USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 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 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.0238 X(o=-0.35,f=-0.47) USER MOD Set 2.2: A 50 MET CE :methyl 159:sc= -0.328 (180deg=-0.424) USER MOD Set 3.1: A 16 THR OG1 : rot 160:sc=-0.00864 USER MOD Set 3.2: A 96 HIS : no HD1:sc=-0.00816 X(o=-0.017,f=-0.015) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -29:sc= 0.0826 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -99:sc= 0.448 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 167:sc= 0.236 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 25:sc= 0.188 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00374 USER MOD Single : A 102 MET CE :methyl -151:sc= -0.694 (180deg=-1.48) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.000172 K(o=-0.00017,f=-1.3) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N GLY A 12 9.935 -10.772 6.718 1.00 24.23 N ATOM 158 CA GLY A 12 10.097 -9.524 5.969 1.00 52.14 C ATOM 159 C GLY A 12 8.864 -8.623 6.036 1.00 45.44 C ATOM 160 O GLY A 12 7.963 -8.741 5.199 1.00 0.14 O ATOM 0 HA2 GLY A 12 10.958 -8.982 6.359 1.00 52.14 H new ATOM 0 HA3 GLY A 12 10.313 -9.758 4.927 1.00 52.14 H new ATOM 164 N ALA A 13 8.832 -7.725 7.042 1.00 4.43 N ATOM 165 CA ALA A 13 7.715 -6.789 7.242 1.00 73.25 C ATOM 166 C ALA A 13 8.211 -5.335 7.255 1.00 41.50 C ATOM 167 O ALA A 13 9.314 -5.055 7.736 1.00 10.43 O ATOM 168 CB ALA A 13 6.983 -7.115 8.540 1.00 70.44 C ATOM 0 H ALA A 13 9.577 -7.631 7.733 1.00 4.43 H new ATOM 0 HA ALA A 13 7.021 -6.900 6.409 1.00 73.25 H new ATOM 0 HB1 ALA A 13 6.158 -6.416 8.678 1.00 70.44 H new ATOM 0 HB2 ALA A 13 6.593 -8.132 8.492 1.00 70.44 H new ATOM 0 HB3 ALA A 13 7.674 -7.031 9.379 1.00 70.44 H new ATOM 174 N VAL A 14 7.384 -4.417 6.721 1.00 71.32 N ATOM 175 CA VAL A 14 7.723 -2.983 6.659 1.00 41.03 C ATOM 176 C VAL A 14 7.246 -2.251 7.935 1.00 21.34 C ATOM 177 O VAL A 14 6.151 -2.525 8.438 1.00 64.44 O ATOM 178 CB VAL A 14 7.148 -2.333 5.334 1.00 41.41 C ATOM 179 CG1 VAL A 14 6.109 -1.224 5.567 1.00 52.24 C ATOM 180 CG2 VAL A 14 8.287 -1.823 4.444 1.00 41.04 C ATOM 0 H VAL A 14 6.472 -4.645 6.325 1.00 71.32 H new ATOM 0 HA VAL A 14 8.807 -2.876 6.622 1.00 41.03 H new ATOM 0 HB VAL A 14 6.612 -3.135 4.826 1.00 41.41 H new ATOM 0 HG11 VAL A 14 5.770 -0.836 4.607 1.00 52.24 H new ATOM 0 HG12 VAL A 14 5.259 -1.631 6.115 1.00 52.24 H new ATOM 0 HG13 VAL A 14 6.561 -0.418 6.145 1.00 52.24 H new ATOM 0 HG21 VAL A 14 7.871 -1.380 3.539 1.00 41.04 H new ATOM 0 HG22 VAL A 14 8.862 -1.071 4.984 1.00 41.04 H new ATOM 0 HG23 VAL A 14 8.939 -2.654 4.175 1.00 41.04 H new ATOM 190 N THR A 15 8.084 -1.324 8.446 1.00 34.51 N ATOM 191 CA THR A 15 7.771 -0.545 9.661 1.00 61.31 C ATOM 192 C THR A 15 8.246 0.917 9.518 1.00 63.11 C ATOM 193 O THR A 15 9.233 1.187 8.822 1.00 64.31 O ATOM 194 CB THR A 15 8.403 -1.214 10.908 1.00 55.14 C ATOM 195 OG1 THR A 15 8.086 -0.492 12.090 1.00 53.42 O ATOM 196 CG2 THR A 15 9.919 -1.353 10.855 1.00 0.41 C ATOM 0 H THR A 15 8.988 -1.097 8.032 1.00 34.51 H new ATOM 0 HA THR A 15 6.689 -0.531 9.790 1.00 61.31 H new ATOM 0 HB THR A 15 7.973 -2.216 10.917 1.00 55.14 H new ATOM 0 HG1 THR A 15 8.494 -0.935 12.863 1.00 53.42 H new ATOM 0 HG21 THR A 15 10.273 -1.831 11.768 1.00 0.41 H new ATOM 0 HG22 THR A 15 10.199 -1.962 9.995 1.00 0.41 H new ATOM 0 HG23 THR A 15 10.372 -0.366 10.763 1.00 0.41 H new ATOM 204 N THR A 16 7.533 1.852 10.181 1.00 13.41 N ATOM 205 CA THR A 16 7.869 3.288 10.132 1.00 54.53 C ATOM 206 C THR A 16 7.840 3.913 11.549 1.00 72.23 C ATOM 207 O THR A 16 7.284 3.326 12.483 1.00 44.22 O ATOM 208 CB THR A 16 6.932 4.009 9.109 1.00 61.31 C ATOM 209 OG1 THR A 16 7.698 4.584 8.065 1.00 41.13 O ATOM 210 CG2 THR A 16 6.043 5.120 9.657 1.00 32.31 C ATOM 0 H THR A 16 6.720 1.636 10.757 1.00 13.41 H new ATOM 0 HA THR A 16 8.891 3.419 9.777 1.00 54.53 H new ATOM 0 HB THR A 16 6.270 3.208 8.780 1.00 61.31 H new ATOM 0 HG1 THR A 16 7.123 4.745 7.288 1.00 41.13 H new ATOM 0 HG21 THR A 16 5.443 5.538 8.849 1.00 32.31 H new ATOM 0 HG22 THR A 16 5.384 4.714 10.425 1.00 32.31 H new ATOM 0 HG23 THR A 16 6.665 5.903 10.090 1.00 32.31 H new ATOM 218 N SER A 17 8.468 5.098 11.694 1.00 60.31 N ATOM 219 CA SER A 17 8.551 5.809 12.987 1.00 63.22 C ATOM 220 C SER A 17 7.350 6.743 13.244 1.00 52.33 C ATOM 221 O SER A 17 6.822 6.764 14.362 1.00 73.42 O ATOM 222 CB SER A 17 9.863 6.609 13.064 1.00 13.23 C ATOM 223 OG SER A 17 10.989 5.753 12.951 1.00 0.12 O ATOM 0 H SER A 17 8.928 5.586 10.925 1.00 60.31 H new ATOM 0 HA SER A 17 8.529 5.047 13.766 1.00 63.22 H new ATOM 0 HB2 SER A 17 9.886 7.353 12.268 1.00 13.23 H new ATOM 0 HB3 SER A 17 9.907 7.151 14.009 1.00 13.23 H new ATOM 0 HG SER A 17 11.811 6.285 13.001 1.00 0.12 H new ATOM 229 N GLN A 18 6.933 7.528 12.221 1.00 34.10 N ATOM 230 CA GLN A 18 5.800 8.480 12.353 1.00 62.22 C ATOM 231 C GLN A 18 4.481 7.759 12.726 1.00 3.23 C ATOM 232 O GLN A 18 3.968 7.949 13.834 1.00 42.43 O ATOM 233 CB GLN A 18 5.615 9.298 11.052 1.00 54.34 C ATOM 234 CG GLN A 18 6.773 10.245 10.719 1.00 25.00 C ATOM 235 CD GLN A 18 6.740 11.546 11.518 1.00 43.13 C ATOM 236 OE1 GLN A 18 6.089 12.511 11.116 1.00 51.55 O ATOM 237 NE2 GLN A 18 7.443 11.586 12.654 1.00 54.41 N ATOM 0 H GLN A 18 7.363 7.522 11.296 1.00 34.10 H new ATOM 0 HA GLN A 18 6.046 9.163 13.166 1.00 62.22 H new ATOM 0 HB2 GLN A 18 5.479 8.606 10.221 1.00 54.34 H new ATOM 0 HB3 GLN A 18 4.698 9.882 11.134 1.00 54.34 H new ATOM 0 HG2 GLN A 18 7.717 9.734 10.909 1.00 25.00 H new ATOM 0 HG3 GLN A 18 6.746 10.480 9.655 1.00 25.00 H new ATOM 0 HE21 GLN A 18 7.971 10.767 12.956 1.00 54.41 H new ATOM 0 HE22 GLN A 18 7.452 12.435 13.219 1.00 54.41 H new ATOM 246 N ILE A 19 3.955 6.924 11.802 1.00 11.33 N ATOM 247 CA ILE A 19 2.718 6.149 12.018 1.00 74.34 C ATOM 248 C ILE A 19 3.085 4.642 12.064 1.00 72.34 C ATOM 249 O ILE A 19 3.057 3.964 11.029 1.00 5.52 O ATOM 250 CB ILE A 19 1.649 6.434 10.895 1.00 3.24 C ATOM 251 CG1 ILE A 19 1.326 7.951 10.811 1.00 63.23 C ATOM 252 CG2 ILE A 19 0.359 5.627 11.135 1.00 61.15 C ATOM 253 CD1 ILE A 19 0.617 8.376 9.536 1.00 31.23 C ATOM 0 H ILE A 19 4.378 6.770 10.887 1.00 11.33 H new ATOM 0 HA ILE A 19 2.266 6.451 12.963 1.00 74.34 H new ATOM 0 HB ILE A 19 2.078 6.116 9.945 1.00 3.24 H new ATOM 0 HG12 ILE A 19 0.706 8.225 11.665 1.00 63.23 H new ATOM 0 HG13 ILE A 19 2.256 8.513 10.899 1.00 63.23 H new ATOM 0 HG21 ILE A 19 -0.359 5.845 10.344 1.00 61.15 H new ATOM 0 HG22 ILE A 19 0.590 4.562 11.132 1.00 61.15 H new ATOM 0 HG23 ILE A 19 -0.068 5.903 12.099 1.00 61.15 H new ATOM 0 HD11 ILE A 19 0.431 9.450 9.564 1.00 31.23 H new ATOM 0 HD12 ILE A 19 1.242 8.138 8.675 1.00 31.23 H new ATOM 0 HD13 ILE A 19 -0.332 7.846 9.453 1.00 31.23 H new ATOM 265 N PRO A 20 3.483 4.101 13.260 1.00 0.51 N ATOM 266 CA PRO A 20 3.894 2.683 13.402 1.00 44.10 C ATOM 267 C PRO A 20 2.727 1.669 13.355 1.00 30.31 C ATOM 268 O PRO A 20 1.572 2.040 13.119 1.00 41.23 O ATOM 269 CB PRO A 20 4.599 2.667 14.772 1.00 1.52 C ATOM 270 CG PRO A 20 3.956 3.760 15.546 1.00 75.02 C ATOM 271 CD PRO A 20 3.604 4.831 14.551 1.00 13.01 C ATOM 0 HA PRO A 20 4.521 2.366 12.569 1.00 44.10 H new ATOM 0 HB2 PRO A 20 4.475 1.705 15.269 1.00 1.52 H new ATOM 0 HB3 PRO A 20 5.671 2.835 14.667 1.00 1.52 H new ATOM 0 HG2 PRO A 20 3.065 3.400 16.061 1.00 75.02 H new ATOM 0 HG3 PRO A 20 4.632 4.145 16.309 1.00 75.02 H new ATOM 0 HD2 PRO A 20 2.672 5.330 14.816 1.00 13.01 H new ATOM 0 HD3 PRO A 20 4.375 5.600 14.503 1.00 13.01 H new ATOM 279 N ALA A 21 3.062 0.378 13.579 1.00 60.24 N ATOM 280 CA ALA A 21 2.079 -0.725 13.567 1.00 73.14 C ATOM 281 C ALA A 21 1.118 -0.690 14.776 1.00 51.33 C ATOM 282 O ALA A 21 0.019 -1.248 14.697 1.00 34.34 O ATOM 283 CB ALA A 21 2.801 -2.069 13.512 1.00 74.34 C ATOM 0 H ALA A 21 4.016 0.074 13.772 1.00 60.24 H new ATOM 0 HA ALA A 21 1.468 -0.593 12.674 1.00 73.14 H new ATOM 0 HB1 ALA A 21 2.068 -2.876 13.504 1.00 74.34 H new ATOM 0 HB2 ALA A 21 3.407 -2.120 12.607 1.00 74.34 H new ATOM 0 HB3 ALA A 21 3.444 -2.172 14.386 1.00 74.34 H new ATOM 289 N SER A 22 1.532 -0.040 15.890 1.00 64.10 N ATOM 290 CA SER A 22 0.699 0.065 17.113 1.00 64.05 C ATOM 291 C SER A 22 -0.638 0.785 16.846 1.00 22.43 C ATOM 292 O SER A 22 -1.672 0.400 17.401 1.00 1.52 O ATOM 293 CB SER A 22 1.472 0.789 18.229 1.00 15.13 C ATOM 294 OG SER A 22 0.773 0.727 19.462 1.00 51.12 O ATOM 0 H SER A 22 2.439 0.420 15.967 1.00 64.10 H new ATOM 0 HA SER A 22 0.468 -0.951 17.432 1.00 64.05 H new ATOM 0 HB2 SER A 22 2.458 0.338 18.344 1.00 15.13 H new ATOM 0 HB3 SER A 22 1.629 1.831 17.949 1.00 15.13 H new ATOM 0 HG SER A 22 1.287 1.193 20.153 1.00 51.12 H new ATOM 300 N GLU A 23 -0.609 1.819 15.982 1.00 32.11 N ATOM 301 CA GLU A 23 -1.816 2.585 15.621 1.00 21.22 C ATOM 302 C GLU A 23 -2.558 1.908 14.456 1.00 44.10 C ATOM 303 O GLU A 23 -3.790 1.819 14.475 1.00 72.30 O ATOM 304 CB GLU A 23 -1.452 4.038 15.242 1.00 71.31 C ATOM 305 CG GLU A 23 -1.001 4.909 16.419 1.00 13.53 C ATOM 306 CD GLU A 23 -2.157 5.437 17.256 1.00 31.35 C ATOM 307 OE1 GLU A 23 -2.568 4.742 18.210 1.00 52.42 O1- ATOM 308 OE2 GLU A 23 -2.651 6.543 16.954 1.00 51.31 O ATOM 0 H GLU A 23 0.241 2.143 15.520 1.00 32.11 H new ATOM 0 HA GLU A 23 -2.472 2.607 16.491 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -0.657 4.017 14.497 1.00 71.31 H new ATOM 0 HB3 GLU A 23 -2.317 4.505 14.772 1.00 71.31 H new ATOM 0 HG2 GLU A 23 -0.335 4.328 17.057 1.00 13.53 H new ATOM 0 HG3 GLU A 23 -0.423 5.751 16.038 1.00 13.53 H new ATOM 315 N GLN A 24 -1.797 1.433 13.443 1.00 61.31 N ATOM 316 CA GLN A 24 -2.377 0.763 12.268 1.00 61.43 C ATOM 317 C GLN A 24 -2.359 -0.767 12.445 1.00 41.22 C ATOM 318 O GLN A 24 -1.477 -1.459 11.921 1.00 53.53 O ATOM 319 CB GLN A 24 -1.633 1.182 10.974 1.00 53.42 C ATOM 320 CG GLN A 24 -1.673 2.686 10.675 1.00 4.14 C ATOM 321 CD GLN A 24 -3.078 3.210 10.366 1.00 34.20 C ATOM 322 OE1 GLN A 24 -3.838 3.537 11.278 1.00 64.14 O ATOM 323 NE2 GLN A 24 -3.434 3.296 9.082 1.00 20.44 N ATOM 0 H GLN A 24 -0.780 1.504 13.421 1.00 61.31 H new ATOM 0 HA GLN A 24 -3.417 1.077 12.176 1.00 61.43 H new ATOM 0 HB2 GLN A 24 -0.592 0.867 11.051 1.00 53.42 H new ATOM 0 HB3 GLN A 24 -2.067 0.645 10.131 1.00 53.42 H new ATOM 0 HG2 GLN A 24 -1.271 3.229 11.530 1.00 4.14 H new ATOM 0 HG3 GLN A 24 -1.020 2.897 9.828 1.00 4.14 H new ATOM 0 HE21 GLN A 24 -2.779 3.017 8.351 1.00 20.44 H new ATOM 0 HE22 GLN A 24 -4.361 3.641 8.832 1.00 20.44 H new ATOM 332 N GLU A 25 -3.355 -1.283 13.191 1.00 50.32 N ATOM 333 CA GLU A 25 -3.497 -2.728 13.452 1.00 70.55 C ATOM 334 C GLU A 25 -4.973 -3.157 13.297 1.00 32.41 C ATOM 335 O GLU A 25 -5.565 -3.751 14.208 1.00 55.31 O ATOM 336 CB GLU A 25 -2.934 -3.096 14.850 1.00 53.32 C ATOM 337 CG GLU A 25 -3.546 -2.323 16.035 1.00 11.41 C ATOM 338 CD GLU A 25 -4.159 -3.228 17.096 1.00 43.24 C ATOM 339 OE1 GLU A 25 -3.391 -3.867 17.846 1.00 4.23 O1- ATOM 340 OE2 GLU A 25 -5.404 -3.297 17.173 1.00 41.32 O ATOM 0 H GLU A 25 -4.080 -0.713 