USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -134:sc= 0.0226 USER MOD Single : A 31 THR OG1 : rot 154:sc= 0.226 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.7) USER MOD Single : A 37 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.97) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= -0.683 (180deg=-0.693) USER MOD Single : A 47 THR OG1 : rot 28:sc= 0.0338! USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 57 MET CE :methyl -125:sc= -0.249 (180deg=-2.36) USER MOD Single : A 60 MET CE :methyl -163:sc= -1.87 (180deg=-3.22!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.62 K(o=-2.6,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.7) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -121:sc= -2.48 (180deg=-7.2!) USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.102 USER MOD Single : A 84 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.0078) USER MOD Single : A 85 SER OG : rot 110:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.00095) USER MOD Single : A 101 TYR OH : rot -120:sc= 0.079 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.759 4.956 -1.856 1.00 50.24 N ATOM 36 CA ARG A 3 -1.835 5.622 -1.132 1.00 3.21 C ATOM 37 C ARG A 3 -1.910 5.125 0.309 1.00 65.54 C ATOM 38 O ARG A 3 -1.274 4.134 0.668 1.00 40.41 O ATOM 39 CB ARG A 3 -3.173 5.387 -1.834 1.00 73.11 C ATOM 40 CG ARG A 3 -4.211 6.459 -1.543 1.00 23.13 C ATOM 41 CD ARG A 3 -5.251 5.971 -0.547 1.00 10.24 C ATOM 42 NE ARG A 3 -6.542 5.722 -1.182 1.00 32.42 N ATOM 43 CZ ARG A 3 -7.648 5.424 -0.508 1.00 5.22 C ATOM 44 NH1 ARG A 3 -7.619 5.340 0.815 1.00 1.21 N ATOM 45 NH2 ARG A 3 -8.785 5.211 -1.157 1.00 62.41 N ATOM 0 HA ARG A 3 -1.622 6.691 -1.119 1.00 3.21 H new ATOM 0 HB2 ARG A 3 -3.005 5.338 -2.910 1.00 73.11 H new ATOM 0 HB3 ARG A 3 -3.568 4.418 -1.529 1.00 73.11 H new ATOM 0 HG2 ARG A 3 -3.717 7.348 -1.149 1.00 23.13 H new ATOM 0 HG3 ARG A 3 -4.703 6.752 -2.470 1.00 23.13 H new ATOM 0 HD2 ARG A 3 -4.897 5.055 -0.073 1.00 10.24 H new ATOM 0 HD3 ARG A 3 -5.372 6.712 0.243 1.00 10.24 H new ATOM 0 HE ARG A 3 -6.598 5.780 -2.199 1.00 32.42 H new ATOM 0 HH11 ARG A 3 -6.747 5.504 1.317 1.00 1.21 H new ATOM 0 HH12 ARG A 3 -8.469 5.111 1.330 1.00 1.21 H new ATOM 0 HH21 ARG A 3 -8.811 5.276 -2.175 1.00 62.41 H new ATOM 0 HH22 ARG A 3 -9.633 4.982 -0.638 1.00 62.41 H new ATOM 59 N GLY A 4 -2.691 5.820 1.130 1.00 62.31 N ATOM 60 CA GLY A 4 -2.834 5.434 2.522 1.00 63.15 C ATOM 61 