 0.00 C ATOM 2163 C VAL B 57 7.637 -6.381 -4.967 1.00 0.00 C ATOM 2164 O VAL B 57 6.537 -6.775 -4.585 1.00 0.00 O ATOM 2165 CB VAL B 57 9.564 -6.481 -3.370 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.580 -6.388 -2.213 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.803 -7.248 -2.944 1.00 0.00 C ATOM 0 H VAL B 57 10.683 -6.673 -5.616 1.00 0.00 H new ATOM 0 HA VAL B 57 8.661 -8.173 -4.348 1.00 0.00 H new ATOM 0 HB VAL B 57 9.861 -5.471 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.067 -5.920 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.721 -5.789 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.246 -7.389 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.249 -6.765 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.528 -8.271 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.523 -7.259 -3.762 1.00 0.00 H new ATOM 2177 N ALA B 58 7.802 -5.304 -5.729 1.00 0.00 N ATOM 2178 CA ALA B 58 6.678 -4.478 -6.153 1.00 0.00 C ATOM 2179 C ALA B 58 5.632 -5.304 -6.891 1.00 0.00 C ATOM 2180 O ALA B 58 4.449 -5.256 -6.557 1.00 0.00 O ATOM 2181 CB ALA B 58 7.161 -3.334 -7.033 1.00 0.00 C ATOM 0 H ALA B 58 8.709 -4.982 -6.067 1.00 0.00 H new ATOM 0 HA ALA B 58 6.212 -4.064 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.309 -2.727 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.864 -2.716 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.656 -3.738 -7.916 1.00 0.00 H new ATOM 2187 N GLU B 59 6.073 -6.077 -7.879 1.00 0.00 N ATOM 2188 CA GLU B 59 5.158 -6.887 -8.674 1.00 0.00 C ATOM 2189 C GLU B 59 4.509 -7.985 -7.836 1.00 0.00 C ATOM 2190 O GLU B 59 3.323 -8.276 -7.998 1.00 0.00 O ATOM 2191 CB GLU B 59 5.869 -7.500 -9.882 1.00 0.00 C ATOM 2192 CG GLU B 59 6.353 -6.470 -10.888 1.00 0.00 C ATOM 2193 CD GLU B 59 6.619 -7.074 -12.251 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.659 -7.572 -12.875 1.00 0.00 O ATOM 2195 OE2 GLU B 59 7.779 -7.048 -12.710 1.00 0.00 O ATOM 0 H GLU B 59 7.054 -6.159 -8.147 1.00 0.00 H new ATOM 0 HA GLU B 59 4.372 -6.222 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.721 -8.084 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.190 -8.192 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU B 59 5.607 -5.681 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU B 59 7.265 -6.004 -10.516 1.00 0.00 H new ATOM 2202 N GLN B 60 5.278 -8.588 -6.936 1.00 0.00 N ATOM 2203 CA GLN B 60 4.746 -9.639 -6.075 1.00 0.00 C ATOM 2204 C GLN B 60 3.734 -9.059 -5.091 1.00 0.00 C ATOM 2205 O GLN B 60 2.658 -9.623 -4.888 1.00 0.00 O ATOM 2206 CB GLN B 60 5.869 -10.349 -5.315 1.00 0.00 C ATOM 2207 CG GLN B 60 5.376 -11.532 -4.497 1.00 0.00 C ATOM 2208 CD GLN B 60 6.466 -12.206 -3.684 1.00 0.00 C ATOM 2209 OE1 GLN B 60 6.201 -12.753 -2.614 1.00 0.00 O ATOM 2210 NE2 GLN B 60 7.691 -12.189 -4.185 1.00 0.00 N ATOM 0 H GLN B 60 6.263 -8.370 -6.784 1.00 0.00 H new ATOM 0 HA GLN B 60 4.246 -10.371 -6.709 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.620 -10.693 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN B 60 6.360 -9.636 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN B 60 4.588 -11.194 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.929 -12.266 -5.168 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.871 -11.725 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.455 -12.640 -3.681 1.00 0.00 H new ATOM 2219 N PHE B 61 4.083 -7.923 -4.496 1.00 0.00 N ATOM 2220 CA PHE B 61 3.199 -7.238 -3.565 1.00 0.00 C ATOM 2221 C PHE B 61 1.916 -6.822 -4.268 1.00 0.00 C ATOM 2222 O PHE B 61 0.825 -6.988 -3.731 1.00 0.00 O ATOM 2223 CB PHE B 61 3.897 -6.011 -2.966 1.00 0.00 C ATOM 2224 CG PHE B 61 3.017 -5.200 -2.054 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.844 -5.565 -0.730 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.365 -4.071 -2.526 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.030 -4.824 0.106 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.549 -3.328 -1.696 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.386 -3.702 -0.379 1.00 0.00 C ATOM 0 H PHE B 61 4.978 -7.457 -4.645 1.00 0.00 H new ATOM 0 HA PHE B 61 2.950 -7.924 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.776 -6.339 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE B 61 4.251 -5.374 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.351 -6.438 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.497 -3.769 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.898 -5.121 1.136 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.039 -2.456 -2.078 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.755 -3.118 0.274 1.00 0.00 H new ATOM 