13.627 1.00 50.32 H new ATOM 0 HA GLU A 25 -2.911 -3.277 12.715 1.00 70.55 H new ATOM 0 HB2 GLU A 25 -3.088 -4.162 15.016 1.00 53.32 H new ATOM 0 HB3 GLU A 25 -1.857 -2.927 14.845 1.00 53.32 H new ATOM 0 HG2 GLU A 25 -2.773 -1.707 16.496 1.00 11.41 H new ATOM 0 HG3 GLU A 25 -4.312 -1.645 15.660 1.00 11.41 H new ATOM 347 N THR A 26 -5.558 -2.836 12.123 1.00 64.34 N ATOM 348 CA THR A 26 -6.963 -3.159 11.809 1.00 33.03 C ATOM 349 C THR A 26 -7.053 -4.126 10.611 1.00 74.42 C ATOM 350 O THR A 26 -6.167 -4.142 9.748 1.00 13.15 O ATOM 351 CB THR A 26 -7.757 -1.860 11.521 1.00 13.31 C ATOM 352 OG1 THR A 26 -7.337 -0.800 12.373 1.00 60.02 O ATOM 353 CG2 THR A 26 -9.263 -2.009 11.689 1.00 21.03 C ATOM 0 H THR A 26 -5.071 -2.348 11.371 1.00 64.34 H new ATOM 0 HA THR A 26 -7.403 -3.655 12.674 1.00 33.03 H new ATOM 0 HB THR A 26 -7.545 -1.636 10.476 1.00 13.31 H new ATOM 0 HG1 THR A 26 -7.853 0.008 12.169 1.00 60.02 H new ATOM 0 HG21 THR A 26 -9.749 -1.058 11.470 1.00 21.03 H new ATOM 0 HG22 THR A 26 -9.632 -2.772 11.003 1.00 21.03 H new ATOM 0 HG23 THR A 26 -9.487 -2.304 12.714 1.00 21.03 H new ATOM 361 N LEU A 27 -8.138 -4.926 10.572 1.00 34.41 N ATOM 362 CA LEU A 27 -8.375 -5.905 9.495 1.00 2.44 C ATOM 363 C LEU A 27 -9.034 -5.221 8.279 1.00 70.13 C ATOM 364 O LEU A 27 -10.007 -4.479 8.441 1.00 42.13 O ATOM 365 CB LEU A 27 -9.264 -7.061 10.031 1.00 71.12 C ATOM 366 CG LEU A 27 -9.135 -8.451 9.350 1.00 62.53 C ATOM 367 CD1 LEU A 27 -9.617 -8.421 7.896 1.00 3.53 C ATOM 368 CD2 LEU A 27 -7.703 -8.993 9.449 1.00 42.20 C ATOM 0 H LEU A 27 -8.870 -4.911 11.282 1.00 34.41 H new ATOM 0 HA LEU A 27 -7.421 -6.318 9.168 1.00 2.44 H new ATOM 0 HB2 LEU A 27 -9.046 -7.186 11.092 1.00 71.12 H new ATOM 0 HB3 LEU A 27 -10.305 -6.746 9.954 1.00 71.12 H new ATOM 0 HG LEU A 27 -9.787 -9.135 9.893 1.00 62.53 H new ATOM 0 HD11 LEU A 27 -9.510 -9.413 7.457 1.00 3.53 H new ATOM 0 HD12 LEU A 27 -10.665 -8.122 7.866 1.00 3.53 H new ATOM 0 HD13 LEU A 27 -9.020 -7.707 7.329 1.00 3.53 H new ATOM 0 HD21 LEU A 27 -7.648 -9.967 8.963 1.00 42.20 H new ATOM 0 HD22 LEU A 27 -7.018 -8.303 8.957 1.00 42.20 H new ATOM 0 HD23 LEU A 27 -7.424 -9.095 10.498 1.00 42.20 H new ATOM 380 N VAL A 28 -8.492 -5.475 7.066 1.00 31.24 N ATOM 381 CA VAL A 28 -9.022 -4.884 5.817 1.00 15.33 C ATOM 382 C VAL A 28 -9.606 -5.962 4.880 1.00 62.41 C ATOM 383 O VAL A 28 -9.139 -7.105 4.874 1.00 72.12 O ATOM 384 CB VAL A 28 -7.940 -4.043 5.056 1.00 65.43 C ATOM 385 CG1 VAL A 28 -7.570 -2.792 5.855 1.00 41.11 C ATOM 386 CG2 VAL A 28 -6.681 -4.865 4.730 1.00 45.41 C ATOM 0 H VAL A 28 -7.687 -6.086 6.926 1.00 31.24 H new ATOM 0 HA VAL A 28 -9.826 -4.211 6.115 1.00 15.33 H new ATOM 0 HB VAL A 28 -8.381 -3.741 4.106 1.00 65.43 H new ATOM 0 HG11 VAL A 28 -6.818 -2.222 5.310 1.00 41.11 H new ATOM 0 HG12 VAL A 28 -8.458 -2.177 5.999 1.00 41.11 H new ATOM 0 HG13 VAL A 28 -7.170 -3.085 6.826 1.00 41.11 H new ATOM 0 HG21 VAL A 28 -5.963 -4.237 4.203 1.00 45.41 H new ATOM 0 HG22 VAL A 28 -6.235 -5.229 5.655 1.00 45.41 H new ATOM 0 HG23 VAL A 28 -6.953 -5.712 4.100 1.00 45.41 H new ATOM 396 N ARG A 29 -10.635 -5.578 4.095 1.00 33.23 N ATOM 397 CA ARG A 29 -11.312 -6.489 3.148 1.00 23.34 C ATOM 398 C ARG A 29 -11.047 -6.074 1.680 1.00 74.44 C ATOM 399 O ARG A 29 -10.788 -4.896 1.413 1.00 73.21 O ATOM 400 CB ARG A 29 -12.828 -6.493 3.426 1.00 15.14 C ATOM 401 CG ARG A 29 -13.224 -7.102 4.781 1.00 62.12 C ATOM 402 CD ARG A 29 -14.295 -6.278 5.502 1.00 71.13 C ATOM 403 NE ARG A 29 -15.546 -6.159 4.727 1.00 31.11 N ATOM 404 CZ ARG A 29 -16.505 -5.231 4.936 1.00 20.43 C ATOM 405 NH1 ARG A 29 -16.416 -4.337 5.934 1.00 34.02 N1+ ATOM 406 NH2 ARG A 29 -17.575 -5.209 4.139 1.00 64.43 N ATOM 0 H ARG A 29 -11.018 -4.633 4.100 1.00 33.23 H new ATOM 0 HA ARG A 29 -10.909 -7.491 3.292 1.00 23.34 H new ATOM 0 HB2 ARG A 29 -13.196 -5.468 3.381 1.00 15.14 H new ATOM 0 HB3 ARG A 29 -13.329 -7.047 2.632 1.00 15.14 H new ATOM 0 HG2 ARG A 29 -13.593 -8.116 4.626 1.00 62.12 H new ATOM 0 HG3 ARG A 29 -12.340 -7.177 5.414 1.00 62.12 H new ATOM 0 HD2 ARG A 29 -14.513 -6.738 6.466 1.00 71.13 H new ATOM 0 HD3 ARG A 29 -13.904 -5.281 5.706 1.00 71.13 H new ATOM 0 HE ARG A 29 -15.698 -6.830 3.974 1.00 31.11 H new ATOM 0 HH11 ARG A 29 -15.609 -4.348 6.558 1.00 34.02 H new ATOM 0 HH12 ARG A 29 -17.155 -3.647 6.068 1.00 34.02 H new ATOM 0 HH21 ARG A 29 -17.662 -5.888 3.383 1.00 64.43 H new ATOM 0 HH22 ARG A 29 -18.306 -4.513 4.286 1.00 64.43 H new ATOM 420 N PRO A 30 -11.112 -7.035 0.697 1.00 3.30 N ATOM 421 CA PRO A 30 -10.874 -6.740 -0.730 1.00 73.43 C ATOM 422 C PRO A 30 -12.114 -6.137 -1.430 1.00 32.13 C ATOM 423 O PRO A 30 -13.123 -6.826 -1.625 1.00 23.32 O ATOM 424 CB PRO A 30 -10.510 -8.115 -1.307 1.00 22.24 C ATOM 425 CG PRO A 30 -11.249 -9.101 -0.464 1.00 31.40 C ATOM 426 CD PRO A 30 -11.418 -8.477 0.901 1.00 33.53 C ATOM 0 HA PRO A 30 -10.100 -5.987 -0.877 1.00 73.43 H new ATOM 0 HB2 PRO A 30 -10.804 -8.193 -2.354 1.00 22.24 H new ATOM 0 HB3 PRO A 30 -9.435 -8.288 -1.264 1.00 22.24 H new ATOM 0 HG2 PRO A 30 -12.219 -9.334 -0.904 1.00 31.40 H new ATOM 0 HG3 PRO A 30 -10.697 -10.038 -0.394 1.00 31.40 H new ATOM 0 HD2 PRO A 30 -12.431 -8.617 1.278 1.00 33.53 H new ATOM 0 HD3 PRO A 30 -10.742 -8.926 1.628 1.00 33.53 H new ATOM 434 N LYS A 31 -12.020 -4.840 -1.800 1.00 22.43 N ATOM 435 CA LYS A 31 -13.116 -4.113 -2.479 1.00 2.12 C ATOM 436 C LYS A 31 -12.642 -2.738 -3.037 1.00 22.23 C ATOM 437 O LYS A 31 -12.751 -2.522 -4.248 1.00 21.13 O ATOM 438 CB LYS A 31 -14.349 -3.957 -1.542 1.00 24.13 C ATOM 439 CG LYS A 31 -15.561 -3.255 -2.176 1.00 73.10 C ATOM 440 CD LYS A 31 -16.811 -3.324 -1.285 1.00 44.21 C ATOM 441 CE LYS A 31 -16.772 -2.321 -0.124 1.00 23.34 C ATOM 442 NZ LYS A 31 -17.175 -0.944 -0.540 1.00 34.15 N1+ ATOM 0 H LYS A 31 -11.189 -4.271 -1.638 1.00 22.43 H new ATOM 0 HA LYS A 31 -13.424 -4.713 -3.336 1.00 2.12 H new ATOM 0 HB2 LYS A 31 -14.657 -4.946 -1.204 1.00 24.13 H new ATOM 0 HB3 LYS A 31 -14.046 -3.398 -0.657 1.00 24.13 H new ATOM 0 HG2 LYS A 31 -15.313 -2.211 -2.369 1.00 73.10 H new ATOM 0 HG3 LYS A 31 -15.780 -3.714 -3.140 1.00 73.10 H new ATOM 0 HD2 LYS A 31 -17.696 -3.134 -1.893 1.00 44.21 H new ATOM 0 HD3 LYS A 31 -16.910 -4.333 -0.884 1.00 44.21 H new ATOM 0 HE2 LYS A 31 -17.434 -2.665 0.671 1.00 23.34 H new ATOM 0 HE3 LYS A 31 -15.765 -2.291 0.291 1.00 23.34 H new ATOM 0 HZ1 LYS A 31 -17.131 -0.307 0.281 1.00 34.15 H new ATOM 0 HZ2 LYS A 31 -16.528 -0.601 -1.279 1.00 34.15 H new ATOM 0 HZ3 LYS A 31 -18.146 -0.964 -0.912 1.00 34.15 H new ATOM 456 N PRO A 32 -12.125 -1.774 -2.189 1.00 43.21 N ATOM 457 CA PRO A 32 -11.677 -0.436 -2.671 1.00 24.14 C ATOM 458 C PRO A 32 -10.524 -0.481 -3.705 1.00 62.03 C ATOM 459 O PRO A 32 -10.054 -1.559 -4.082 1.00 52.51 O ATOM 460 CB PRO A 32 -11.244 0.293 -1.381 1.00 3.22 C ATOM 461 CG PRO A 32 -10.995 -0.784 -0.390 1.00 23.35 C ATOM 462 CD PRO A 32 -11.961 -1.881 -0.716 1.00 61.21 C ATOM 0 HA PRO A 32 -12.478 0.066 -3.214 1.00 24.14 H new ATOM 0 HB2 PRO A 32 -10.347 0.889 -1.548 1.00 3.22 H new ATOM 0 HB3 PRO A 32 -12.020 0.975 -1.035 1.00 3.22 H new ATOM 0 HG2 PRO A 32 -9.966 -1.140 -0.451 1.00 23.35 H new ATOM 0 HG3 PRO A 32 -11.147 -0.421 0.626 1.00 23.35 H new ATOM 0 HD2 PRO A 32 -11.572 -2.857 -0.425 1.00 61.21 H new ATOM 0 HD3 PRO A 32 -12.910 -1.748 -0.196 1.00 61.21 H new ATOM 470 N LEU A 33 -10.096 0.716 -4.167 1.00 14.10 N ATOM 471 CA LEU A 33 -9.020 0.860 -5.176 1.00 72.13 C ATOM 472 C LEU A 33 -7.599 0.813 -4.555 1.00 62.14 C ATOM 473 O LEU A 33 -6.646 0.446 -5.249 1.00 64.23 O ATOM 474 CB LEU A 33 -9.220 2.191 -5.966 1.00 33.34 C ATOM 475 CG LEU A 33 -8.920 2.178 -7.490 1.00 11.14 C ATOM 476 CD1 LEU A 33 -7.446 1.892 -7.780 1.00 11.53 C ATOM 477 CD2 LEU A 33 -9.830 1.195 -8.238 1.00 34.23 C ATOM 0 H LEU A 33 -10.484 1.606 -3.853 1.00 14.10 H new ATOM 0 HA LEU A 33 -9.093 0.008 -5.851 1.00 72.13 H new ATOM 0 HB2 LEU A 33 -10.254 2.509 -5.830 1.00 33.34 H new ATOM 0 HB3 LEU A 33 -8.589 2.952 -5.506 1.00 33.34 H new ATOM 0 HG LEU A 33 -9.137 3.179 -7.862 1.00 11.14 H new ATOM 0 HD11 LEU A 33 -7.280 1.892 -8.857 1.00 11.53 H new ATOM 0 HD12 LEU A 33 -6.828 2.662 -7.318 1.00 11.53 H new ATOM 0 HD13 LEU A 33 -7.177 0.918 -7.372 1.00 11.53 H new ATOM 0 HD21 LEU A 33 -9.590 1.214 -9.301 1.00 34.23 H new ATOM 0 HD22 LEU A 33 -9.676 0.188 -7.849 1.00 34.23 H new ATOM 0 HD23 LEU A 33 -10.872 1.483 -8.096 1.00 34.23 H new ATOM 489 N LEU A 34 -7.451 1.203 -3.265 1.00 3.35 N ATOM 490 CA LEU A 34 -6.126 1.221 -2.585 1.00 23.44 C ATOM 491 C LEU A 34 -5.450 -0.167 -2.557 1.00 55.54 C ATOM 492 O LEU A 34 -4.306 -0.296 -3.008 1.00 72.42 O ATOM 493 CB LEU A 34 -6.247 1.792 -1.143 1.00 72.31 C ATOM 494 CG LEU A 34 -4.984 2.456 -0.522 1.00 40.35 C ATOM 495 CD1 LEU A 34 -3.786 1.499 -0.468 1.00 31.30 C ATOM 496 CD2 LEU A 34 -4.615 3.750 -1.258 1.00 75.04 C ATOM 0 H LEU A 34 -8.225 1.508 -2.675 1.00 3.35 H new ATOM 0 HA LEU A 34 -5.487 1.878 -3.175 1.00 23.44 H new ATOM 0 HB2 LEU A 34 -7.050 2.529 -1.140 1.00 72.31 H new ATOM 0 HB3 LEU A 34 -6.557 0.980 -0.485 1.00 72.31 H new ATOM 0 HG LEU A 34 -5.240 2.708 0.507 1.00 40.35 H new ATOM 0 HD11 LEU A 34 -2.931 2.011 -0.027 1.00 31.30 H new ATOM 0 HD12 LEU A 34 -4.041 0.630 0.139 1.00 31.30 H new ATOM 0 HD13 LEU A 34 -3.533 1.175 -1.478 1.00 31.30 H new ATOM 0 HD21 LEU A 34 -3.729 4.189 -0.800 1.00 75.04 H new ATOM 0 HD22 LEU A 34 -4.410 3.527 -2.305 1.00 75.04 H new ATOM 0 HD23 LEU A 34 -5.444 4.455 -1.193 1.00 75.04 H new ATOM 508 N LEU A 35 -6.150 -1.201 -2.036 1.00 52.02 N ATOM 509 CA LEU A 35 -5.579 -2.569 -1.967 1.00 33.11 C ATOM 510 C LEU A 35 -5.841 -3.406 -3.252 1.00 24.14 C ATOM 511 O LEU A 35 -5.740 -4.638 -3.223 1.00 1.52 O ATOM 512 CB LEU A 35 -6.006 -3.346 -0.674 1.00 22.54 C ATOM 513 CG LEU A 35 -7.488 -3.312 -0.194 1.00 34.12 C ATOM 514 CD1 LEU A 35 -7.757 -2.120 0.730 1.00 24.40 C ATOM 515 CD2 LEU A 35 -8.496 -3.360 -1.351 1.00 23.21 C ATOM 0 H LEU A 35 -7.096 -1.119 -1.663 1.00 52.02 H new ATOM 0 HA LEU A 35 -4.501 -2.423 -1.905 1.00 33.11 H new ATOM 0 HB2 LEU A 35 -5.738 -4.392 -0.822 1.00 22.54 H new ATOM 0 HB3 LEU A 35 -5.392 -2.972 0.145 1.00 22.54 H new ATOM 0 HG LEU A 35 -7.638 -4.224 0.383 1.00 34.12 H new ATOM 0 HD11 LEU A 35 -8.801 -2.131 1.043 1.00 24.40 H new ATOM 0 HD12 LEU A 35 -7.114 -2.187 1.607 1.00 24.40 H new ATOM 0 HD13 LEU A 35 -7.548 -1.192 0.197 1.00 24.40 H new ATOM 0 HD21 LEU A 35 -9.510 -3.333 -0.952 1.00 23.21 H new ATOM 0 HD22 LEU A 35 -8.341 -2.502 -2.005 1.00 23.21 H new ATOM 0 HD23 LEU A 35 -8.354 -4.279 -1.919 1.00 23.21 H new ATOM 527 N LYS A 36 -6.118 -2.726 -4.390 1.00 61.44 N ATOM 528 CA LYS A 36 -6.327 -3.392 -5.690 1.00 42.45 C ATOM 529 C LYS A 36 -4.982 -3.535 -6.444 1.00 52.33 C ATOM 530 O LYS A 36 -4.862 -4.370 -7.347 1.00 31.30 O ATOM 531 CB LYS A 36 -7.345 -2.599 -6.547 1.00 41.14 C ATOM 532 CG LYS A 36 -8.445 -3.459 -7.170 1.00 64.30 C ATOM 533 CD LYS A 36 -9.486 -2.607 -7.899 1.00 31.35 C ATOM 534 CE LYS A 36 -10.707 -3.419 -8.330 1.00 23.34 C ATOM 535 NZ LYS A 36 -11.637 -3.691 -7.194 1.00 44.21 N1+ ATOM 0 H LYS A 36 -6.201 -1.710 -4.429 1.00 61.44 H new ATOM 0 HA LYS A 36 -6.731 -4.388 -5.508 1.00 42.45 H new ATOM 0 HB2 LYS A 36 -7.807 -1.832 -5.925 1.00 41.14 H new ATOM 0 HB3 LYS A 36 -6.808 -2.083 -7.343 1.00 41.14 H new ATOM 0 HG2 LYS A 36 -8.001 -4.168 -7.869 1.00 64.30 H new ATOM 0 HG3 LYS A 36 -8.934 -4.044 -6.391 1.00 64.30 H new ATOM 0 HD2 LYS A 36 -9.806 -1.793 -7.248 1.00 31.35 H new ATOM 0 HD3 LYS A 36 -9.028 -2.151 -8.777 1.00 31.35 H new ATOM 0 HE2 LYS A 36 -11.241 -2.880 -9.113 1.00 23.34 H new ATOM 0 HE3 LYS A 36 -10.378 -4.364 -8.761 1.00 23.34 H new ATOM 0 HZ1 LYS A 36 -12.449 -4.244 -7.535 1.00 44.21 H new ATOM 0 HZ2 LYS A 36 -11.137 -4.228 -6.457 1.00 44.21 H new ATOM 0 HZ3 LYS A 36 -11.973 -2.790 -6.797 1.00 44.21 H new ATOM 549 N LEU A 37 -3.971 -2.716 -6.052 1.00 35.15 N ATOM 550 CA LEU A 37 -2.625 -2.739 -6.659 1.00 54.41 C ATOM 551 C LEU A 37 -1.873 -4.030 -6.287 1.00 15.45 C ATOM 552 O LEU A 37 -1.261 -4.665 -7.153 1.00 23.31 O ATOM 553 CB LEU A 37 -1.818 -1.501 -6.193 1.00 50.31 C ATOM 554 CG LEU A 37 -0.451 -1.261 -6.892 1.00 22.12 C ATOM 555 CD1 LEU A 37 -0.126 0.233 -6.957 1.00 14.11 C ATOM 556 CD2 LEU A 37 0.684 -2.029 -6.191 1.00 3.43 C ATOM 0 H LEU A 37 -4.071 -2.025 -5.308 1.00 35.15 H new ATOM 0 HA LEU A 37 -2.736 -2.712 -7.743 1.00 54.41 H new ATOM 0 HB2 LEU A 37 -2.436 -0.616 -6.340 1.00 50.31 H new ATOM 0 HB3 LEU A 37 -1.642 -1.592 -5.121 1.00 50.31 H new ATOM 0 HG LEU A 37 -0.534 -1.642 -7.910 1.00 22.12 H new ATOM 0 HD11 LEU A 37 0.835 0.375 -7.450 1.00 14.11 H new ATOM 0 HD12 LEU A 37 -0.903 0.750 -7.520 1.00 14.11 H new ATOM 0 HD13 LEU A 37 -0.079 0.639 -5.947 1.00 14.11 H new ATOM 0 HD21 LEU A 37 1.625 -1.838 -6.707 1.00 3.43 H new ATOM 0 HD22 LEU A 37 0.763 -1.696 -5.156 1.00 3.43 H new ATOM 0 HD23 LEU A 37 0.468 -3.097 -6.213 1.00 3.43 H new ATOM 568 N LEU A 38 -1.921 -4.404 -4.989 1.00 41.30 N ATOM 569 CA LEU A 38 -1.241 -5.620 -4.485 1.00 22.22 C ATOM 570 C LEU A 38 -1.931 -6.932 -4.937 1.00 22.33 C ATOM 571 O LEU A 38 -1.337 -8.007 -4.814 1.00 45.20 O ATOM 572 CB LEU A 38 -1.085 -5.590 -2.943 1.00 15.02 C ATOM 573 CG LEU A 38 -2.344 -5.199 -2.115 1.00 21.44 C ATOM 574 CD1 LEU A 38 -2.655 -6.242 -1.038 1.00 70.12 C ATOM 575 CD2 LEU A 38 -2.170 -3.812 -1.489 1.00 14.15 C ATOM 0 H LEU A 38 -2.423 -3.882 -4.271 1.00 41.30 H new ATOM 0 HA LEU A 38 -0.248 -5.612 -4.934 1.00 22.22 H new ATOM 0 HB2 LEU A 38 -0.757 -6.577 -2.616 1.00 15.02 H new ATOM 0 HB3 LEU A 38 -0.286 -4.891 -2.696 1.00 15.02 H new ATOM 0 HG LEU A 38 -3.192 -5.167 -2.799 1.00 21.44 H new ATOM 0 HD11 LEU A 38 -3.540 -5.936 -0.480 1.00 70.12 H new ATOM 0 HD12 LEU A 38 -2.839 -7.208 -1.509 1.00 70.12 H new ATOM 0 HD13 LEU A 38 -1.808 -6.326 -0.357 1.00 70.12 H new ATOM 0 HD21 LEU A 38 -3.061 -3.558 -0.915 1.00 14.15 H new ATOM 0 HD22 LEU A 38 -1.302 -3.817 -0.830 1.00 14.15 H new ATOM 0 HD23 LEU A 38 -2.023 -3.073 -2.277 1.00 14.15 H new ATOM 587 N LYS A 39 -3.166 -6.842 -5.477 1.00 11.51 N ATOM 588 CA LYS A 39 -3.903 -8.025 -5.967 1.00 24.20 C ATOM 589 C LYS A 39 -3.278 -8.593 -7.267 1.00 75.51 C ATOM 590 O LYS A 39 -3.446 -9.781 -7.563 1.00 62.30 O ATOM 591 CB LYS A 39 -5.389 -7.667 -6.208 1.00 34.13 C ATOM 592 CG LYS A 39 -6.343 -8.874 -6.260 1.00 2.12 C ATOM 593 CD LYS A 39 -6.982 -9.184 -4.896 1.00 52.53 C ATOM 594 CE LYS A 39 -8.223 -8.329 -4.618 1.00 14.14 C ATOM 595 NZ LYS A 39 -9.431 -8.813 -5.353 1.00 2.32 N1+ ATOM 0 H LYS A 39 -3.672 -5.963 -5.584 1.00 11.51 H new ATOM 0 HA LYS A 39 -3.835 -8.796 -5.199 1.00 24.20 H new ATOM 0 HB2 LYS A 39 -5.719 -6.994 -5.416 1.00 34.13 H new ATOM 0 HB3 LYS A 39 -5.468 -7.118 -7.146 1.00 34.13 H new ATOM 0 HG2 LYS A 39 -7.129 -8.679 -6.989 1.00 2.12 H new ATOM 0 HG3 LYS A 39 -5.796 -9.750 -6.608 1.00 2.12 H new ATOM 0 HD2 LYS A 39 -7.256 -10.238 -4.859 1.00 52.53 H new ATOM 0 HD3 LYS A 39 -6.247 -9.018 -4.108 1.00 52.53 H new ATOM 0 HE2 LYS A 39 -8.429 -8.331 -3.548 1.00 14.14 H new ATOM 0 HE3 LYS A 39 -8.019 -7.296 -4.902 1.00 14.14 H new ATOM 0 HZ1 LYS A 39 -10.241 -8.201 -5.130 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -9.248 -8.787 -6.376 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -9.645 -9.789 -5.064 1.00 2.32 H new ATOM 609 N SER A 40 -2.569 -7.734 -8.040 1.00 11.22 N ATOM 610 CA SER A 40 -1.933 -8.142 -9.309 1.00 21.41 C ATOM 611 C SER A 40 -0.443 -8.528 -9.149 1.00 22.21 C ATOM 612 O SER A 40 0.115 -9.163 -10.052 1.00 65.31 O ATOM 613 CB SER A 40 -2.068 -7.012 -10.344 1.00 63.41 C ATOM 614 OG SER A 40 -1.799 -7.482 -11.658 1.00 44.20 O ATOM 0 H SER A 40 -2.425 -6.753 -7.802 1.00 11.22 H new ATOM 0 HA SER A 40 -2.455 -9.036 -9.649 1.00 21.41 H new ATOM 0 HB2 SER A 40 -3.075 -6.596 -10.303 1.00 63.41 H new ATOM 0 HB3 SER A 40 -1.379 -6.204 -10.096 1.00 63.41 H new ATOM 0 HG SER A 40 -1.164 -8.227 -11.615 1.00 44.20 H new ATOM 620 N VAL A 41 0.211 -8.146 -8.025 1.00 73.14 N ATOM 621 CA VAL A 41 1.641 -8.468 -7.810 1.00 42.44 C ATOM 622 C VAL A 41 1.843 -9.870 -7.200 1.00 50.40 C ATOM 623 O VAL A 41 2.759 -10.588 -7.610 1.00 54.04 O ATOM 624 CB VAL A 41 2.393 -7.389 -6.951 1.00 21.54 C ATOM 625 CG1 VAL A 41 2.281 -6.008 -7.600 1.00 24.23 C ATOM 626 CG2 VAL A 41 1.908 -7.344 -5.493 1.00 44.55 C ATOM 0 H VAL A 41 -0.222 -7.622 -7.264 1.00 73.14 H new ATOM 0 HA VAL A 41 2.085 -8.462 -8.805 1.00 42.44 H new ATOM 0 HB VAL A 41 3.442 -7.685 -6.924 1.00 21.54 H new ATOM 0 HG11 VAL A 41 2.808 -5.275 -6.989 1.00 24.23 H new ATOM 0 HG12 VAL A 41 2.724 -6.037 -8.596 1.00 24.23 H new ATOM 0 HG13 VAL A 41 1.231 -5.727 -7.678 1.00 24.23 H new ATOM 0 HG21 VAL A 41 2.463 -6.580 -4.948 1.00 44.55 H new ATOM 0 HG22 VAL A 41 0.845 -7.105 -5.470 1.00 44.55 H new ATOM 0 HG23 VAL A 41 2.072 -8.315 -5.025 1.00 44.55 H new ATOM 636 N GLY A 42 0.989 -10.255 -6.227 1.00 14.13 N ATOM 637 CA GLY A 42 1.104 -11.572 -5.594 1.00 11.00 C ATOM 638 C GLY A 42 0.404 -11.657 -4.240 1.00 61.21 C ATOM 639 O GLY A 42 1.040 -11.994 -3.236 1.00 41.30 O ATOM 0 H GLY A 42 0.226 -9.678 -5.872 1.00 14.13 H new ATOM 0 HA2 GLY A 42 0.683 -12.325 -6.260 1.00 11.00 H new ATOM 0 HA3 GLY A 42 2.159 -11.814 -5.465 1.00 11.00 H new ATOM 643 N ALA A 43 -0.911 -11.363 -4.218 1.00 65.32 N ATOM 644 CA ALA A 43 -1.719 -11.418 -2.989 1.00 43.30 C ATOM 645 C ALA A 43 -2.915 -12.364 -3.187 1.00 21.11 C ATOM 646 O ALA A 43 -3.973 -11.952 -3.678 1.00 51.41 O ATOM 647 CB ALA A 43 -2.175 -10.018 -2.582 1.00 43.13 C ATOM 0 H ALA A 43 -1.437 -11.083 -5.046 1.00 65.32 H new ATOM 0 HA ALA A 43 -1.106 -11.812 -2.178 1.00 43.30 H new ATOM 0 HB1 ALA A 43 -2.771 -10.080 -1.671 1.00 43.13 H new ATOM 0 HB2 ALA A 43 -1.303 -9.389 -2.403 1.00 43.13 H new ATOM 0 HB3 ALA A 43 -2.777 -9.585 -3.381 1.00 43.13 H new ATOM 653 N GLN A 44 -2.721 -13.643 -2.812 1.00 51.42 N ATOM 654 CA GLN A 44 -3.761 -14.687 -2.950 1.00 4.24 C ATOM 655 C GLN A 44 -4.580 -14.900 -1.655 1.00 62.23 C ATOM 656 O GLN A 44 -5.537 -15.684 -1.660 1.00 74.14 O ATOM 657 CB GLN A 44 -3.125 -16.022 -3.409 1.00 24.21 C ATOM 658 CG GLN A 44 -2.029 -16.587 -2.482 1.00 11.12 C ATOM 659 CD GLN A 44 -2.337 -17.987 -1.958 1.00 34.11 C ATOM 660 OE1 GLN A 44 -1.903 -18.981 -2.540 1.00 1.41 O ATOM 661 NE2 GLN A 44 -3.084 -18.076 -0.855 1.00 23.55 N ATOM 0 H GLN A 44 -1.848 -13.982 -2.408 1.00 51.42 H new ATOM 0 HA GLN A 44 -4.460 -14.335 -3.709 1.00 4.24 H new ATOM 0 HB2 GLN A 44 -3.915 -16.767 -3.505 1.00 24.21 H new ATOM 0 HB3 GLN A 44 -2.699 -15.879 -4.402 1.00 24.21 H new ATOM 0 HG2 GLN A 44 -1.083 -16.610 -3.023 1.00 11.12 H new ATOM 0 HG3 GLN A 44 -1.896 -15.912 -1.636 1.00 11.12 H new ATOM 0 HE21 GLN A 44 -3.426 -17.229 -0.401 1.00 23.55 H new ATOM 0 HE22 GLN A 44 -3.313 -18.991 -0.467 1.00 23.55 H new ATOM 670 N LYS A 45 -4.213 -14.209 -0.552 1.00 54.31 N ATOM 671 CA LYS A 45 -4.927 -14.339 0.734 1.00 41.03 C ATOM 672 C LYS A 45 -6.331 -13.714 0.658 1.00 52.24 C ATOM 673 O LYS A 45 -6.560 -12.778 -0.117 1.00 23.43 O ATOM 674 CB LYS A 45 -4.118 -13.682 1.873 1.00 13.50 C ATOM 675 CG LYS A 45 -2.743 -14.318 2.114 1.00 54.10 C ATOM 676 CD LYS A 45 -2.084 -13.821 3.412 1.00 22.23 C ATOM 677 CE LYS A 45 -2.194 -14.833 4.558 1.00 4.20 C ATOM 678 NZ LYS A 45 -3.571 -14.904 5.133 1.00 53.34 N1+ ATOM 0 H LYS A 45 -3.428 -13.558 -0.529 1.00 54.31 H new ATOM 0 HA LYS A 45 -5.037 -15.403 0.945 1.00 41.03 H new ATOM 0 HB2 LYS A 45 -3.982 -12.625 1.644 1.00 13.50 H new ATOM 0 HB3 LYS A 45 -4.698 -13.737 2.794 1.00 13.50 H new ATOM 0 HG2 LYS A 45 -2.850 -15.402 2.156 1.00 54.10 H new ATOM 0 HG3 LYS A 45 -2.090 -14.095 1.270 1.00 54.10 H new ATOM 0 HD2 LYS A 45 -1.032 -13.607 3.222 1.00 22.23 H new ATOM 0 HD3 LYS A 45 -2.550 -12.883 3.715 1.00 22.23 H new ATOM 0 HE2 LYS A 45 -1.905 -15.819 4.195 1.00 4.20 H new ATOM 0 HE3 LYS A 45 -1.489 -14.563 5.345 1.00 4.20 H new ATOM 0 HZ1 LYS A 45 -3.590 -15.602 5.903 1.00 53.34 H new ATOM 0 HZ2 LYS A 45 -3.840 -13.971 5.505 1.00 53.34 H new ATOM 0 HZ3 LYS A 45 -4.243 -15.188 4.392 1.00 53.34 H new ATOM 692 N ASP A 46 -7.267 -14.239 1.476 1.00 64.52 N ATOM 693 CA ASP A 46 -8.656 -13.736 1.514 1.00 63.14 C ATOM 694 C ASP A 46 -8.736 -12.380 2.237 1.00 45.14 C ATOM 695 O ASP A 46 -9.406 -11.463 1.752 1.00 24.44 O ATOM 696 CB ASP A 46 -9.590 -14.755 2.201 1.00 62.53 C ATOM 697 CG ASP A 46 -9.862 -15.982 1.344 1.00 70.21 C ATOM 698 OD1 ASP A 46 -10.790 -15.928 0.510 1.00 50.01 O ATOM 699 OD2 ASP A 46 -9.148 -16.994 1.508 1.00 71.41 O1- ATOM 0 H ASP A 46 -7.086 -15.010 2.118 1.00 64.52 H new ATOM 0 HA ASP A 46 -8.984 -13.598 0.484 1.00 63.14 H new ATOM 0 HB2 ASP A 46 -9.145 -15.069 3.145 1.00 62.53 H new ATOM 0 HB3 ASP A 46 -10.536 -14.269 2.441 1.00 62.53 H new ATOM 704 N THR A 47 -8.049 -12.263 3.394 1.00 64.22 N ATOM 705 CA THR A 47 -8.037 -11.021 4.187 1.00 33.02 C ATOM 706 C THR A 47 -6.596 -10.577 4.495 1.00 30.22 C ATOM 707 O THR A 47 -5.719 -11.418 4.722 1.00 31.33 O ATOM 708 CB THR A 47 -8.825 -11.210 5.497 1.00 35.21 C ATOM 709 OG1 THR A 47 -8.345 -12.333 6.222 1.00 41.53 O ATOM 710 CG2 THR A 47 -10.321 -11.403 5.292 1.00 64.43 C ATOM 0 H THR A 47 -7.495 -13.018 3.798 1.00 64.22 H new ATOM 0 HA THR A 47 -8.517 -10.241 3.596 1.00 33.02 H new ATOM 0 HB THR A 47 -8.670 -10.284 6.050 1.00 35.21 H new ATOM 0 HG1 THR A 47 -8.859 -12.432 7.050 1.00 41.53 H new ATOM 0 HG21 THR A 47 -10.807 -11.529 6.259 1.00 64.43 H new ATOM 0 HG22 THR A 47 -10.735 -10.529 4.789 1.00 64.43 H new ATOM 0 HG23 THR A 47 -10.493 -12.289 4.681 1.00 64.43 H new ATOM 718 N TYR A 48 -6.366 -9.248 4.498 1.00 10.22 N ATOM 719 CA TYR A 48 -5.036 -8.662 4.773 1.00 13.23 C ATOM 720 C TYR A 48 -5.099 -7.721 5.994 1.00 43.54 C ATOM 721 O TYR A 48 -6.179 -7.496 6.552 1.00 63.41 O ATOM 722 CB TYR A 48 -4.502 -7.887 3.534 1.00 25.10 C ATOM 723 CG TYR A 48 -5.030 -8.369 2.181 1.00 72.34 C ATOM 724 CD1 TYR A 48 -4.542 -9.534 1.590 1.00 71.52 C ATOM 725 CD2 TYR A 48 -6.015 -7.655 1.500 1.00 51.24 C ATOM 726 CE1 TYR A 48 -5.020 -9.968 0.367 1.00 42.24 C ATOM 727 CE2 TYR A 48 -6.495 -8.086 0.277 1.00 42.20 C ATOM 728 CZ TYR