C GLY A 4 -3.376 6.558 3.382 1.00 70.10 C ATOM 62 O GLY A 4 -3.345 7.723 2.984 1.00 32.14 O ATOM 0 H GLY A 4 -3.227 6.643 0.856 1.00 62.31 H new ATOM 0 HA2 GLY A 4 -3.500 4.574 2.591 1.00 63.15 H new ATOM 0 HA3 GLY A 4 -1.865 5.118 2.910 1.00 63.15 H new ATOM 66 N ILE A 5 -3.875 6.209 4.563 1.00 73.32 N ATOM 67 CA ILE A 5 -4.427 7.197 5.481 1.00 52.43 C ATOM 68 C ILE A 5 -3.329 8.080 6.063 1.00 2.14 C ATOM 69 O ILE A 5 -2.258 7.596 6.431 1.00 50.31 O ATOM 70 CB ILE A 5 -5.197 6.527 6.634 1.00 72.12 C ATOM 71 CG1 ILE A 5 -6.461 5.846 6.104 1.00 23.41 C ATOM 72 CG2 ILE A 5 -5.549 7.552 7.702 1.00 74.52 C ATOM 73 CD1 ILE A 5 -7.291 5.188 7.184 1.00 2.24 C ATOM 0 H ILE A 5 -3.908 5.249 4.906 1.00 73.32 H new ATOM 0 HA ILE A 5 -5.117 7.812 4.904 1.00 52.43 H new ATOM 0 HB ILE A 5 -4.559 5.767 7.084 1.00 72.12 H new ATOM 0 HG12 ILE A 5 -7.073 6.585 5.587 1.00 23.41 H new ATOM 0 HG13 ILE A 5 -6.177 5.095 5.367 1.00 23.41 H new ATOM 0 HG21 ILE A 5 -6.093 7.063 8.510 1.00 74.52 H new ATOM 0 HG22 ILE A 5 -4.635 7.995 8.096 1.00 74.52 H new ATOM 0 HG23 ILE A 5 -6.172 8.333 7.266 1.00 74.52 H new ATOM 0 HD11 ILE A 5 -8.171 4.726 6.736 1.00 2.24 H new ATOM 0 HD12 ILE A 5 -6.696 4.425 7.686 1.00 2.24 H new ATOM 0 HD13 ILE A 5 -7.605 5.938 7.909 1.00 2.24 H new ATOM 85 N VAL A 6 -3.602 9.378 6.147 1.00 52.32 N ATOM 86 CA VAL A 6 -2.639 10.329 6.688 1.00 44.31 C ATOM 87 C VAL A 6 -3.318 11.335 7.611 1.00 41.15 C ATOM 88 O VAL A 6 -3.965 12.276 7.151 1.00 74.44 O ATOM 89 CB VAL A 6 -1.910 11.090 5.565 1.00 42.44 C ATOM 90 CG1 VAL A 6 -0.946 12.111 6.149 1.00 4.24 C ATOM 91 CG2 VAL A 6 -1.180 10.118 4.650 1.00 41.52 C ATOM 0 H VAL A 6 -4.483 9.795 5.847 1.00 52.32 H new ATOM 0 HA VAL A 6 -1.911 9.752 7.258 1.00 44.31 H new ATOM 0 HB VAL A 6 -2.652 11.625 4.972 1.00 42.44 H new ATOM 0 HG11 VAL A 6 -0.441 12.638 5.340 1.00 4.24 H new ATOM 0 HG12 VAL A 6 -1.499 12.826 6.759 1.00 4.24 H new ATOM 0 HG13 VAL A 6 -0.207 11.602 6.767 1.00 4.24 H new ATOM 0 HG21 VAL A 6 -0.670 10.673 3.862 1.00 41.52 H new ATOM 0 HG22 VAL A 6 -0.448 9.554 5.228 1.00 41.52 H new ATOM 0 HG23 VAL A 6 -1.898 9.430 4.203 1.00 41.52 H new ATOM 101 N TRP A 7 -3.165 11.131 8.914 1.00 72.32 N ATOM 102 CA TRP A 7 -3.764 12.021 9.902 1.00 21.31 C ATOM 103 C TRP A 7 -2.716 12.950 10.503 1.00 4.34 C ATOM 104 O TRP A 7 -1.684 12.499 11.002 1.00 52.14 O ATOM 105 CB TRP A 7 -4.438 11.208 11.009 1.00 64.21 C ATOM 106 CG TRP A 7 -5.634 10.438 10.537 