2239 N ALA B 62 2.058 -6.290 -5.477 1.00 0.00 N ATOM 2240 CA ALA B 62 0.912 -5.874 -6.274 1.00 0.00 C ATOM 2241 C ALA B 62 -0.024 -7.051 -6.536 1.00 0.00 C ATOM 2242 O ALA B 62 -1.243 -6.929 -6.410 1.00 0.00 O ATOM 2243 CB ALA B 62 1.374 -5.260 -7.587 1.00 0.00 C ATOM 0 H ALA B 62 2.960 -6.137 -5.927 1.00 0.00 H new ATOM 0 HA ALA B 62 0.361 -5.120 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.506 -4.954 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.998 -4.390 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.949 -5.995 -8.150 1.00 0.00 H new ATOM 2249 N LYS B 63 0.558 -8.194 -6.883 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.216 -9.401 -7.140 1.00 0.00 C ATOM 2251 C LYS B 63 -0.894 -9.902 -5.868 1.00 0.00 C ATOM 2252 O LYS B 63 -2.053 -10.302 -5.898 1.00 0.00 O ATOM 2253 CB LYS B 63 0.680 -10.493 -7.727 1.00 0.00 C ATOM 2254 CG LYS B 63 1.050 -10.252 -9.182 1.00 0.00 C ATOM 2255 CD LYS B 63 1.971 -11.336 -9.714 1.00 0.00 C ATOM 2256 CE LYS B 63 2.099 -11.265 -11.228 1.00 0.00 C ATOM 2257 NZ LYS B 63 2.656 -9.963 -11.687 1.00 0.00 N ATOM 0 H LYS B 63 1.566 -8.309 -6.993 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.993 -9.154 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.592 -10.562 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.172 -11.454 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS B 63 0.144 -10.215 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.537 -9.281 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS B 63 2.956 -11.233 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS B 63 1.587 -12.315 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.741 -12.075 -11.575 1.00 0.00 H new ATOM 0 HE3 LYS B 63 1.120 -11.419 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.836 -10.004 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 1.975 -9.203 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 3.547 -9.771 -11.186 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.170 -9.864 -4.755 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.713 -10.298 -3.471 1.00 0.00 C ATOM 2273 C ALA B 64 -1.807 -9.348 -2.988 1.00 0.00 C ATOM 2274 O ALA B 64 -2.784 -9.768 -2.365 1.00 0.00 O ATOM 2275 CB ALA B 64 0.395 -10.405 -2.433 1.00 0.00 C ATOM 0 H ALA B 64 0.795 -9.537 -4.715 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.158 -11.283 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.027 -10.730 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA B 64 1.137 -11.130 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.870 -9.432 -2.306 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.630 -8.067 -3.284 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.609 -7.049 -2.927 1.00 0.00 C ATOM 2283 C LEU B 65 -3.894 -7.262 -3.718 1.00 0.00 C ATOM 2284 O LEU B 65 -4.990 -7.258 -3.162 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.054 -5.655 -3.217 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.807 -4.498 -2.560 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.504 -4.447 -1.071 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.439 -3.185 -3.226 1.00 0.00 C ATOM 0 H LEU B 65 -0.811 -7.707 -3.774 1.00 0.00 H new ATOM 0 HA LEU B 65 -2.823 -7.131 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.015 -5.621 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.054 -5.500 -4.296 1.00 0.00 H new ATOM 0 HG LEU B 65 -3.877 -4.661 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.047 -3.618 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.813 -5.382 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.434 -4.304 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -2.982 -2.370 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.367 -3.014 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.703 -3.227 -4.283 1.00 0.00 H new ATOM 2300 N ALA B 66 -3.747 -7.448 -5.024 1.00 0.00 N ATOM 2301 CA ALA B 66 -4.885 -7.750 -5.878 1.00 0.00 C ATOM 2302 C ALA B 66 -5.528 -9.059 -5.441 1.00 0.00 C ATOM 2303 O ALA B 66 -6.750 -9.165 -5.359 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.454 -7.825 -7.335 1.00 0.00 C ATOM 0 H ALA B 66 -2.853 -7.395 -5.512 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.619 -6.950 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.318 -8.052 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.029 -6.868 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.706 -8.609 -7.453 1.00 0.00 H new ATOM 2310 N GLN B 67 -4.687 -10.044 -5.139 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.146 -11.350 -4.680 1.00 0.00 C ATOM 2312 C GLN B 67 -6.069 -11.222 -3.472 1.00 0.00 C ATOM 2313 O GLN