A 48 -5.994 -9.242 -0.284 1.00 33.33 C ATOM 729 OH TYR A 48 -6.470 -9.674 -1.502 1.00 52.04 O ATOM 0 H TYR A 48 -7.090 -8.554 4.311 1.00 10.22 H new ATOM 0 HA TYR A 48 -4.350 -9.480 4.992 1.00 13.23 H new ATOM 0 HB2 TYR A 48 -4.755 -6.833 3.649 1.00 25.10 H new ATOM 0 HB3 TYR A 48 -3.414 -7.955 3.525 1.00 25.10 H new ATOM 0 HD1 TYR A 48 -3.778 -10.107 2.096 1.00 71.52 H new ATOM 0 HD2 TYR A 48 -6.410 -6.749 1.935 1.00 51.24 H new ATOM 0 HE1 TYR A 48 -4.631 -10.873 -0.076 1.00 42.24 H new ATOM 0 HE2 TYR A 48 -7.258 -7.520 -0.236 1.00 42.20 H new ATOM 0 HH TYR A 48 -7.153 -9.051 -1.826 1.00 52.04 H new ATOM 739 N THR A 49 -3.938 -7.162 6.395 1.00 53.42 N ATOM 740 CA THR A 49 -3.857 -6.228 7.537 1.00 4.41 C ATOM 741 C THR A 49 -3.385 -4.839 7.067 1.00 43.23 C ATOM 742 O THR A 49 -2.930 -4.684 5.927 1.00 71.24 O ATOM 743 CB THR A 49 -2.912 -6.777 8.629 1.00 4.13 C ATOM 744 OG1 THR A 49 -1.660 -7.153 8.076 1.00 52.34 O ATOM 745 CG2 THR A 49 -3.465 -7.984 9.371 1.00 30.10 C ATOM 0 H THR A 49 -3.042 -7.342 5.943 1.00 53.42 H new ATOM 0 HA THR A 49 -4.854 -6.129 7.966 1.00 4.41 H new ATOM 0 HB THR A 49 -2.803 -5.957 9.339 1.00 4.13 H new ATOM 0 HG1 THR A 49 -1.642 -8.123 7.937 1.00 52.34 H new ATOM 0 HG21 THR A 49 -2.745 -8.311 10.121 1.00 30.10 H new ATOM 0 HG22 THR A 49 -4.401 -7.713 9.860 1.00 30.10 H new ATOM 0 HG23 THR A 49 -3.646 -8.794 8.664 1.00 30.10 H new ATOM 753 N MET A 50 -3.496 -3.831 7.955 1.00 32.13 N ATOM 754 CA MET A 50 -3.081 -2.444 7.643 1.00 50.24 C ATOM 755 C MET A 50 -1.538 -2.267 7.655 1.00 11.42 C ATOM 756 O MET A 50 -1.033 -1.270 7.130 1.00 32.33 O ATOM 757 CB MET A 50 -3.747 -1.460 8.634 1.00 63.21 C ATOM 758 CG MET A 50 -3.863 -0.015 8.131 1.00 22.50 C ATOM 759 SD MET A 50 -5.147 0.218 6.877 1.00 33.05 S ATOM 760 CE MET A 50 -4.897 1.941 6.443 1.00 44.03 C ATOM 0 H MET A 50 -3.870 -3.950 8.896 1.00 32.13 H new ATOM 0 HA MET A 50 -3.415 -2.224 6.629 1.00 50.24 H new ATOM 0 HB2 MET A 50 -4.745 -1.827 8.872 1.00 63.21 H new ATOM 0 HB3 MET A 50 -3.177 -1.461 9.563 1.00 63.21 H new ATOM 0 HG2 MET A 50 -4.071 0.639 8.977 1.00 22.50 H new ATOM 0 HG3 MET A 50 -2.903 0.295 7.717 1.00 22.50 H new ATOM 0 HE1 MET A 50 -5.328 2.135 5.461 1.00 44.03 H new ATOM 0 HE2 MET A 50 -5.382 2.577 7.184 1.00 44.03 H new ATOM 0 HE3 MET A 50 -3.829 2.159 6.420 1.00 44.03 H new ATOM 770 N LYS A 51 -0.801 -3.236 8.244 1.00 4.04 N ATOM 771 CA LYS A 51 0.673 -3.194 8.312 1.00 31.11 C ATOM 772 C LYS A 51 1.305 -3.885 7.083 1.00 3.43 C ATOM 773 O LYS A 51 2.303 -3.398 6.543 1.00 44.11 O ATOM 774 CB LYS A 51 1.155 -3.867 9.620 1.00 44.53 C ATOM 775 CG LYS A 51 2.662 -3.730 9.911 1.00 51.30 C ATOM 776 CD LYS A 51 3.454 -4.996 9.555 1.00 40.54 C ATOM 777 CE LYS A 51 3.328 -6.092 10.621 1.00 15.13 C ATOM 778 NZ LYS A 51 3.488 -7.463 10.048 1.00 43.54 N1+ ATOM 0 H LYS A 51 -1.210 -4.062 8.682 1.00 4.04 H new ATOM 0 HA LYS A 51 0.991 -2.152 8.308 1.00 31.11 H new ATOM 0 HB2 LYS A 51 0.600 -3.441 10.455 1.00 44.53 H new ATOM 0 HB3 LYS A 51 0.904 -4.927 9.578 1.00 44.53 H new ATOM 0 HG2 LYS A 51 3.061 -2.887 9.347 1.00 51.30 H new ATOM 0 HG3 LYS A 51 2.804 -3.503 10.968 1.00 51.30 H new ATOM 0 HD2 LYS A 51 3.102 -5.383 8.599 1.00 40.54 H new ATOM 0 HD3 LYS A 51 4.505 -4.738 9.427 1.00 40.54 H new ATOM 0 HE2 LYS A 51 4.081 -5.933 11.393 1.00 15.13 H new ATOM 0 HE3 LYS A 51 2.354 -6.014 11.105 1.00 15.13 H new ATOM 0 HZ1 LYS A 51 3.395 -8.169 10.806 1.00 43.54 H new ATOM 0 HZ2 LYS A 51 2.754 -7.627 9.330 1.00 43.54 H new ATOM 0 HZ3 LYS A 51 4.427 -7.548 9.609 1.00 43.54 H new ATOM 792 N GLU A 52 0.718 -5.023 6.657 1.00 35.22 N ATOM 793 CA GLU A 52 1.215 -5.799 5.498 1.00 74.23 C ATOM 794 C GLU A 52 0.857 -5.146 4.144 1.00 70.02 C ATOM 795 O GLU A 52 1.521 -5.420 3.140 1.00 42.43 O ATOM 796 CB GLU A 52 0.657 -7.237 5.541 1.00 2.22 C ATOM 797 CG GLU A 52 1.200 -8.083 6.692 1.00 31.32 C ATOM 798 CD GLU A 52 0.614 -9.486 6.724 1.00 32.32 C ATOM 799 OE1 GLU A 52 -0.465 -9.667 7.329 1.00 72.31 O ATOM 800 OE2 GLU A 52 1.233 -10.403 6.141 1.00 41.14 O1- ATOM 0 H GLU A 52 -0.106 -5.428 7.101 1.00 35.22 H new ATOM 0 HA GLU A 52 2.302 -5.816 5.575 1.00 74.23 H new ATOM 0 HB2 GLU A 52 -0.429 -7.192 5.619 1.00 2.22 H new ATOM 0 HB3 GLU A 52 0.889 -7.733 4.599 1.00 2.22 H new ATOM 0 HG2 GLU A 52 2.285 -8.150 6.607 1.00 31.32 H new ATOM 0 HG3 GLU A 52 0.985 -7.583 7.636 1.00 31.32 H new ATOM 807 N VAL A 53 -0.194 -4.293 4.116 1.00 52.02 N ATOM 808 CA VAL A 53 -0.639 -3.619 2.876 1.00 31.53 C ATOM 809 C VAL A 53 0.446 -2.678 2.283 1.00 21.23 C ATOM 810 O VAL A 53 0.515 -2.517 1.061 1.00 5.41 O ATOM 811 CB VAL A 53 -1.996 -2.860 3.102 1.00 21.21 C ATOM 812 CG1 VAL A 53 -1.830 -1.594 3.952 1.00 44.31 C ATOM 813 CG2 VAL A 53 -2.692 -2.545 1.773 1.00 25.54 C ATOM 0 H VAL A 53 -0.749 -4.056 4.939 1.00 52.02 H new ATOM 0 HA VAL A 53 -0.806 -4.401 2.135 1.00 31.53 H new ATOM 0 HB VAL A 53 -2.636 -3.537 3.667 1.00 21.21 H new ATOM 0 HG11 VAL A 53 -2.799 -1.110 4.076 1.00 44.31 H new ATOM 0 HG12 VAL A 53 -1.430 -1.862 4.930 1.00 44.31 H new ATOM 0 HG13 VAL A 53 -1.143 -0.909 3.455 1.00 44.31 H new ATOM 0 HG21 VAL A 53 -3.627 -2.020 1.968 1.00 25.54 H new ATOM 0 HG22 VAL A 53 -2.043 -1.917 1.163 1.00 25.54 H new ATOM 0 HG23 VAL A 53 -2.901 -3.474 1.243 1.00 25.54 H new ATOM 823 N LEU A 54 1.292 -2.076 3.151 1.00 51.11 N ATOM 824 CA LEU A 54 2.376 -1.171 2.705 1.00 62.11 C ATOM 825 C LEU A 54 3.596 -1.958 2.161 1.00 34.51 C ATOM 826 O LEU A 54 4.321 -1.438 1.307 1.00 32.01 O ATOM 827 CB LEU A 54 2.815 -0.217 3.854 1.00 22.51 C ATOM 828 CG LEU A 54 2.123 1.172 3.913 1.00 51.23 C ATOM 829 CD1 LEU A 54 2.592 2.081 2.770 1.00 42.23 C ATOM 830 CD2 LEU A 54 0.593 1.044 3.918 1.00 44.10 C ATOM 0 H LEU A 54 1.245 -2.201 4.162 1.00 51.11 H new ATOM 0 HA LEU A 54 1.976 -0.571 1.888 1.00 62.11 H new ATOM 0 HB2 LEU A 54 2.640 -0.724 4.803 1.00 22.51 H new ATOM 0 HB3 LEU A 54 3.890 -0.058 3.771 1.00 22.51 H new ATOM 0 HG LEU A 54 2.419 1.637 4.854 1.00 51.23 H new ATOM 0 HD11 LEU A 54 2.088 3.045 2.841 1.00 42.23 H new ATOM 0 HD12 LEU A 54 3.670 2.229 2.841 1.00 42.23 H new ATOM 0 HD13 LEU A 54 2.352 1.616 1.814 1.00 42.23 H new ATOM 0 HD21 LEU A 54 0.145 2.037 3.960 1.00 44.10 H new ATOM 0 HD22 LEU A 54 0.267 0.537 3.010 1.00 44.10 H new ATOM 0 HD23 LEU A 54 0.279 0.467 4.788 1.00 44.10 H new ATOM 842 N PHE A 55 3.816 -3.207 2.648 1.00 74.35 N ATOM 843 CA PHE A 55 4.945 -4.050 2.187 1.00 21.43 C ATOM 844 C PHE A 55 4.729 -4.518 0.729 1.00 65.23 C ATOM 845 O PHE A 55 5.677 -4.516 -0.065 1.00 33.40 O ATOM 846 CB PHE A 55 5.146 -5.265 3.131 1.00 50.43 C ATOM 847 CG PHE A 55 6.386 -6.100 2.840 1.00 54.23 C ATOM 848 CD1 PHE A 55 7.633 -5.726 3.330 1.00 75.31 C ATOM 849 CD2 PHE A 55 6.296 -7.261 2.079 1.00 63.25 C ATOM 850 CE1 PHE A 55 8.754 -6.489 3.066 1.00 63.24 C ATOM 851 CE2 PHE A 55 7.418 -8.023 1.815 1.00 61.23 C ATOM 852 CZ PHE A 55 8.647 -7.636 2.308 1.00 43.52 C ATOM 0 H PHE A 55 3.229 -3.648 3.356 1.00 74.35 H new ATOM 0 HA PHE A 55 5.850 -3.443 2.215 1.00 21.43 H new ATOM 0 HB2 PHE A 55 5.201 -4.904 4.158 1.00 50.43 H new ATOM 0 HB3 PHE A 55 4.268 -5.908 3.065 1.00 50.43 H new ATOM 0 HD1 PHE A 55 7.726 -4.829 3.924 1.00 75.31 H new ATOM 0 HD2 PHE A 55 5.337 -7.571 1.690 1.00 63.25 H new ATOM 0 HE1 PHE A 55 9.716 -6.187 3.454 1.00 63.24 H new ATOM 0 HE2 PHE A 55 7.333 -8.922 1.222 1.00 61.23 H new ATOM 0 HZ PHE A 55 9.524 -8.231 2.101 1.00 43.52 H new ATOM 862 N TYR A 56 3.477 -4.903 0.379 1.00 23.42 N ATOM 863 CA TYR A 56 3.144 -5.353 -0.992 1.00 63.40 C ATOM 864 C TYR A 56 3.179 -4.174 -1.986 1.00 14.31 C ATOM 865 O TYR A 56 3.649 -4.336 -3.116 1.00 14.21 O ATOM 866 CB TYR A 56 1.759 -6.040 -1.048 1.00 72.20 C ATOM 867 CG TYR A 56 1.657 -7.341 -0.254 1.00 34.14 C ATOM 868 CD1 TYR A 56 2.388 -8.472 -0.621 1.00 12.22 C ATOM 869 CD2 TYR A 56 0.821 -7.440 0.856 1.00 3.31 C ATOM 870 CE1 TYR A 56 2.288 -9.650 0.094 1.00 23.52 C ATOM 871 CE2 TYR A 56 0.716 -8.615 1.571 1.00 51.14 C ATOM 872 CZ TYR A 56 1.452 -9.717 1.188 1.00 74.42 C ATOM 873 OH TYR A 56 1.344 -10.892 1.898 1.00 3.25 O ATOM 0 H TYR A 56 2.687 -4.910 1.024 1.00 23.42 H new ATOM 0 HA TYR A 56 3.901 -6.083 -1.279 1.00 63.40 H new ATOM 0 HB2 TYR A 56 1.008 -5.343 -0.675 1.00 72.20 H new ATOM 0 HB3 TYR A 56 1.513 -6.246 -2.090 1.00 72.20 H new ATOM 0 HD1 TYR A 56 3.043 -8.426 -1.478 1.00 12.22 H new ATOM 0 HD2 TYR A 56 0.244 -6.580 1.163 1.00 3.31 H new ATOM 0 HE1 TYR A 56 2.863 -10.515 -0.203 1.00 23.52 H new ATOM 0 HE2 TYR A 56 0.060 -8.672 2.427 1.00 51.14 H new ATOM 0 HH TYR A 56 0.715 -10.770 2.639 1.00 3.25 H new ATOM 883 N LEU A 57 2.697 -2.984 -1.547 1.00 4.55 N ATOM 884 CA LEU A 57 2.692 -1.764 -2.391 1.00 70.43 C ATOM 885 C LEU A 57 4.132 -1.280 -2.666 1.00 1.34 C ATOM 886 O LEU A 57 4.454 -0.897 -3.794 1.00 43.14 O ATOM 887 CB LEU A 57 1.858 -0.632 -1.731 1.00 34.22 C ATOM 888 CG LEU A 57 0.966 0.197 -2.689 1.00 24.04 C ATOM 889 CD1 LEU A 57 -0.103 0.967 -1.907 1.00 64.54 C ATOM 890 CD2 LEU A 57 1.803 1.155 -3.547 1.00 14.33 C ATOM 0 H LEU A 57 2.308 -2.844 -0.615 1.00 4.55 H new ATOM 0 HA LEU A 57 2.226 -2.021 -3.343 1.00 70.43 H new ATOM 0 HB2 LEU A 57 1.221 -1.075 -0.965 1.00 34.22 H new ATOM 0 HB3 LEU A 57 2.542 0.048 -1.223 1.00 34.22 H new ATOM 0 HG LEU A 57 0.467 -0.501 -3.361 1.00 24.04 H new ATOM 0 HD11 LEU A 57 -0.717 1.542 -2.600 1.00 64.54 H new ATOM 0 HD12 LEU A 57 -0.732 0.264 -1.362 1.00 64.54 H new ATOM 0 HD13 LEU A 57 0.379 1.644 -1.202 1.00 64.54 H new ATOM 0 HD21 LEU A 57 1.146 1.721 -4.207 1.00 14.33 H new ATOM 0 HD22 LEU A 57 2.346 1.843 -2.899 1.00 14.33 H new ATOM 0 HD23 LEU A 57 2.512 0.583 -4.145 1.00 14.33 H new ATOM 902 N GLY A 58 4.994 -1.322 -1.623 1.00 2.01 N ATOM 903 CA GLY A 58 6.397 -0.912 -1.753 1.00 13.34 C ATOM 904 C GLY A 58 7.227 -1.837 -2.649 1.00 43.41 C ATOM 905 O GLY A 58 8.208 -1.390 -3.249 1.00 61.05 O ATOM 0 H GLY A 58 4.736 -1.636 -0.688 1.00 2.01 H new ATOM 0 HA2 GLY A 58 6.435 0.100 -2.156 1.00 13.34 H new ATOM 0 HA3 GLY A 58 6.850 -0.878 -0.762 1.00 13.34 H new ATOM 909 N GLN A 59 6.829 -3.128 -2.741 1.00 33.41 N ATOM 910 CA GLN A 59 7.531 -4.133 -3.570 1.00 73.20 C ATOM 911 C GLN A 59 7.283 -3.932 -5.089 1.00 24.12 C ATOM 912 O GLN A 59 8.065 -4.426 -5.906 1.00 53.22 O ATOM 913 CB GLN A 59 7.095 -5.557 -3.147 1.00 30.44 C ATOM 914 CG GLN A 59 8.048 -6.683 -3.568 1.00 41.43 C ATOM 915 CD GLN A 59 9.371 -6.681 -2.801 1.00 52.30 C ATOM 916 OE1 GLN A 59 9.386 -6.747 -1.570 1.00 12.34 O ATOM 917 NE2 GLN A 59 10.494 -6.611 -3.520 1.00 65.53 N ATOM 0 H GLN A 59 6.018 -3.499 -2.246 1.00 33.41 H new ATOM 0 HA GLN A 59 8.600 -4.003 -3.400 1.00 73.20 H new ATOM 0 HB2 GLN A 59 6.988 -5.580 -2.063 1.00 30.44 H new ATOM 0 HB3 GLN A 59 6.111 -5.759 -3.569 1.00 30.44 H new ATOM 0 HG2 GLN A 59 7.552 -7.642 -3.419 1.00 41.43 H new ATOM 0 HG3 GLN A 59 8.255 -6.593 -4.634 1.00 41.43 H new ATOM 0 HE21 GLN A 59 10.446 -6.557 -4.537 1.00 65.53 H new ATOM 0 HE22 GLN A 59 11.400 -6.611 -3.052 1.00 65.53 H new ATOM 926 N TYR A 60 6.194 -3.222 -5.458 1.00 14.22 N ATOM 927 