1.00 40.45 C ATOM 107 CD1 TRP A 7 -6.094 10.344 9.254 1.00 1.40 C ATOM 108 CD2 TRP A 7 -6.523 9.657 11.342 1.00 12.30 C ATOM 109 NE1 TRP A 7 -7.216 9.552 9.214 1.00 64.22 N ATOM 110 CE2 TRP A 7 -7.499 9.117 10.481 1.00 0.25 C ATOM 111 CE3 TRP A 7 -6.589 9.360 12.706 1.00 71.42 C ATOM 112 CZ2 TRP A 7 -8.527 8.299 10.943 1.00 62.15 C ATOM 113 CZ3 TRP A 7 -7.610 8.548 13.162 1.00 61.42 C ATOM 114 CH2 TRP A 7 -8.567 8.024 12.282 1.00 11.15 C ATOM 0 H TRP A 7 -2.632 10.358 9.311 1.00 72.32 H new ATOM 0 HA TRP A 7 -4.516 12.629 9.399 1.00 21.31 H new ATOM 0 HB2 TRP A 7 -3.712 10.514 11.433 1.00 64.21 H new ATOM 0 HB3 TRP A 7 -4.742 11.881 11.811 1.00 64.21 H new ATOM 0 HD1 TRP A 7 -5.642 10.822 8.397 1.00 1.40 H new ATOM 0 HE1 TRP A 7 -7.751 9.325 8.376 1.00 64.22 H new ATOM 0 HE3 TRP A 7 -5.855 9.758 13.391 1.00 71.42 H new ATOM 0 HZ2 TRP A 7 -9.267 7.896 10.267 1.00 62.15 H new ATOM 0 HZ3 TRP A 7 -7.672 8.313 14.214 1.00 61.42 H new ATOM 0 HH2 TRP A 7 -9.351 7.391 12.669 1.00 11.15 H new ATOM 125 N VAL A 8 -2.986 14.251 10.454 1.00 61.10 N ATOM 126 CA VAL A 8 -2.066 15.244 10.995 1.00 21.04 C ATOM 127 C VAL A 8 -2.793 16.229 11.904 1.00 21.44 C ATOM 128 O VAL A 8 -3.581 17.053 11.441 1.00 44.24 O ATOM 129 CB VAL A 8 -1.359 16.025 9.872 1.00 3.20 C ATOM 130 CG1 VAL A 8 -0.257 16.904 10.444 1.00 11.14 C ATOM 131 CG2 VAL A 8 -0.801 15.069 8.828 1.00 12.33 C ATOM 0 H VAL A 8 -3.835 14.642 10.045 1.00 61.10 H new ATOM 0 HA VAL A 8 -1.320 14.701 11.575 1.00 21.04 H new ATOM 0 HB VAL A 8 -2.091 16.671 9.387 1.00 3.20 H new ATOM 0 HG11 VAL A 8 0.231 17.448 9.635 1.00 11.14 H new ATOM 0 HG12 VAL A 8 -0.687 17.614 11.151 1.00 11.14 H new ATOM 0 HG13 VAL A 8 0.476 16.281 10.956 1.00 11.14 H new ATOM 0 HG21 VAL A 8 -0.305 15.638 8.042 1.00 12.33 H new ATOM 0 HG22 VAL A 8 -0.083 14.396 9.297 1.00 12.33 H new ATOM 0 HG23 VAL A 8 -1.615 14.487 8.396 1.00 12.33 H new ATOM 141 N VAL A 9 -2.523 16.137 13.203 1.00 43.33 N ATOM 142 CA VAL A 9 -3.150 17.021 14.178 1.00 3.21 C ATOM 143 C VAL A 9 -2.191 18.121 14.620 1.00 64.15 C ATOM 144 O VAL A 9 -1.215 17.862 15.325 1.00 34.00 O ATOM 145 CB VAL A 9 -3.625 16.241 15.418 1.00 10.43 C ATOM 146 CG1 VAL A 9 -2.453 15.543 16.092 1.00 53.14 C ATOM 147 CG2 VAL A 9 -4.334 17.171 16.392 1.00 24.42 C ATOM 0 H VAL A 9 -1.874 15.459 13.604 1.00 43.33 H new ATOM 0 HA VAL A 9 -4.013 17.471 13.688 1.00 3.21 H new ATOM 0 HB VAL A 9 -4.334 15.478 15.096 1.00 10.43 H new ATOM 0 HG11 VAL