B 67 -7.153 -11.800 -3.453 1.00 0.00 O ATOM 2314 CB GLN B 67 -3.952 -12.235 -4.321 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.340 -13.604 -3.783 1.00 0.00 C ATOM 2316 CD GLN B 67 -3.140 -14.406 -3.320 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -2.041 -14.267 -3.857 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -3.339 -15.245 -2.316 1.00 0.00 N ATOM 0 H GLN B 67 -3.673 -9.960 -5.205 1.00 0.00 H new ATOM 0 HA GLN B 67 -5.707 -11.808 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.330 -12.366 -5.207 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.343 -11.722 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.034 -13.481 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -4.867 -14.160 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -4.266 -15.330 -1.899 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -2.566 -15.806 -1.959 1.00 0.00 H new ATOM 2327 N SER B 68 -5.648 -10.452 -2.473 1.00 0.00 N ATOM 2328 CA SER B 68 -6.421 -10.318 -1.247 1.00 0.00 C ATOM 2329 C SER B 68 -7.759 -9.619 -1.501 1.00 0.00 C ATOM 2330 O SER B 68 -8.772 -9.961 -0.885 1.00 0.00 O ATOM 2331 CB SER B 68 -5.602 -9.589 -0.176 1.00 0.00 C ATOM 2332 OG SER B 68 -4.848 -8.528 -0.734 1.00 0.00 O ATOM 0 H SER B 68 -4.781 -9.915 -2.490 1.00 0.00 H new ATOM 0 HA SER B 68 -6.649 -11.318 -0.879 1.00 0.00 H new ATOM 0 HB2 SER B 68 -6.270 -9.198 0.591 1.00 0.00 H new ATOM 0 HB3 SER B 68 -4.932 -10.295 0.314 1.00 0.00 H new ATOM 0 HG SER B 68 -5.275 -8.224 -1.562 1.00 0.00 H new ATOM 2338 N VAL B 69 -7.771 -8.663 -2.426 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.013 -8.005 -2.818 1.00 0.00 C ATOM 2340 C VAL B 69 -9.927 -8.986 -3.543 1.00 0.00 C ATOM 2341 O VAL B 69 -11.117 -9.092 -3.250 1.00 0.00 O ATOM 2342 CB VAL B 69 -8.761 -6.802 -3.747 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.072 -6.132 -4.122 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -7.824 -5.806 -3.099 1.00 0.00 C ATOM 0 H VAL B 69 -6.941 -8.329 -2.915 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.483 -7.650 -1.901 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.288 -7.171 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -9.873 -5.285 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -10.712 -6.848 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.573 -5.782 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.662 -4.966 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.264 -5.444 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.871 -6.289 -2.886 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.350 -9.725 -4.479 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.110 -10.657 -5.302 1.00 0.00 C ATOM 2356 C LYS B 70 -10.482 -11.907 -4.507 1.00 0.00 C ATOM 2357 O LYS B 70 -11.170 -12.794 -5.010 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.307 -11.009 -6.560 1.00 0.00 C ATOM 2359 CG LYS B 70 -8.898 -9.770 -7.344 1.00 0.00 C ATOM 2360 CD LYS B 70 -7.902 -10.067 -8.452 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.592 -10.415 -9.759 1.00 0.00 C ATOM 2362 NZ LYS B 70 -7.659 -10.306 -10.910 1.00 0.00 N ATOM 0 H LYS B 70 -8.352 -9.697 -4.689 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.042 -10.182 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.416 -11.568 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.902 -11.661 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.787 -9.311 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.464 -9.041 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.257 -9.201 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -7.260 -10.894 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.988 -11.429 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.441 -9.749 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -8.204 -10.246 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -7.076 -9.451 -10.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.044 -11.144 -10.939 1.00 0.00 H new ATOM 2376 N SER B 71 -10.043 -11.958 -3.252 1.00 0.00 N ATOM 2377 CA SER B 71 -10.434 -13.028 -2.347 1.00 0.00 C ATOM 2378 C SER B 71 -11.844 -12.780 -1.816 1.00 0.00 C ATOM 2379 O SER B 71 -12.428 -13.632 -1.150 1.00 0.00 O ATOM 2380 CB SER B 71 -9.440 -13.144 -1.186 1.00 0.00 C ATOM 2381 OG SER B 71 -8.137 -13.445 -1.658 1.00 0.00 O ATOM 0 H SER B 71 -9.415 -11.268 -2.841 1.00 0.00 H new ATOM 0 HA SER B 71 -10.427 -13.968 -2.899 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.420 -12.209 -0.625 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.770 -13.922 -0.497 1.00 0.00 H new ATOM 0 HG SER B 71 -7.809 -12.704 -2.209 1.00 0.00 H new