CA TYR A 60 5.842 -2.975 -6.874 1.00 52.34 C ATOM 928 C TYR A 60 6.681 -1.842 -7.503 1.00 5.03 C ATOM 929 O TYR A 60 7.078 -1.944 -8.667 1.00 23.42 O ATOM 930 CB TYR A 60 4.333 -2.654 -6.984 1.00 11.51 C ATOM 931 CG TYR A 60 3.800 -2.469 -8.409 1.00 43.21 C ATOM 932 CD1 TYR A 60 3.826 -3.512 -9.333 1.00 21.05 C ATOM 933 CD2 TYR A 60 3.258 -1.249 -8.820 1.00 73.35 C ATOM 934 CE1 TYR A 60 3.335 -3.346 -10.615 1.00 23.12 C ATOM 935 CE2 TYR A 60 2.763 -1.080 -10.100 1.00 70.53 C ATOM 936 CZ TYR A 60 2.804 -2.130 -10.992 1.00 4.54 C ATOM 937 OH TYR A 60 2.308 -1.966 -12.267 1.00 10.23 O ATOM 0 H TYR A 60 5.541 -2.809 -4.792 1.00 14.22 H new ATOM 0 HA TYR A 60 6.070 -3.882 -7.434 1.00 52.34 H new ATOM 0 HB2 TYR A 60 3.773 -3.458 -6.507 1.00 11.51 H new ATOM 0 HB3 TYR A 60 4.131 -1.745 -6.418 1.00 11.51 H new ATOM 0 HD1 TYR A 60 4.237 -4.467 -9.042 1.00 21.05 H new ATOM 0 HD2 TYR A 60 3.225 -0.423 -8.125 1.00 73.35 H new ATOM 0 HE1 TYR A 60 3.367 -4.165 -11.318 1.00 23.12 H new ATOM 0 HE2 TYR A 60 2.346 -0.130 -10.399 1.00 70.53 H new ATOM 0 HH TYR A 60 1.790 -1.135 -12.312 1.00 10.23 H new ATOM 947 N ILE A 61 6.928 -0.755 -6.743 1.00 11.23 N ATOM 948 CA ILE A 61 7.700 0.400 -7.252 1.00 61.14 C ATOM 949 C ILE A 61 9.221 0.118 -7.343 1.00 74.14 C ATOM 950 O ILE A 61 9.906 0.723 -8.174 1.00 40.12 O ATOM 951 CB ILE A 61 7.439 1.704 -6.415 1.00 21.11 C ATOM 952 CG1 ILE A 61 8.020 1.606 -4.973 1.00 55.21 C ATOM 953 CG2 ILE A 61 5.939 2.027 -6.373 1.00 30.11 C ATOM 954 CD1 ILE A 61 9.329 2.353 -4.775 1.00 15.44 C ATOM 0 H ILE A 61 6.607 -0.652 -5.780 1.00 11.23 H new ATOM 0 HA ILE A 61 7.336 0.565 -8.266 1.00 61.14 H new ATOM 0 HB ILE A 61 7.962 2.518 -6.917 1.00 21.11 H new ATOM 0 HG12 ILE A 61 7.283 1.994 -4.270 1.00 55.21 H new ATOM 0 HG13 ILE A 61 8.174 0.555 -4.726 1.00 55.21 H new ATOM 0 HG21 ILE A 61 5.778 2.933 -5.789 1.00 30.11 H new ATOM 0 HG22 ILE A 61 5.571 2.179 -7.388 1.00 30.11 H new ATOM 0 HG23 ILE A 61 5.401 1.198 -5.912 1.00 30.11 H new ATOM 0 HD11 ILE A 61 9.664 2.233 -3.745 1.00 15.44 H new ATOM 0 HD12 ILE A 61 10.083 1.950 -5.451 1.00 15.44 H new ATOM 0 HD13 ILE A 61 9.180 3.412 -4.987 1.00 15.44 H new ATOM 966 N MET A 62 9.743 -0.792 -6.488 1.00 72.10 N ATOM 967 CA MET A 62 11.184 -1.136 -6.483 1.00 13.01 C ATOM 968 C MET A 62 11.537 -2.211 -7.534 1.00 13.14 C ATOM 969 O MET A 62 12.603 -2.131 -8.152 1.00 41.41 O ATOM 970 CB MET A 62 11.664 -1.570 -5.074 1.00 1.52 C ATOM 971 CG MET A 62 10.919 -2.756 -4.451 1.00 41.05 C ATOM 972 SD MET A 62 11.410 -3.075 -2.740 1.00 40.25 S ATOM 973 CE MET A 62 12.955 -3.955 -2.965 1.00 51.14 C ATOM 0 H MET A 62 9.191 -1.299 -5.796 1.00 72.10 H new ATOM 0 HA MET A 62 11.716 -0.225 -6.758 1.00 13.01 H new ATOM 0 HB2 MET A 62 12.723 -1.821 -5.133 1.00 1.52 H new ATOM 0 HB3 MET A 62 11.576 -0.716 -4.402 1.00 1.52 H new ATOM 0 HG2 MET A 62 9.847 -2.564 -4.486 1.00 41.05 H new ATOM 0 HG3 MET A 62 11.103 -3.649 -5.049 1.00 41.05 H new ATOM 0 HE1 MET A 62 13.371 -4.215 -1.992 1.00 51.14 H new ATOM 0 HE2 MET A 62 12.775 -4.865 -3.537 1.00 51.14 H new ATOM 0 HE3 MET A 62 13.660 -3.321 -3.503 1.00 51.14 H new ATOM 983 N THR A 63 10.645 -3.209 -7.739 1.00 31.04 N ATOM 984 CA THR A 63 10.883 -4.288 -8.729 1.00 42.11 C ATOM 985 C THR A 63 10.771 -3.775 -10.186 1.00 40.53 C ATOM 986 O THR A 63 11.497 -4.253 -11.064 1.00 15.34 O ATOM 987 CB THR A 63 9.922 -5.484 -8.491 1.00 64.14 C ATOM 988 OG1 THR A 63 10.336 -6.614 -9.247 1.00 13.10 O ATOM 989 CG2 THR A 63 8.460 -5.221 -8.842 1.00 23.53 C ATOM 0 H THR A 63 9.761 -3.290 -7.237 1.00 31.04 H new ATOM 0 HA THR A 63 11.906 -4.634 -8.585 1.00 42.11 H new ATOM 0 HB THR A 63 9.978 -5.657 -7.416 1.00 64.14 H new ATOM 0 HG1 THR A 63 9.721 -7.359 -9.085 1.00 13.10 H new ATOM 0 HG21 THR A 63 7.871 -6.116 -8.641 1.00 23.53 H new ATOM 0 HG22 THR A 63 8.084 -4.395 -8.238 1.00 23.53 H new ATOM 0 HG23 THR A 63 8.380 -4.964 -9.898 1.00 23.53 H new ATOM 997 N LYS A 64 9.863 -2.800 -10.428 1.00 5.33 N ATOM 998 CA LYS A 64 9.654 -2.216 -11.773 1.00 44.13 C ATOM 999 C LYS A 64 10.675 -1.098 -12.100 1.00 75.43 C ATOM 1000 O LYS A 64 10.713 -0.626 -13.242 1.00 71.34 O ATOM 1001 CB LYS A 64 8.214 -1.663 -11.906 1.00 23.24 C ATOM 1002 CG LYS A 64 7.107 -2.727 -11.822 1.00 3.41 C ATOM 1003 CD LYS A 64 6.947 -3.527 -13.123 1.00 74.55 C ATOM 1004 CE LYS A 64 6.095 -2.792 -14.160 1.00 51.33 C ATOM 1005 NZ LYS A 64 5.993 -3.549 -15.443 1.00 23.11 N1+ ATOM 0 H LYS A 64 9.262 -2.401 -9.707 1.00 5.33 H new ATOM 0 HA LYS A 64 9.807 -3.021 -12.492 1.00 44.13 H new ATOM 0 HB2 LYS A 64 8.049 -0.924 -11.122 1.00 23.24 H new ATOM 0 HB3 LYS A 64 8.126 -1.141 -12.859 1.00 23.24 H new ATOM 0 HG2 LYS A 64 7.331 -3.413 -11.005 1.00 3.41 H new ATOM 0 HG3 LYS A 64 6.161 -2.242 -11.581 1.00 3.41 H new ATOM 0 HD2 LYS A 64 7.931 -3.731 -13.544 1.00 74.55 H new ATOM 0 HD3 LYS A 64 6.490 -4.491 -12.899 1.00 74.55 H new ATOM 0 HE2 LYS A 64 5.096 -2.627 -13.756 1.00 51.33 H new ATOM 0 HE3 LYS A 64 6.527 -1.810 -14.353 1.00 51.33 H new ATOM 0 HZ1 LYS A 64 5.407 -3.014 -16.116 1.00 23.11 H new ATOM 0 HZ2 LYS A 64 6.944 -3.684 -15.843 1.00 23.11 H new ATOM 0 HZ3 LYS A 64 5.557 -4.476 -15.265 1.00 23.11 H new ATOM 1019 N ARG A 65 11.496 -0.677 -11.099 1.00 74.43 N ATOM 1020 CA ARG A 65 12.520 0.380 -11.263 1.00 73.54 C ATOM 1021 C ARG A 65 11.884 1.745 -11.588 1.00 71.01 C ATOM 1022 O ARG A 65 12.034 2.268 -12.701 1.00 10.55 O ATOM 1023 CB ARG A 65 13.575 -0.005 -12.329 1.00 31.01 C ATOM 1024 CG ARG A 65 14.430 -1.217 -11.958 1.00 42.41 C ATOM 1025 CD ARG A 65 14.957 -1.944 -13.194 1.00 13.51 C ATOM 1026 NE ARG A 65 16.029 -2.895 -12.866 1.00 10.02 N ATOM 1027 CZ ARG A 65 17.344 -2.596 -12.772 1.00 1.42 C ATOM 1028 NH1 ARG A 65 17.797 -1.344 -12.950 1.00 42.33 N1+ ATOM 1029 NH2 ARG A 65 18.214 -3.567 -12.485 1.00 22.22 N ATOM 0 H ARG A 65 11.462 -1.065 -10.156 1.00 74.43 H new ATOM 0 HA ARG A 65 13.033 0.473 -10.306 1.00 73.54 H new ATOM 0 HB2 ARG A 65 13.065 -0.209 -13.271 1.00 31.01 H new ATOM 0 HB3 ARG A 65 14.230 0.849 -12.500 1.00 31.01 H new ATOM 0 HG2 ARG A 65 15.269 -0.894 -11.342 1.00 42.41 H new ATOM 0 HG3 ARG A 65 13.839 -1.907 -11.356 1.00 42.41 H new ATOM 0 HD2 ARG A 65 14.137 -2.476 -13.677 1.00 13.51 H new ATOM 0 HD3 ARG A 65 15.330 -1.213 -13.912 1.00 13.51 H new ATOM 0 HE ARG A 65 15.757 -3.863 -12.695 1.00 10.02 H new ATOM 0 HH11 ARG A 65 17.143 -0.590 -13.162 1.00 42.33 H new ATOM 0 HH12 ARG A 65 18.795 -1.147 -12.873 1.00 42.33 H new ATOM 0 HH21 ARG A 65 17.884 -4.521 -12.340 1.00 22.22 H new ATOM 0 HH22 ARG A 65 19.209 -3.355 -12.411 1.00 22.22 H new ATOM 1043 N LEU A 66 11.180 2.320 -10.596 1.00 44.41 N ATOM 1044 CA LEU A 66 10.525 3.629 -10.747 1.00 64.22 C ATOM 1045 C LEU A 66 11.376 4.738 -10.103 1.00 33.15 C ATOM 1046 O LEU A 66 11.535 5.812 -10.693 1.00 22.04 O ATOM 1047 CB LEU A 66 9.102 3.613 -10.140 1.00 34.25 C ATOM 1048 CG LEU A 66 8.162 2.470 -10.611 1.00 34.42 C ATOM 1049 CD1 LEU A 66 6.766 2.628 -10.004 1.00 51.23 C ATOM 1050 CD2 LEU A 66 8.069 2.398 -12.140 1.00 42.22 C ATOM 0 H LEU A 66 11.051 1.895 -9.678 1.00 44.41 H new ATOM 0 HA LEU A 66 10.434 3.838 -11.813 1.00 64.22 H new ATOM 0 HB2 LEU A 66 9.194 3.554 -9.055 1.00 34.25 H new ATOM 0 HB3 LEU A 66 8.623 4.565 -10.368 1.00 34.25 H new ATOM 0 HG LEU A 66 8.596 1.534 -10.260 1.00 34.42 H new ATOM 0 HD11 LEU A 66 6.126 1.816 -10.348 1.00 51.23 H new ATOM 0 HD12 LEU A 66 6.837 2.598 -8.917 1.00 51.23 H new ATOM 0 HD13 LEU A 66 6.340 3.582 -10.314 1.00 51.23 H new ATOM 0 HD21 LEU A 66 7.402 1.585 -12.426 1.00 42.22 H new ATOM 0 HD22 LEU A 66 7.679 3.340 -12.526 1.00 42.22 H new ATOM 0 HD23 LEU A 66 9.060 2.218 -12.557 1.00 42.22 H new ATOM 1062 N TYR A 67 11.935 4.463 -8.899 1.00 41.21 N ATOM 1063 CA TYR A 67 12.786 5.428 -8.179 1.00 10.21 C ATOM 1064 C TYR A 67 14.280 5.087 -8.377 1.00 60.23 C ATOM 1065 O TYR A 67 14.723 3.987 -8.028 1.00 4.45 O ATOM 1066 CB TYR A 67 12.391 5.496 -6.672 1.00 54.23 C ATOM 1067 CG TYR A 67 13.000 4.432 -5.747 1.00 21.13 C ATOM 1068 CD1 TYR A 67 12.564 3.108 -5.779 1.00 5.21 C ATOM 1069 CD2 TYR A 67 14.004 4.765 -4.837 1.00 73.35 C ATOM 1070 CE1 TYR A 67 13.107 2.158 -4.937 1.00 35.32 C ATOM 1071 CE2 TYR A 67 14.550 3.817 -3.996 1.00 1.45 C ATOM 1072 CZ TYR A 67 14.098 2.516 -4.048 1.00 34.43 C ATOM 1073 OH TYR A 67 14.638 1.571 -3.206 1.00 61.32 O ATOM 0 H TYR A 67 11.808 3.577 -8.410 1.00 41.21 H new ATOM 0 HA TYR A 67 12.623 6.421 -8.597 1.00 10.21 H new ATOM 0 HB2 TYR A 67 12.672 6.478 -6.291 1.00 54.23 H new ATOM 0 HB3 TYR A 67 11.306 5.426 -6.602 1.00 54.23 H new ATOM 0 HD1 TYR A 67 11.789 2.821 -6.474 1.00 5.21 H new ATOM 0 HD2 TYR A 67 14.360 5.783 -4.790 1.00 73.35 H new ATOM 0 HE1 TYR A 67 12.756 1.137 -4.975 1.00 35.32 H new ATOM 0 HE2 TYR A 67 15.328 4.093 -3.300 1.00 1.45 H new ATOM 0 HH TYR A 67 15.325 1.987 -2.644 1.00 61.32 H new ATOM 1184 N ILE A 74 12.440 12.120 -3.658 1.00 61.43 N ATOM 1185 CA ILE A 74 11.152 12.045 -4.376 1.00 71.41 C ATOM 1186 C ILE A 74 11.076 10.787 -5.277 1.00 53.33 C ATOM 1187 O ILE A 74 12.090 10.364 -5.843 1.00 32.45 O ATOM 1188 CB ILE A 74 10.909 13.357 -5.207 1.00 53.44 C ATOM 1189 CG1 ILE A 74 9.410 13.527 -5.567 1.00 14.23 C ATOM 1190 CG2 ILE A 74 11.796 13.422 -6.464 1.00 3.21 C ATOM 1191 CD1 ILE A 74 8.992 14.969 -5.794 1.00 44.24 C ATOM 0 HA ILE A 74 10.358 11.958 -3.635 1.00 71.41 H new ATOM 0 HB ILE A 74 11.198 14.193 -4.570 1.00 53.44 H new ATOM 0 HG12 ILE A 74 9.195 12.951 -6.467 1.00 14.23 H new ATOM 0 HG13 ILE A 74 8.804 13.105 -4.765 1.00 14.23 H new ATOM 0 HG21 ILE A 74 11.593 14.346 -7.005 1.00 3.21 H new ATOM 0 HG22 ILE A 74 12.845 13.397 -6.170 1.00 3.21 H new ATOM 0 HG23 ILE A 74 11.579 12.569 -7.107 1.00 3.21 H new ATOM 0 HD11 ILE A 74 7.931 15.006 -6.041 1.00 44.24 H new ATOM 0 HD12 ILE A 74 9.174 15.547 -4.888 1.00 44.24 H new ATOM 0 HD13 ILE A 74 9.571 15.391 -6.616 1.00 44.24 H new ATOM 1203 N VAL A 75 9.864 10.206 -5.400 1.00 31.55 N ATOM 1204 CA VAL A 75 9.628 9.000 -6.228 1.00 70.52 C ATOM 1205 C VAL A 75 8.648 9.310 -7.384 1.00 51.24 C ATOM 1206 O VAL A 75 7.673 10.046 -7.197 1.00 70.41 O ATOM 1207 CB VAL A 75 9.119 7.788 -5.361 1.00 20.04 C ATOM 1208 CG1 VAL A 75 7.927 8.162 -4.472 1.00 12.21 C ATOM 1209 CG2 VAL A 75 8.792 6.558 -6.224 1.00 30.32 C ATOM 0 H VAL A 75 9.027 10.555 -4.933 1.00 31.55 H new ATOM 0 HA VAL A 75 10.584 8.707 -6.662 1.00 70.52 H new ATOM 0 HB VAL A 75 9.946 7.523 -4.702 1.00 20.04 H new ATOM 0 HG11 VAL A 75 7.616 7.291 -3.896 1.00 12.21 H new ATOM 0 HG12 VAL A 75 8.218 8.962 -3.792 1.00 12.21 H new ATOM 0 HG13 VAL A 75 7.099 8.499 -5.096 1.00 12.21 H new ATOM 0 HG21 VAL A 75 8.445 5.747 -5.584 1.00 30.32 H new ATOM 0 HG22 VAL A 75 8.012 6.814 -6.941 1.00 30.32 H new ATOM 0 HG23 VAL A 75 9.687 6.241 -6.759 1.00 30.32 H new ATOM 1219 N TYR A 76 8.931 8.741 -8.580 1.00 72.45 N ATOM 1220 CA TYR A 76 8.100 8.945 -9.787 1.00 33.32 C ATOM 1221 C TYR A 76 7.349 7.654 -10.184 1.00 61.40 C ATOM 1222 O TYR A 76 7.549 6.601 -9.571 1.00 5.01 O ATOM 1223 CB TYR A 76 8.982 9.414 -10.970 