A 9 -2.808 14.997 16.966 1.00 53.14 H new ATOM 0 HG12 VAL A 9 -1.993 14.846 15.391 1.00 53.14 H new ATOM 0 HG13 VAL A 9 -1.717 16.285 16.402 1.00 53.14 H new ATOM 0 HG21 VAL A 9 -4.663 16.604 17.263 1.00 24.42 H new ATOM 0 HG22 VAL A 9 -3.649 17.957 16.709 1.00 24.42 H new ATOM 0 HG23 VAL A 9 -5.199 17.619 15.903 1.00 24.42 H new ATOM 157 N ASP A 10 -2.474 19.349 14.200 1.00 52.00 N ATOM 158 CA ASP A 10 -1.637 20.490 14.553 1.00 35.03 C ATOM 159 C ASP A 10 -2.398 21.799 14.369 1.00 13.45 C ATOM 160 O ASP A 10 -3.409 21.848 13.669 1.00 53.33 O ATOM 161 CB ASP A 10 -0.366 20.500 13.702 1.00 15.45 C ATOM 162 CG ASP A 10 -0.606 21.053 12.311 1.00 23.11 C ATOM 163 OD1 ASP A 10 -1.185 20.327 11.477 1.00 55.23 O ATOM 164 OD2 ASP A 10 -0.212 22.211 12.056 1.00 34.33 O ATOM 0 H ASP A 10 -3.277 19.580 13.615 1.00 52.00 H new ATOM 0 HA ASP A 10 -1.361 20.396 15.603 1.00 35.03 H new ATOM 0 HB2 ASP A 10 0.397 21.097 14.201 1.00 15.45 H new ATOM 0 HB3 ASP A 10 0.024 19.485 13.624 1.00 15.45 H new ATOM 169 N ASP A 11 -1.906 22.858 15.004 1.00 31.41 N ATOM 170 CA ASP A 11 -2.539 24.168 14.911 1.00 74.12 C ATOM 171 C ASP A 11 -1.696 25.120 14.068 1.00 13.14 C ATOM 172 O ASP A 11 -0.874 25.869 14.596 1.00 24.20 O ATOM 173 CB ASP A 11 -2.753 24.755 16.307 1.00 53.23 C ATOM 174 CG ASP A 11 -3.983 25.638 16.381 1.00 14.21 C ATOM 175 OD1 ASP A 11 -3.923 26.783 15.886 1.00 0.42 O ATOM 176 OD2 ASP A 11 -5.007 25.184 16.933 1.00 22.34 O ATOM 0 H ASP A 11 -1.071 22.834 15.589 1.00 31.41 H new ATOM 0 HA ASP A 11 -3.507 24.043 14.426 1.00 74.12 H new ATOM 0 HB2 ASP A 11 -2.848 23.944 17.029 1.00 53.23 H new ATOM 0 HB3 ASP A 11 -1.875 25.335 16.593 1.00 53.23 H new ATOM 181 N ASP A 12 -1.906 25.085 12.757 1.00 10.21 N ATOM 182 CA ASP A 12 -1.165 25.945 11.841 1.00 15.12 C ATOM 183 C ASP A 12 -1.610 25.715 10.400 1.00 30.42 C ATOM 184 O ASP A 12 -1.469 24.615 9.865 1.00 12.10 O ATOM 185 CB ASP A 12 0.337 25.691 11.971 1.00 21.44 C ATOM 186 CG ASP A 12 1.042 26.777 12.759 1.00 2.30 C ATOM 187 OD1 ASP A 12 1.064 27.934 12.287 1.00 32.42 O ATOM 188 OD2 ASP A 12 1.572 26.472 13.848 1.00 73.33 O ATOM 0 H ASP A 12 -2.583 24.471 12.304 1.00 10.21 H new ATOM 0 HA ASP A 12 -1.374 26.981 12.106 1.00 15.12 H new ATOM 0 HB2 ASP A 12 0.499 24.729 12.458 1.00 21.44 H new ATOM 0 HB3 ASP A 12 0.778 25.623 10.977 1.00 21.44 H new ATOM 193 N SER A 13 -2.148 26.759 9.778 1.00 32.31 N ATOM 194 CA SER A 13 -2.618 26.669 8.401 1.00 71.14 C ATOM 