1.00 62.04 C ATOM 1224 CG TYR A 76 9.825 10.654 -10.690 1.00 30.14 C ATOM 1225 CD1 TYR A 76 9.318 11.934 -10.905 1.00 62.03 C ATOM 1226 CD2 TYR A 76 11.133 10.542 -10.221 1.00 43.41 C ATOM 1227 CE1 TYR A 76 10.085 13.057 -10.660 1.00 73.22 C ATOM 1228 CE2 TYR A 76 11.904 11.661 -9.975 1.00 15.31 C ATOM 1229 CZ TYR A 76 11.376 12.917 -10.195 1.00 53.14 C ATOM 1230 OH TYR A 76 12.144 14.035 -9.952 1.00 61.43 O ATOM 0 H TYR A 76 9.735 8.133 -8.733 1.00 72.45 H new ATOM 0 HA TYR A 76 7.362 9.712 -9.552 1.00 33.32 H new ATOM 0 HB2 TYR A 76 9.646 8.598 -11.255 1.00 62.04 H new ATOM 0 HB3 TYR A 76 8.339 9.616 -11.826 1.00 62.04 H new ATOM 0 HD1 TYR A 76 8.308 12.050 -11.269 1.00 62.03 H new ATOM 0 HD2 TYR A 76 11.551 9.562 -10.047 1.00 43.41 H new ATOM 0 HE1 TYR A 76 9.675 14.041 -10.832 1.00 73.22 H new ATOM 0 HE2 TYR A 76 12.916 11.554 -9.612 1.00 15.31 H new ATOM 0 HH TYR A 76 13.027 13.761 -9.628 1.00 61.43 H new ATOM 1240 N CYS A 77 6.487 7.753 -11.225 1.00 22.40 N ATOM 1241 CA CYS A 77 5.703 6.608 -11.737 1.00 51.53 C ATOM 1242 C CYS A 77 5.894 6.441 -13.261 1.00 62.24 C ATOM 1243 O CYS A 77 6.299 7.390 -13.945 1.00 74.24 O ATOM 1244 CB CYS A 77 4.204 6.771 -11.388 1.00 5.34 C ATOM 1245 SG CYS A 77 3.396 8.261 -12.043 1.00 52.14 S ATOM 0 H CYS A 77 6.318 8.624 -11.729 1.00 22.40 H new ATOM 0 HA CYS A 77 6.072 5.705 -11.251 1.00 51.53 H new ATOM 0 HB2 CYS A 77 3.667 5.897 -11.758 1.00 5.34 H new ATOM 0 HB3 CYS A 77 4.101 6.772 -10.303 1.00 5.34 H new ATOM 0 HG CYS A 77 2.148 8.273 -11.680 1.00 52.14 H new ATOM 1251 N SER A 78 5.598 5.230 -13.781 1.00 12.22 N ATOM 1252 CA SER A 78 5.734 4.928 -15.221 1.00 23.01 C ATOM 1253 C SER A 78 4.353 4.735 -15.890 1.00 71.15 C ATOM 1254 O SER A 78 4.095 3.708 -16.535 1.00 1.01 O ATOM 1255 CB SER A 78 6.632 3.687 -15.419 1.00 71.15 C ATOM 1256 OG SER A 78 8.007 4.035 -15.353 1.00 75.12 O ATOM 0 H SER A 78 5.263 4.445 -13.223 1.00 12.22 H new ATOM 0 HA SER A 78 6.209 5.780 -15.708 1.00 23.01 H new ATOM 0 HB2 SER A 78 6.405 2.944 -14.654 1.00 71.15 H new ATOM 0 HB3 SER A 78 6.416 3.228 -16.384 1.00 71.15 H new ATOM 0 HG SER A 78 8.554 3.232 -15.480 1.00 75.12 H new ATOM 1262 N ASN A 79 3.469 5.752 -15.741 1.00 34.44 N ATOM 1263 CA ASN A 79 2.105 5.751 -16.328 1.00 44.40 C ATOM 1264 C ASN A 79 1.326 4.445 -16.026 1.00 0.35 C ATOM 1265 O ASN A 79 0.891 3.740 -16.945 1.00 14.13 O ATOM 1266 CB ASN A 79 2.177 6.013 -17.851 1.00 52.55 C ATOM 1267 CG ASN A 79 2.753 7.385 -18.193 1.00 51.01 C ATOM 1268 OD1 ASN A 79 2.009 8.350 -18.375 1.00 12.24 O ATOM 1269 ND2 ASN A 79 4.082 7.484 -18.278 1.00 22.14 N ATOM 0 H ASN A 79 3.681 6.597 -15.210 1.00 34.44 H new ATOM 0 HA ASN A 79 1.549 6.560 -15.854 1.00 44.40 H new ATOM 0 HB2 ASN A 79 2.789 5.241 -18.318 1.00 52.55 H new ATOM 0 HB3 ASN A 79 1.177 5.928 -18.276 1.00 52.55 H new ATOM 0 HD21 ASN A 79 4.513 8.381 -18.500 1.00 22.14 H new ATOM 0 HD22 ASN A 79 4.666 6.662 -18.121 1.00 22.14 H new ATOM 1276 N ASP A 80 1.161 4.138 -14.725 1.00 65.13 N ATOM 1277 CA ASP A 80 0.446 2.928 -14.272 1.00 45.12 C ATOM 1278 C ASP A 80 -0.719 3.311 -13.329 1.00 54.35 C ATOM 1279 O ASP A 80 -1.045 4.498 -13.198 1.00 63.22 O ATOM 1280 CB ASP A 80 1.451 1.959 -13.588 1.00 14.44 C ATOM 1281 CG ASP A 80 1.575 0.626 -14.314 1.00 53.32 C ATOM 1282 OD1 ASP A 80 0.792 -0.296 -14.002 1.00 5.35 O1- ATOM 1283 OD2 ASP A 80 2.447 0.510 -15.202 1.00 22.05 O ATOM 0 H ASP A 80 1.516 4.716 -13.963 1.00 65.13 H new ATOM 0 HA ASP A 80 0.010 2.416 -15.130 1.00 45.12 H new ATOM 0 HB2 ASP A 80 2.431 2.434 -13.540 1.00 14.44 H new ATOM 0 HB3 ASP A 80 1.134 1.780 -12.561 1.00 14.44 H new ATOM 1288 N LEU A 81 -1.353 2.306 -12.678 1.00 33.23 N ATOM 1289 CA LEU A 81 -2.487 2.551 -11.753 1.00 32.31 C ATOM 1290 C LEU A 81 -2.088 3.338 -10.473 1.00 14.23 C ATOM 1291 O LEU A 81 -2.975 3.809 -9.759 1.00 55.41 O ATOM 1292 CB LEU A 81 -3.248 1.238 -11.368 1.00 41.21 C ATOM 1293 CG LEU A 81 -2.452 -0.051 -10.980 1.00 51.42 C ATOM 1294 CD1 LEU A 81 -2.243 -0.974 -12.186 1.00 31.14 C ATOM 1295 CD2 LEU A 81 -1.122 0.247 -10.272 1.00 53.43 C ATOM 0 H LEU A 81 -1.100 1.323 -12.775 1.00 33.23 H new ATOM 0 HA LEU A 81 -3.168 3.185 -12.321 1.00 32.31 H new ATOM 0 HB2 LEU A 81 -3.902 1.478 -10.529 1.00 41.21 H new ATOM 0 HB3 LEU A 81 -3.891 0.979 -12.209 1.00 41.21 H new ATOM 0 HG LEU A 81 -3.075 -0.576 -10.256 1.00 51.42 H new ATOM 0 HD11 LEU A 81 -1.686 -1.858 -11.875 1.00 31.14 H new ATOM 0 HD12 LEU A 81 -3.211 -1.277 -12.585 1.00 31.14 H new ATOM 0 HD13 LEU A 81 -1.683 -0.445 -12.957 1.00 31.14 H new ATOM 0 HD21 LEU A 81 -0.620 -0.690 -10.031 1.00 53.43 H new ATOM 0 HD22 LEU A 81 -0.486 0.841 -10.928 1.00 53.43 H new ATOM 0 HD23 LEU A 81 -1.315 0.802 -9.354 1.00 53.43 H new ATOM 1307 N LEU A 82 -0.767 3.491 -10.190 1.00 72.33 N ATOM 1308 CA LEU A 82 -0.276 4.233 -8.996 1.00 74.31 C ATOM 1309 C LEU A 82 -0.867 5.664 -8.919 1.00 72.21 C ATOM 1310 O LEU A 82 -1.305 6.094 -7.847 1.00 24.24 O ATOM 1311 CB LEU A 82 1.283 4.292 -9.000 1.00 3.35 C ATOM 1312 CG LEU A 82 2.006 4.340 -7.623 1.00 14.52 C ATOM 1313 CD1 LEU A 82 1.581 5.553 -6.790 1.00 64.44 C ATOM 1314 CD2 LEU A 82 1.803 3.040 -6.837 1.00 53.03 C ATOM 0 H LEU A 82 -0.022 3.110 -10.773 1.00 72.33 H new ATOM 0 HA LEU A 82 -0.614 3.691 -8.112 1.00 74.31 H new ATOM 0 HB2 LEU A 82 1.651 3.421 -9.542 1.00 3.35 H new ATOM 0 HB3 LEU A 82 1.584 5.172 -9.568 1.00 3.35 H new ATOM 0 HG LEU A 82 3.071 4.446 -7.832 1.00 14.52 H new ATOM 0 HD11 LEU A 82 2.111 5.544 -5.838 1.00 64.44 H new ATOM 0 HD12 LEU A 82 1.821 6.468 -7.331 1.00 64.44 H new ATOM 0 HD13 LEU A 82 0.507 5.511 -6.608 1.00 64.44 H new ATOM 0 HD21 LEU A 82 2.321 3.108 -5.881 1.00 53.03 H new ATOM 0 HD22 LEU A 82 0.739 2.883 -6.662 1.00 53.03 H new ATOM 0 HD23 LEU A 82 2.204 2.203 -7.408 1.00 53.03 H new ATOM 1326 N GLY A 83 -0.885 6.386 -10.061 1.00 15.24 N ATOM 1327 CA GLY A 83 -1.430 7.751 -10.105 1.00 23.22 C ATOM 1328 C GLY A 83 -2.956 7.834 -9.951 1.00 72.31 C ATOM 1329 O GLY A 83 -3.479 8.910 -9.648 1.00 53.22 O ATOM 0 H GLY A 83 -0.530 6.046 -10.955 1.00 15.24 H new ATOM 0 HA2 GLY A 83 -0.965 8.340 -9.314 1.00 23.22 H new ATOM 0 HA3 GLY A 83 -1.148 8.211 -11.052 1.00 23.22 H new ATOM 1333 N ASP A 84 -3.672 6.706 -10.160 1.00 24.12 N ATOM 1334 CA ASP A 84 -5.146 6.663 -10.046 1.00 24.44 C ATOM 1335 C ASP A 84 -5.621 6.707 -8.575 1.00 64.42 C ATOM 1336 O ASP A 84 -6.609 7.383 -8.272 1.00 42.50 O ATOM 1337 CB ASP A 84 -5.701 5.401 -10.746 1.00 23.44 C ATOM 1338 CG ASP A 84 -7.165 5.531 -11.143 1.00 35.52 C ATOM 1339 OD1 ASP A 84 -7.438 6.076 -12.235 1.00 52.01 O1- ATOM 1340 OD2 ASP A 84 -8.035 5.090 -10.363 1.00 11.03 O ATOM 0 H ASP A 84 -3.250 5.811 -10.409 1.00 24.12 H new ATOM 0 HA ASP A 84 -5.534 7.553 -10.541 1.00 24.44 H new ATOM 0 HB2 ASP A 84 -5.107 5.196 -11.636 1.00 23.44 H new ATOM 0 HB3 ASP A 84 -5.586 4.545 -10.082 1.00 23.44 H new ATOM 1345 N LEU A 85 -4.920 5.986 -7.670 1.00 43.34 N ATOM 1346 CA LEU A 85 -5.288 5.953 -6.233 1.00 3.12 C ATOM 1347 C LEU A 85 -4.681 7.145 -5.469 1.00 13.41 C ATOM 1348 O LEU A 85 -5.420 7.907 -4.842 1.00 55.24 O ATOM 1349 CB LEU A 85 -4.919 4.605 -5.535 1.00 23.13 C ATOM 1350 CG LEU A 85 -3.655 3.847 -6.037 1.00 50.20 C ATOM 1351 CD1 LEU A 85 -2.936 3.142 -4.882 1.00 2.41 C ATOM 1352 CD2 LEU A 85 -4.017 2.833 -7.129 1.00 2.31 C ATOM 0 H LEU A 85 -4.103 5.423 -7.905 1.00 43.34 H new ATOM 0 HA LEU A 85 -6.374 6.036 -6.201 1.00 3.12 H new ATOM 0 HB2 LEU A 85 -4.789 4.804 -4.471 1.00 23.13 H new ATOM 0 HB3 LEU A 85 -5.772 3.934 -5.632 1.00 23.13 H new ATOM 0 HG LEU A 85 -2.979 4.588 -6.462 1.00 50.20 H new ATOM 0 HD11 LEU A 85 -2.058 2.622 -5.264 1.00 2.41 H new ATOM 0 HD12 LEU A 85 -2.627 3.880 -4.141 1.00 2.41 H new ATOM 0 HD13 LEU A 85 -3.611 2.423 -4.418 1.00 2.41 H new ATOM 0 HD21 LEU A 85 -3.115 2.318 -7.461 1.00 2.31 H new ATOM 0 HD22 LEU A 85 -4.724 2.106 -6.730 1.00 2.31 H new ATOM 0 HD23 LEU A 85 -4.469 3.353 -7.973 1.00 2.31 H new ATOM 1364 N PHE A 86 -3.341 7.305 -5.529 1.00 62.15 N ATOM 1365 CA PHE A 86 -2.639 8.413 -4.834 1.00 62.23 C ATOM 1366 C PHE A 86 -3.101 9.803 -5.332 1.00 61.32 C ATOM 1367 O PHE A 86 -3.235 10.730 -4.527 1.00 62.11 O ATOM 1368 CB PHE A 86 -1.101 8.271 -4.995 1.00 61.34 C ATOM 1369 CG PHE A 86 -0.411 7.471 -3.897 1.00 34.20 C ATOM 1370 CD1 PHE A 86 -0.900 6.233 -3.488 1.00 54.21 C ATOM 1371 CD2 PHE A 86 0.739 7.960 -3.281 1.00 34.24 C ATOM 1372 CE1 PHE A 86 -0.264 5.510 -2.497 1.00 22.41 C ATOM 1373 CE2 PHE A 86 1.374 7.237 -2.290 1.00 5.00 C ATOM 1374 CZ PHE A 86 0.873 6.012 -1.898 1.00 73.51 C ATOM 0 H PHE A 86 -2.722 6.684 -6.050 1.00 62.15 H new ATOM 0 HA PHE A 86 -2.898 8.341 -3.778 1.00 62.23 H new ATOM 0 HB2 PHE A 86 -0.893 7.797 -5.954 1.00 61.34 H new ATOM 0 HB3 PHE A 86 -0.661 9.267 -5.029 1.00 61.34 H new ATOM 0 HD1 PHE A 86 -1.789 5.832 -3.952 1.00 54.21 H new ATOM 0 HD2 PHE A 86 1.139 8.917 -3.582 1.00 34.24 H new ATOM 0 HE1 PHE A 86 -0.657 4.552 -2.191 1.00 22.41 H new ATOM 0 HE2 PHE A 86 2.264 7.631 -1.821 1.00 5.00 H new ATOM 0 HZ PHE A 86 1.370 5.447 -1.123 1.00 73.51 H new ATOM 1384 N GLY A 87 -3.340 9.937 -6.654 1.00 51.10 N ATOM 1385 CA GLY A 87 -3.782 11.211 -7.233 1.00 53.42 C ATOM 1386 C GLY A 87 -2.656 12.238 -7.391 1.00 51.21 C ATOM 1387 O GLY A 87 -2.911 13.445 -7.328 1.00 23.12 O ATOM 0 H GLY A 87 -3.234 9.181 -7.331 1.00 51.10 H new ATOM 0 HA2 GLY A 87 -4.228 11.021 -8.209 1.00 53.42 H new ATOM 0 HA3 GLY A 87 -4.563 11.635 -6.602 1.00 53.42 H new ATOM 1391 N VAL A 88 -1.410 11.759 -7.596 1.00 52.21 N ATOM 1392 CA VAL A 88 -0.235 12.636 -7.762 1.00 53.54 C ATOM 1393 C VAL A 88 0.927 11.865 -8.453 1.00 62.52 C ATOM 1394 O VAL A 88 1.269 10.760 -8.014 1.00 32.30 O ATOM 1395 CB VAL A 88 0.225 13.243 -6.384 1.00 60.43 C ATOM 1396 CG1 VAL A 88 0.642 12.160 -5.379 1.00 3.34 C ATOM 1397 CG2 VAL A 88 1.335 14.288 -6.561 1.00 13.41 C ATOM 0 H VAL A 88 -1.193 10.764 -7.650 1.00 52.21 H new ATOM 0 HA VAL A 88 -0.522 13.468 -8.405 1.00 53.54 H new ATOM 0 HB VAL A 88 -0.645 13.751 -5.968 1.00 60.43 H new ATOM 0 HG11 VAL A 88 0.951 12.630 -4.445 1.00 3.34 H new ATOM 0 HG12 VAL A 88 -0.201 11.495 -5.190 1.00 3.34 H new ATOM 0 HG13 VAL A 88 1.473 11.585 -5.788 1.00 3.34 H new ATOM 0 HG21 VAL A 88 1.623 14.682 -5.586 1.00 13.41 H new ATOM 0 HG22 VAL A 88 2.200 13.824 -7.035 1.00 13.41 H new ATOM 0 HG23 VAL A 88 0.972 15.102 -7.188 1.00 13.41 H new ATOM 1407 N PRO A 89 1.539 12.416 -9.552 1.00 5.42 N ATOM 1408 CA PRO A 89 2.640 11.734 -10.273 1.00 31.02 C ATOM 1409 C PRO A 89 3.955 11.655 -9.463 1.00 43.11 C ATOM 1410 O PRO A 89 4.619 10.613 -9.479 1.00 12.13 O ATOM 1411 CB PRO A 89 2.817 12.581 -11.547 1.00 1.43 C ATOM 1412 CG PRO A 89 2.309 13.933 -11.185 1.00 64.44 C ATOM 1413 CD PRO A 89 1.202 13.716 -10.191 1.00 30.45 C ATOM 0 HA PRO A 89 2.398 10.690 -10.472 1.00 31.02 H new ATOM 0 HB2 PRO A 89 3.863 12.621 -11.852 1.00 1.43 H new ATOM 0 HB3 PRO A 89 2.257 12.160 -12.382 1.00 1.43 H new ATOM 0 HG2 PRO A 89 3.103 14.544 -10.756 1.00 64.44 H new ATOM 0 HG3 PRO A 89 1.943 14.459 -12.066 1.00 64.44 H new ATOM 0 HD2 PRO A 89 1.161 14.522 -9.458 1.00 30.45 H new ATOM 0 HD3 PRO A 89 0.228 13.680 -10.680 1.00 30.45 H new ATOM 1421 N SER A 90 4.326 12.753 -8.767 1.00 13.40 N ATOM 1422 CA SER A 90 5.559 12.803 -7.959 1.00 20.34 C ATOM 1423 C SER A 90 5.248 13.101 -6.481 1.00 23.51 C ATOM 1424 O SER A 90 4.660 14.141 -6.164 1.00 63.10 O ATOM 1425 CB SER A 90 6.524 13.857 -8.526 1.00 12.03 C ATOM 1426 OG SER A 90 5.921 15.142 -8.581 1.00 54.11 O ATOM 0 H SER A 90 3.785 13.618 -8.751 1.00 13.40 H new ATOM 0 HA SER A 90 6.034 11.823 -8.009 1.00 20.34 H new ATOM 0 HB2 SER A 90 7.420 13.901 -7.907 1.00 12.03 H new ATOM 0 HB3 SER A 90 6.841 13.560 -9.526 1.00 12.03 H new ATOM 0 HG SER A 90 5.209 15.198 -7.910 1.00 54.11 H new ATOM 1432 N PHE A 91 5.652 12.179 -5.582 1.00 52.02 N ATOM 1433 CA PHE A 91 5.425 12.328 -4.130 1.00 73.04 C ATOM 1434 C PHE A 91 6.683 11.936 -3.333 1.00 35.22 C ATOM 1435 O PHE A 91 7.549 11.220 -3.845 1.00 20.41 O ATOM 1436 CB PHE A 91 4.196 11.500 -3.677 1.00 25.23 C ATOM 1437 CG PHE A 91 4.224 10.030 -4.069 1.00 65.22 C ATOM 1438 CD1 PHE A 91 3.732 9.613 -5.303 1.00 53.44 C ATOM 1439 CD2 PHE A 91 4.733 9.071 -3.202 1.00 44.41 C ATOM 1440 CE1 PHE A 91 3.750 8.279 -5.656 1.00 40.34 C ATOM 1441 CE2 PHE A 91 4.751 7.737 -3.555 1.00 2.51 C ATOM 1442 CZ PHE A 91 4.260 7.340 -4.782 1.00 35.34 C ATOM 0 H PHE A 91 6.139 11.320 -5.838 1.00 52.02 H new ATOM 0 HA PHE A 91 5.216 13.378 -3.926 1.00 73.04 H new ATOM 0 HB2 PHE A 91 4.112 11.569 -2.592 1.00 25.23 H new ATOM 0 HB3 PHE A 91 3.298 11.954 -4.096 1.00 25.23 H new ATOM 0 HD1 PHE A 91 3.332 10.342 -5.992 1.00 53.44 H new ATOM 0 HD2 PHE A 91 5.119 9.373 -2.240 1.00 44.41 H new ATOM 0 HE1 PHE A 91 3.365 7.970 -6.616 1.00 40.34 H new ATOM 0 HE2 PHE A 91 5.150 7.003 -2.870 1.00 2.51 H new ATOM 0 HZ PHE A 91 4.275 6.296 -5.058 1.00 35.34 H new ATOM 1452 N SER A 92 6.782 12.422 -2.079 1.00 23.03 N ATOM 1453 CA SER A 92 7.943 12.139 -1.208 1.00 64.23 C ATOM 1454 C SER A 92 7.978 10.668 -0.750 1.00 2.30 C ATOM 1455 O SER A 92 6.926 10.050 -0.551 1.00 74.33 O ATOM 1456 CB SER A 92 7.937 13.071 0.016 1.00 74.33 C ATOM 1457 OG SER A 92 8.084 14.426 -0.375 1.00 64.30 O ATOM 0 H SER A 92 6.072 13.013 -1.646 1.00 23.03 H new ATOM 0 HA SER A 92 8.841 12.323 -1.798 1.00 64.23 H new ATOM 0 HB2 SER A 92 7.005 12.947 0.567 1.00 74.33 H new ATOM 0 HB3 SER A 92 8.746 12.794 0.692 1.00 74.33 H new ATOM 0 HG SER A 92 8.075 14.999 0.420 1.00 64.30 H new ATOM 1463 N VAL A 93 9.203 10.120 -0.590 1.00 20.12 N ATOM 1464 CA VAL A 93 9.405 8.723 -0.156 1.00 74.32 C ATOM 1465 C VAL A 93 9.767 8.637 1.347 1.00 23.34 C ATOM 1466 O VAL A 93 9.323 7.710 2.032 1.00 55.05 O ATOM 1467 CB VAL A 93 10.487 8.005 -1.044 1.00 31.55 C ATOM 1468 CG1 VAL A 93 11.912 8.507 -0.765 1.00 62.43 C ATOM 1469 CG2 VAL A 93 10.405 6.481 -0.900 1.00 62.31 C ATOM 0 H VAL A 93 10.071 10.629 -0.757 1.00 20.12 H new ATOM 0 HA VAL A 93 8.459 8.200 -0.291 1.00 74.32 H new ATOM 0 HB VAL A 93 10.258 8.265 -2.078 1.00 31.55 H new ATOM 0 HG11 VAL A 93 12.617 7.977 -1.406 1.00 62.43 H new ATOM 0 HG12 VAL A 93 11.968 9.576 -0.971 1.00 62.43 H new ATOM 0 HG13 VAL A 93 12.164 8.325 0.280 1.00 62.43 H new ATOM 0 HG21 VAL A 93 11.166 6.015 -1.526 1.00 62.31 H new ATOM 0 HG22 VAL A 93 10.572 6.204 0.141 1.00 62.31 H new ATOM 0 HG23 VAL A 93 9.418 6.139 -1.212 1.00 62.31 H new ATOM 1479 N LYS A 94 10.572 9.606 1.853 1.00 21.33 N ATOM 1480 CA LYS A 94 10.985 9.632 3.275 1.00 32.10 C ATOM 1481 C LYS A 94 9.868 10.164 4.201 1.00 24.34 C ATOM 1482 O LYS A 94 9.771 9.734 5.355 1.00 64.13 O ATOM 1483 CB LYS A 94 12.292 10.446 3.464 1.00 41.50 C ATOM 1484 CG LYS A 94 12.194 11.954 3.155 1.00 74.43 C ATOM 1485 CD LYS A 94 13.369 12.466 2.304 1.00 73.34 C ATOM 1486 CE LYS A 94 14.684 12.555 3.088 1.00 14.04 C ATOM 1487 NZ LYS A 94 14.741 13.751 3.980 1.00 12.15 N1+ ATOM 0 H LYS A 94 10.945 10.376 1.298 1.00 21.33 H new ATOM 0 HA LYS A 94 11.178 8.599 3.565 1.00 32.10 H new ATOM 0 HB2 LYS A 94 12.626 10.326 4.495 1.00 41.50 H new ATOM 0 HB3 LYS A 94 13.063 10.013 2.826 1.00 41.50 H new ATOM 0 HG2 LYS A 94 11.259 12.153 2.632 1.00 74.43 H new ATOM 0 HG3 LYS A 94 12.160 12.511 4.092 1.00 74.43 H new ATOM 0 HD2 LYS A 94 13.506 11.804 1.449 1.00 73.34 H new ATOM 0 HD3 LYS A 94 13.121 13.451 1.908 1.00 73.34 H new ATOM 0 HE2 LYS A 94 14.807 11.653 3.688 1.00 14.04 H new ATOM 0 HE3 LYS A 94 15.519 12.589 2.388 1.00 14.04 H new ATOM 0 HZ1 LYS A 94 15.649 13.763 4.486 1.00 12.15 H new ATOM 0 HZ2 LYS A 94 14.651 14.615 3.408 1.00 12.15 H new ATOM 0 HZ3 LYS A 94 13.962 13.709 4.668 1.00 12.15 H new ATOM 1501 N GLU A 95 9.017 11.087 3.690 1.00 2.02 N ATOM 1502 CA GLU A 95 7.899 11.655 4.473 1.00 75.42 C ATOM 1503 C GLU A 95 6.735 10.646 4.522 1.00 60.41 C ATOM 1504 O GLU A 95 6.078 10.402 3.504 1.00 70.13 O ATOM 1505 CB GLU A 95 7.426 13.000 3.869 1.00 53.50 C ATOM 1506 CG GLU A 95 8.439 14.143 3.986 1.00 40.25 C ATOM 1507 CD GLU A 95 8.500 14.754 5.379 1.00 72.01 C ATOM 1508 OE1 GLU A 95 7.724 15.696 5.649 1.00 2.42 O1- ATOM 1509 OE2 GLU A 95 9.324 14.292 6.197 1.00 42.03 O ATOM 0 H GLU A 95 9.086 11.452 2.740 1.00 2.02 H new ATOM 0 HA GLU A 95 8.247 11.850 5.488 1.00 75.42 H new ATOM 0 HB2 GLU A 95 7.190 12.847 2.816 1.00 53.50 H new ATOM 0 HB3 GLU A 95 6.501 13.300 4.362 1.00 53.50 H new ATOM 0 HG2 GLU A 95 9.428 13.772 3.716 1.00 40.25 H new ATOM 0 HG3 GLU A 95 8.183 14.921 3.267 1.00 40.25 H new ATOM 1516 N HIS A 96 6.512 10.041 5.705 1.00 33.22 N ATOM 1517 CA HIS A 96 5.452 9.024 5.894 1.00 34.11 C ATOM 1518 C HIS A 96 4.078 9.663 6.178 1.00 73.44 C ATOM 1519 O HIS A 96 3.069 9.233 5.614 1.00 1.44 O ATOM 1520 CB HIS A 96 5.831 8.046 7.033 1.00 54.13 C ATOM 1521 CG HIS A 96 7.264 7.569 6.994 1.00 35.43 C ATOM 1522 ND1 HIS A 96 8.123 7.657 8.074 1.00 45.41 N ATOM 1523 CD2 HIS A 96 7.990 7.014 5.991 1.00 74.23 C ATOM 1524 CE1 HIS A 96 9.308 7.180 7.734 1.00 11.34 C ATOM 1525 NE2 HIS A 96 9.253 6.782 6.476 1.00 64.12 N ATOM 0 H HIS A 96 7.052 10.238 6.548 1.00 33.22 H new ATOM 0 HA HIS A 96 5.370 8.470 4.959 1.00 34.11 H new ATOM 0 HB2 HIS A 96 5.649 8.534 7.990 1.00 54.13 H new ATOM 0 HB3 HIS A 96 5.171 7.180 6.987 1.00 54.13 H new ATOM 0 HD2 HIS A 96 7.638 6.795 4.994 1.00 74.23 H new ATOM 0 HE1 HIS A 96 10.174 7.125 8.376 1.00 11.34 H new ATOM 0 HE2 HIS A 96 10.024 6.369 5.950 1.00 64.12 H new ATOM 1534 N ARG A 97 4.051 10.691 7.053 1.00 71.22 N ATOM 1535 CA ARG A 97 2.804 11.404 7.430 1.00 74.42 C ATOM 1536 C ARG A 97 2.109 12.089 6.221 1.00 2.33 C ATOM 1537 O ARG A 97 0.888 12.272 6.240 1.00 73.41 O ATOM 1538 CB ARG A 97 3.120 12.442 8.538 1.00 3.31 C ATOM 1539 CG ARG A 97 1.916 13.217 9.095 1.00 24.45 C ATOM 1540 CD ARG A 97 0.967 12.341 9.919 1.00 70.42 C ATOM 1541 NE ARG A 97 0.286 13.121 10.974 1.00 70.51 N ATOM 1542 CZ ARG A 97 -1.049 13.155 11.211 1.00 44.13 C ATOM 1543 NH1 ARG A 97 -1.921 12.432 10.493 1.00 12.11 N1+ ATOM 1544 NH2 ARG A 97 -1.517 13.929 12.194 1.00 15.04 N ATOM 0 H ARG A 97 4.885 11.051 7.517 1.00 71.22 H new ATOM 0 HA ARG A 97 2.101 10.660 7.805 1.00 74.42 H new ATOM 0 HB2 ARG A 97 3.609 11.925 9.364 1.00 3.31 H new ATOM 0 HB3 ARG A 97 3.838 13.160 8.142 1.00 3.31 H new ATOM 0 HG2 ARG A 97 2.275 14.037 9.716 1.00 24.45 H new ATOM 0 HG3 ARG A 97 1.364 13.662 8.268 1.00 24.45 H new ATOM 0 HD2 ARG A 97 0.224 11.890 9.261 1.00 70.42 H new ATOM 0 HD3 ARG A 97 1.527 11.524 10.374 1.00 70.42 H new ATOM 0 HE ARG A 97 0.877 13.688 11.582 1.00 70.51 H new ATOM 0 HH11 ARG A 97 -1.587 11.831 9.740 1.00 12.11 H new ATOM 0 HH12 ARG A 97 -2.918 12.483 10.700 1.00 12.11 H new ATOM 0 HH21 ARG A 97 -0.873 14.485 12.756 1.00 15.04 H new ATOM 0 HH22 ARG A 97 -2.519 13.964 12.383 1.00 15.04 H new ATOM 1558 N LYS A 98 2.887 12.475 5.186 1.00 23.02 N ATOM 1559 CA LYS A 98 2.338 13.154 3.990 1.00 21.33 C ATOM 1560 C LYS A 98 1.583 12.197 3.032 1.00 71.21 C ATOM 1561 O LYS A 98 0.610 12.619 2.400 1.00 5.03 O ATOM 1562 CB LYS A 98 3.467 13.886 3.218 1.00 34.13 C ATOM 1563 CG LYS A 98 2.983 15.055 2.336 1.00 65.43 C ATOM 1564 CD LYS A 98 3.428 16.423 2.873 1.00 53.40 C ATOM 1565 CE LYS A 98 2.916 17.583 2.013 1.00 25.42 C ATOM 1566 NZ LYS A 98 3.610 17.669 0.693 1.00 3.43 N1+ ATOM 0 H LYS A 98 3.896 12.328 5.154 1.00 23.02 H new ATOM 0 HA LYS A 98 1.608 13.875 4.358 1.00 21.33 H new ATOM 0 HB2 LYS A 98 4.194 14.266 3.936 1.00 34.13 H new ATOM 0 HB3 LYS A 98 3.987 13.164 2.589 1.00 34.13 H new ATOM 0 HG2 LYS A 98 3.366 14.924 1.324 1.00 65.43 H new ATOM 0 HG3 LYS A 98 1.895 15.030 2.271 1.00 65.43 H new ATOM 0 HD2 LYS A 98 3.067 16.544 3.894 1.00 53.40 H new ATOM 0 HD3 LYS A 98 4.517 16.458 2.914 1.00 53.40 H new ATOM 0 HE2 LYS A 98 1.845 17.464 1.849 1.00 25.42 H new ATOM 0 HE3 LYS A 98 3.054 18.520 2.553 1.00 25.42 H new ATOM 0 HZ1 LYS A 98 3.227 18.469 0.151 1.00 3.43 H new ATOM 0 HZ2 LYS A 98 4.629 17.810 0.845 1.00 3.43 H new ATOM 0 HZ3 LYS A 98 3.458 16.787 0.163 1.00 3.43 H new ATOM 1580 N ILE A 99 2.044 10.928 2.906 1.00 73.15 N ATOM 1581 CA ILE A 99 1.408 9.945 1.987 1.00 55.32 C ATOM 1582 C ILE A 99 0.463 8.944 2.695 1.00 13.13 C ATOM 1583 O ILE A 99 -0.392 8.351 2.026 1.00 4.43 O ATOM 1584 CB ILE A 99 2.461 9.149 1.141 1.00 1.44 C ATOM 1585 CG1 ILE A 99 3.535 8.472 2.035 1.00 11.11 C ATOM 1586 CG2 ILE A 99 3.112 10.065 0.098 1.00 53.41 C ATOM 1587 CD1 ILE A 99 4.289 7.340 1.358 1.00 42.51 C ATOM 0 H ILE A 99 2.844 10.562 3.422 1.00 73.15 H new ATOM 0 HA ILE A 99 0.801 10.559 1.322 1.00 55.32 H new ATOM 0 HB ILE A 99 1.931 8.351 0.622 1.00 1.44 H new ATOM 0 HG12 ILE A 99 4.251 9.228 2.358 1.00 11.11 H new ATOM 0 HG13 ILE A 99 3.053 8.086 2.933 1.00 11.11 H new ATOM 0 HG21 ILE A 99 3.840 9.497 -0.481 1.00 53.41 H new ATOM 0 HG22 ILE A 99 2.345 10.459 -0.569 1.00 53.41 H new ATOM 0 HG23 ILE A 99 3.614 10.891 0.602 1.00 53.41 H new ATOM 0 HD11 ILE A 99 5.019 6.923 2.052 1.00 42.51 H new ATOM 0 HD12 ILE A 99 3.586 6.562 1.060 1.00 42.51 H new ATOM 0 HD13 ILE A 99 4.803 7.722 0.476 1.00 42.51 H new ATOM 1599 N TYR A 100 0.602 8.749 4.027 1.00 73.21 N ATOM 1600 CA TYR A 100 -0.273 7.807 4.773 1.00 3.31 C ATOM 1601 C TYR A 100 -1.719 8.347 4.913 1.00 73.23 C ATOM 1602 O TYR A 100 -2.649 7.563 5.120 1.00 63.33 O ATOM 1603 CB TYR A 100 0.313 7.480 6.174 1.00 41.24 C ATOM 1604 CG TYR A 100 0.384 5.987 6.522 1.00 1.34 C ATOM 1605 CD1 TYR A 100 -0.715 5.141 6.349 1.00 62.34 C ATOM 1606 CD2 TYR A 100 1.554 5.428 7.041 1.00 11.51 C ATOM 1607 CE1 TYR A 100 -0.644 3.800 6.675 1.00 61.10 C ATOM 1608 CE2 TYR A 100 1.624 4.089 7.371 1.00 11.42 C ATOM 1609 CZ TYR A 100 0.525 3.279 7.186 1.00 44.22 C ATOM 1610 OH TYR A 100 0.593 1.944 7.520 1.00 20.32 O ATOM 0 H TYR A 100 1.299 9.222 4.602 1.00 73.21 H new ATOM 0 HA TYR A 100 -0.312 6.888 4.189 1.00 3.31 H new ATOM 0 HB2 TYR A 100 1.317 7.899 6.237 1.00 41.24 H new ATOM 0 HB3 TYR A 100 -0.290 7.984 6.929 1.00 41.24 H new ATOM 0 HD1 TYR A 100 -1.636 5.543 5.953 1.00 62.34 H new ATOM 0 HD2 TYR A 100 2.421 6.055 7.187 1.00 11.51 H new ATOM 0 HE1 TYR A 100 -1.503 3.162 6.530 1.00 61.10 H new ATOM 0 HE2 TYR A 100 2.538 3.678 7.773 1.00 11.42 H new ATOM 0 HH TYR A 100 1.487 1.738 7.865 1.00 20.32 H new ATOM 1620 N THR A 101 -1.900 9.685 4.794 1.00 24.11 N ATOM 1621 CA THR A 101 -3.231 10.325 4.904 1.00 40.45 C ATOM 1622 C THR A 101 -4.196 9.873 3.778 1.00 5.11 C ATOM 1623 O THR A 101 -5.399 9.741 4.021 1.00 62.21 O ATOM 1624 CB THR A 101 -3.090 11.868 4.907 1.00 73.40 C ATOM 1625 OG1 THR A 101 -1.942 12.270 5.643 1.00 33.41 O ATOM 1626 CG2 THR A 101 -4.279 12.596 5.511 1.00 72.00 C ATOM 0 H THR A 101 -1.139 10.342 4.622 1.00 24.11 H new ATOM 0 HA THR A 101 -3.666 10.003 5.850 1.00 40.45 H new ATOM 0 HB THR A 101 -3.014 12.138 3.854 1.00 73.40 H new ATOM 0 HG1 THR A 101 -1.871 13.247 5.631 1.00 33.41 H new ATOM 0 HG21 THR A 101 -4.103 13.671 5.476 1.00 72.00 H new ATOM 0 HG22 THR A 101 -5.179 12.357 4.944 1.00 72.00 H new ATOM 0 HG23 THR A 101 -4.409 12.283 6.547 1.00 72.00 H new ATOM 1634 N MET A 102 -3.663 9.629 2.558 1.00 73.45 N ATOM 1635 CA MET A 102 -4.485 9.183 1.406 1.00 42.13 C ATOM 1636 C MET A 102 -4.946 7.718 1.574 1.00 24.11 C ATOM 1637 O MET A 102 -6.098 7.393 1.267 1.00 21.33 O ATOM 1638 CB MET A 102 -3.702 9.341 0.071 1.00 44.23 C ATOM 1639 CG MET A 102 -4.518 9.900 -1.106 1.00 41.32 C ATOM 1640 SD MET A 102 -5.927 8.870 -1.615 1.00 52.22 S ATOM 1641 CE MET A 102 -5.153 7.280 -1.928 1.00 52.32 C ATOM 0 H MET A 102 -2.671 9.733 2.345 1.00 73.45 H new ATOM 0 HA MET A 102 -5.369 9.819 1.375 1.00 42.13 H new ATOM 0 HB2 MET A 102 -2.849 9.997 0.244 1.00 44.23 H new ATOM 0 HB3 MET A 102 -3.303 8.368 -0.215 1.00 44.23 H new ATOM 0 HG2 MET A 102 -4.888 10.889 -0.836 1.00 41.32 H new ATOM 0 HG3 MET A 102 -3.854 10.030 -1.961 1.00 41.32 H new ATOM 0 HE1 MET A 102 -5.719 6.743 -2.689 1.00 52.32 H new ATOM 0 HE2 MET A 102 -4.132 7.435 -2.277 1.00 52.32 H new ATOM 0 HE3 MET A 102 -5.137 6.696 -1.008 1.00 52.32 H new ATOM 1651 N ILE A 103 -4.036 6.843 2.058 1.00 3.53 N ATOM 1652 CA ILE A 103 -4.330 5.401 2.269 1.00 53.04 C ATOM 1653 C ILE A 103 -5.496 5.192 3.271 1.00 43.04 C ATOM 1654 O ILE A 103 -6.262 4.234 3.135 1.00 52.14 O ATOM 1655 CB ILE A 103 -3.050 4.621 2.755 1.00 61.53 C ATOM 1656 CG1 ILE A 103 -1.905 4.744 1.711 1.00 51.13 C ATOM 1657 CG2 ILE A 103 -3.350 3.135 3.043 1.00 64.54 C ATOM 1658 CD1 ILE A 103 -0.529 4.383 2.243 1.00 40.30 C ATOM 0 H ILE A 103 -3.085 7.110 2.312 1.00 3.53 H new ATOM 0 HA ILE A 103 -4.637 4.997 1.304 1.00 53.04 H new ATOM 0 HB ILE A 103 -2.731 5.080 3.691 1.00 61.53 H new ATOM 0 HG12 ILE A 103 -2.133 4.100 0.862 1.00 51.13 H new ATOM 0 HG13 ILE A 103 -1.879 5.767 1.337 1.00 51.13 H new ATOM 0 HG21 ILE A 103 -2.439 2.638 3.375 1.00 64.54 H new ATOM 0 HG22 ILE A 103 -4.108 3.061 3.823 1.00 64.54 H new ATOM 0 HG23 ILE A 103 -3.715 2.655 2.135 1.00 64.54 H new ATOM 0 HD11 ILE A 103 0.209 4.497 1.449 1.00 40.30 H new ATOM 0 HD12 ILE A 103 -0.275 5.043 3.072 1.00 40.30 H new ATOM 0 HD13 ILE A 103 -0.533 3.350 2.590 1.00 40.30 H new ATOM 1670 N TYR A 104 -5.618 6.094 4.264 1.00 75.35 N ATOM 1671 CA TYR A 104 -6.681 6.019 5.287 1.00 52.25 C ATOM 1672 C TYR A 104 -8.073 6.456 4.746 1.00 31.30 C ATOM 1673 O TYR A 104 -9.090 6.169 5.386 1.00 2.41 O ATOM 1674 CB TYR A 104 -6.270 6.882 6.503 1.00 11.10 C ATOM 1675 CG TYR A 104 -7.203 6.803 7.710 1.00 53.42 C ATOM 1676 CD1 TYR A 104 -7.178 5.710 8.576 1.00 25.35 C ATOM 1677 CD2 TYR A 104 -8.105 7.829 7.984 1.00 30.55 C ATOM 1678 CE1 TYR A 104 -8.021 5.645 9.669 1.00 52.13 C ATOM 1679 CE2 TYR A 104 -8.947 7.770 9.075 1.00 75.50 C ATOM 1680 CZ TYR A 104 -8.902 6.676 9.915 1.00 1.14 C ATOM 1681 OH TYR A 104 -9.745 6.614 11.003 1.00 54.04 O ATOM 0 H TYR A 104 -4.989 6.889 4.380 1.00 75.35 H new ATOM 0 HA TYR A 104 -6.787 4.976 5.585 1.00 52.25 H new ATOM 0 HB2 TYR A 104 -5.270 6.582 6.818 1.00 11.10 H new ATOM 0 HB3 TYR A 104 -6.205 7.922 6.183 1.00 11.10 H new ATOM 0 HD1 TYR A 104 -6.488 4.901 8.389 1.00 25.35 H new ATOM 0 HD2 TYR A 104 -8.146 8.687 7.329 1.00 30.55 H new ATOM 0 HE1 TYR A 104 -7.990 4.790 10.328 1.00 52.13 H new ATOM 0 HE2 TYR A 104 -9.638 8.576 9.271 1.00 75.50 H new ATOM 0 HH TYR A 104 -10.301 7.421 11.033 1.00 54.04 H new ATOM 1691 N ARG A 105 -8.121 7.151 3.582 1.00 21.01 N ATOM 1692 CA ARG A 105 -9.397 7.623 2.997 1.00 25.43 C ATOM 1693 C ARG A 105 -9.971 6.670 1.921 1.00 54.04 C ATOM 1694 O ARG A 105 -11.194 6.538 1.820 1.00 21.02 O ATOM 1695 CB ARG A 105 -9.223 9.027 2.378 1.00 3.02 C ATOM 1696 CG ARG A 105 -8.969 10.147 3.390 1.00 54.32 C ATOM 1697 CD ARG A 105 -9.246 11.528 2.792 1.00 4.51 C ATOM 1698 NE ARG A 105 -8.619 12.615 3.564 1.00 12.41 N ATOM 1699 CZ ARG A 105 -7.359 13.079 3.391 1.00 41.40 C ATOM 1700 NH1 ARG A 105 -6.520 12.525 2.503 1.00 3.51 N1+ ATOM 1701 NH2 ARG A 105 -6.932 14.104 4.131 1.00 14.32 N ATOM 0 H ARG A 105 -7.296 7.395 3.035 1.00 21.01 H new ATOM 0 HA ARG A 105 -10.108 7.653 3.823 1.00 25.43 H new ATOM 0 HB2 ARG A 105 -8.392 8.998 1.673 1.00 3.02 H new ATOM 0 HB3 ARG A 105 -10.118 9.270 1.805 1.00 3.02 H new ATOM 0 HG2 ARG A 105 -9.601 9.996 4.265 1.00 54.32 H new ATOM 0 HG3 ARG A 105 -7.935 10.100 3.732 1.00 54.32 H new ATOM 0 HD2 ARG A 105 -8.878 11.556 1.766 1.00 4.51 H new ATOM 0 HD3 ARG A 105 -10.323 11.692 2.749 1.00 4.51 H new ATOM 0 HE ARG A 105 -9.182 13.056 4.291 1.00 12.41 H new ATOM 0 HH11 ARG A 105 -6.826 11.733 1.937 1.00 3.51 H new ATOM 0 HH12 ARG A 105 -5.576 12.895 2.394 1.00 3.51 H new ATOM 0 HH21 ARG A 105 -7.553 14.530 4.819 1.00 14.32 H new ATOM 0 HH22 ARG A 105 -5.985 14.461 4.009 1.00 14.32 H new ATOM 1715 N ASN A 106 -9.100 6.048 1.090 1.00 32.32 N ATOM 1716 CA ASN A 106 -9.553 5.155 -0.010 1.00 55.12 C ATOM 1717 C ASN A 106 -9.500 3.646 0.349 1.00 51.03 C ATOM 1718 O ASN A 106 -9.180 2.819 -0.514 1.00 14.50 O ATOM 1719 CB ASN A 106 -8.711 5.430 -1.284 1.00 50.32 C ATOM 1720 CG ASN A 106 -9.037 6.767 -1.952 1.00 61.42 C ATOM 1721 OD1 ASN A 106 -9.190 7.789 -1.280 1.00 41.40 O ATOM 1722 ND2 ASN A 106 -9.139 6.773 -3.285 1.00 24.41 N ATOM 0 H ASN A 106 -8.087 6.145 1.157 1.00 32.32 H new ATOM 0 HA ASN A 106 -10.603 5.387 -0.188 1.00 55.12 H new ATOM 0 HB2 ASN A 106 -7.653 5.412 -1.022 1.00 50.32 H new ATOM 0 HB3 ASN A 106 -8.876 4.625 -2.000 1.00 50.32 H new ATOM 0 HD21 ASN A 106 -9.349 7.642 -3.776 1.00 24.41 H new ATOM 0 HD22 ASN A 106 -9.006 5.909 -3.811 1.00 24.41 H new ATOM 1729 N LEU A 107 -9.839 3.270 1.603 1.00 61.34 N ATOM 1730 CA LEU A 107 -9.835 1.845 2.014 1.00 23.30 C ATOM 1731 C LEU A 107 -11.008 1.505 2.962 1.00 71.42 C ATOM 1732 O LEU A 107 -11.697 2.406 3.453 1.00 12.23 O ATOM 1733 CB LEU A 107 -8.444 1.451 2.606 1.00 31.41 C ATOM 1734 CG LEU A 107 -8.127 1.742 4.110 1.00 3.25 C ATOM 1735 CD1 LEU A 107 -8.727 3.060 4.615 1.00 1.21 C ATOM 1736 CD2 LEU A 107 -8.545 0.573 5.007 1.00 21.33 C ATOM 0 H LEU A 107 -10.115 3.921 2.338 1.00 61.34 H new ATOM 0 HA LEU A 107 -9.996 1.237 1.124 1.00 23.30 H new ATOM 0 HB2 LEU A 107 -8.315 0.380 2.448 1.00 31.41 H new ATOM 0 HB3 LEU A 107 -7.683 1.955 2.010 1.00 31.41 H new ATOM 0 HG LEU A 107 -7.044 1.854 4.168 1.00 3.25 H new ATOM 0 HD11 LEU A 107 -8.469 3.199 5.665 1.00 1.21 H new ATOM 0 HD12 LEU A 107 -8.328 3.889 4.030 1.00 1.21 H new ATOM 0 HD13 LEU A 107 -9.811 3.030 4.509 1.00 1.21 H new ATOM 0 HD21 LEU A 107 -8.310 0.809 6.045 1.00 21.33 H new ATOM 0 HD22 LEU A 107 -9.617 0.403 4.907 1.00 21.33 H new ATOM 0 HD23 LEU A 107 -8.006 -0.326 4.708 1.00 21.33 H new ATOM 1748 N VAL A 108 -11.233 0.192 3.199 1.00 24.13 N ATOM 1749 CA VAL A 108 -12.320 -0.292 4.076 1.00 34.03 C ATOM 1750 C VAL A 108 -11.764 -1.136 5.247 1.00 21.11 C ATOM 1751 O VAL A 108 -10.821 -1.914 5.064 1.00 23.31 O ATOM 1752 CB VAL A 108 -13.391 -1.100 3.256 1.00 21.24 C ATOM 1753 CG1 VAL A 108 -12.831 -2.410 2.683 1.00 52.15 C ATOM 1754 CG2 VAL A 108 -14.654 -1.365 4.086 1.00 63.15 C ATOM 0 H VAL A 108 -10.671 -0.555 2.791 1.00 24.13 H new ATOM 0 HA VAL A 108 -12.813 0.581 4.503 1.00 34.03 H new ATOM 0 HB VAL A 108 -13.665 -0.471 2.409 1.00 21.24 H new ATOM 0 HG11 VAL A 108 -13.613 -2.927 2.127 1.00 52.15 H new ATOM 0 HG12 VAL A 108 -11.997 -2.189 2.017 1.00 52.15 H new ATOM 0 HG13 VAL A 108 -12.485 -3.045 3.498 1.00 52.15 H new ATOM 0 HG21 VAL A 108 -15.372 -1.925 3.487 1.00 63.15 H new ATOM 0 HG22 VAL A 108 -14.392 -1.942 4.973 1.00 63.15 H new ATOM 0 HG23 VAL A 108 -15.096 -0.416 4.388 1.00 63.15 H new ATOM 1764 N VAL A 109 -12.362 -0.963 6.446 1.00 70.33 N ATOM 1765 CA VAL A 109 -11.948 -1.691 7.666 1.00 60.10 C ATOM 1766 C VAL A 109 -13.154 -2.338 8.380 1.00 54.03 C ATOM 1767 O VAL A 109 -14.306 -1.967 8.132 1.00 23.54 O ATOM 1768 CB VAL A 109 -11.189 -0.763 8.677 1.00 13.20 C ATOM 1769 CG1 VAL A 109 -9.759 -0.494 8.214 1.00 61.12 C ATOM 1770 CG2 VAL A 109 -11.933 0.560 8.921 1.00 3.32 C ATOM 0 H VAL A 109 -13.139 -0.320 6.595 1.00 70.33 H new ATOM 0 HA VAL A 109 -11.268 -2.475 7.333 1.00 60.10 H new ATOM 0 HB VAL A 109 -11.151 -1.298 9.626 1.00 13.20 H new ATOM 0 HG11 VAL A 109 -9.258 0.152 8.935 1.00 61.12 H new ATOM 0 HG12 VAL A 109 -9.218 -1.437 8.135 1.00 61.12 H new ATOM 0 HG13 VAL A 109 -9.778 -0.004 7.240 1.00 61.12 H new ATOM 0 HG21 VAL A 109 -11.370 1.169 9.628 1.00 3.32 H new ATOM 0 HG22 VAL A 109 -12.036 1.099 7.979 1.00 3.32 H new ATOM 0 HG23 VAL A 109 -12.922 0.351 9.330 1.00 3.32 H new ATOM 1780 N VAL A 110 -12.866 -3.297 9.285 1.00 74.40 N ATOM 1781 CA VAL A 110 -13.905 -3.999 10.063 1.00 53.42 C ATOM 1782 C VAL A 110 -14.269 -3.183 11.324 1.00 51.01 C ATOM 1783 O VAL A 110 -15.451 -2.940 11.584 1.00 11.35 O ATOM 1784 CB VAL A 110 -13.449 -5.447 10.469 1.00 41.14 C ATOM 1785 CG1 VAL A 110 -14.563 -6.219 11.192 1.00 5.51 C ATOM 1786 CG2 VAL A 110 -12.968 -6.237 9.244 1.00 42.44 C ATOM 0 H VAL A 110 -11.916 -3.603 9.495 1.00 74.40 H new ATOM 0 HA VAL A 110 -14.786 -4.095 9.428 1.00 53.42 H new ATOM 0 HB VAL A 110 -12.617 -5.333 11.164 1.00 41.14 H new ATOM 0 HG11 VAL A 110 -14.205 -7.214 11.454 1.00 5.51 H new ATOM 0 HG12 VAL A 110 -14.846 -5.685 12.099 1.00 5.51 H new ATOM 0 HG13 VAL A 110 -15.430 -6.306 10.537 1.00 5.51 H new ATOM 0 HG21 VAL A 110 -12.658 -7.235 9.553 1.00 42.44 H new ATOM 0 HG22 VAL A 110 -13.780 -6.317 8.521 1.00 42.44 H new ATOM 0 HG23 VAL A 110 -12.124 -5.721 8.787 1.00 42.44 H new ATOM 1796 N ASN A 111 -13.240 -2.761 12.092 1.00 31.22 N ATOM 1797 CA ASN A 111 -13.432 -1.966 13.321 1.00 2.15 C ATOM 1798 C ASN A 111 -13.115 -0.484 13.051 1.00 60.43 C ATOM 1799 O ASN A 111 -11.967 -0.138 12.754 1.00 34.11 O ATOM 1800 CB ASN A 111 -12.535 -2.502 14.458 1.00 23.12 C ATOM 1801 CG ASN A 111 -12.868 -3.937 14.858 1.00 41.20 C ATOM 1802 OD1 ASN A 111 -12.220 -4.880 14.404 1.00 75.43 O ATOM 1803 ND2 ASN A 111 -13.880 -4.113 15.711 1.00 73.34 N ATOM 0 H ASN A 111 -12.263 -2.961 11.879 1.00 31.22 H new ATOM 0 HA ASN A 111 -14.474 -2.054 13.630 1.00 2.15 H new ATOM 0 HB2 ASN A 111 -11.492 -2.451 14.145 1.00 23.12 H new ATOM 0 HB3 ASN A 111 -12.638 -1.855 15.329 1.00 23.12 H new ATOM 0 HD21 ASN A 111 -14.139 -5.054 16.008 1.00 73.34 H new ATOM 0 HD22 ASN A 111 -14.394 -3.307 16.066 1.00 73.34 H new