195 C SER A 13 -1.460 26.388 7.449 1.00 65.14 C ATOM 196 O SER A 13 -1.653 25.841 6.363 1.00 45.33 O ATOM 197 CB SER A 13 -3.324 27.964 7.995 1.00 40.12 C ATOM 198 OG SER A 13 -4.710 27.748 7.795 1.00 52.43 O ATOM 0 H SER A 13 -2.269 27.677 10.206 1.00 32.31 H new ATOM 0 HA SER A 13 -3.326 25.843 8.338 1.00 71.14 H new ATOM 0 HB2 SER A 13 -3.178 28.719 8.768 1.00 40.12 H new ATOM 0 HB3 SER A 13 -2.878 28.354 7.080 1.00 40.12 H new ATOM 0 HG SER A 13 -5.139 28.591 7.538 1.00 52.43 H new ATOM 204 N SER A 14 -0.255 26.766 7.865 1.00 51.15 N ATOM 205 CA SER A 14 0.935 26.559 7.048 1.00 4.02 C ATOM 206 C SER A 14 1.258 25.073 6.925 1.00 30.12 C ATOM 207 O SER A 14 1.287 24.522 5.824 1.00 10.23 O ATOM 208 CB SER A 14 2.129 27.303 7.651 1.00 55.32 C ATOM 209 OG SER A 14 2.168 28.648 7.206 1.00 42.21 O ATOM 0 H SER A 14 -0.077 27.217 8.763 1.00 51.15 H new ATOM 0 HA SER A 14 0.735 26.953 6.052 1.00 4.02 H new ATOM 0 HB2 SER A 14 2.066 27.278 8.739 1.00 55.32 H new ATOM 0 HB3 SER A 14 3.054 26.798 7.374 1.00 55.32 H new ATOM 0 HG SER A 14 2.938 29.103 7.606 1.00 42.21 H new ATOM 215 N ILE A 15 1.500 24.430 8.063 1.00 53.42 N ATOM 216 CA ILE A 15 1.819 23.008 8.083 1.00 1.44 C ATOM 217 C ILE A 15 0.686 22.182 7.485 1.00 63.24 C ATOM 218 O ILE A 15 0.919 21.124 6.898 1.00 15.35 O ATOM 219 CB ILE A 15 2.098 22.515 9.515 1.00 24.23 C ATOM 220 CG1 ILE A 15 3.065 23.464 10.226 1.00 44.01 C ATOM 221 CG2 ILE A 15 2.659 21.101 9.488 1.00 25.12 C ATOM 222 CD1 ILE A 15 4.332 23.733 9.444 1.00 22.30 C ATOM 0 H ILE A 15 1.481 24.871 8.982 1.00 53.42 H new ATOM 0 HA ILE A 15 2.718 22.877 7.480 1.00 1.44 H new ATOM 0 HB ILE A 15 1.159 22.502 10.068 1.00 24.23 H new ATOM 0 HG12 ILE A 15 2.558 24.410 10.418 1.00 44.01 H new ATOM 0 HG13 ILE A 15 3.329 23.042 11.196 1.00 44.01 H new ATOM 0 HG21 ILE A 15 2.851 20.766 10.507 1.00 25.12 H new ATOM 0 HG22 ILE A 15 1.939 20.433 9.016 1.00 25.12 H new ATOM 0 HG23 ILE A 15 3.590 21.090 8.921 1.00 25.12 H new ATOM 0 HD11 ILE A 15 4.970 24.413 10.008 1.00 22.30 H new ATOM 0 HD12 ILE A 15 4.861 22.795 9.275 1.00 22.30 H new ATOM 0 HD13 ILE A 15 4.079 24.185 8.485 1.00 22.30 H new ATOM 234 N ARG A 16 -0.540 22.672 7.635 1.00 61.03 N ATOM 235 CA ARG A 16 -1.709 21.979 7.108 1.00 35.02 C ATOM 236 C ARG A 16 -1.818 22.166 5.598 1.00 51.23 C ATOM 237 O ARG A 16 -2.132 21.227 4.867 1.00 60.40 O ATOM 238 CB ARG A 16 -2.981 22.490 7.789 1.00 63.31 C ATOM 239 CG ARG A 16 -3.742 21.412 8.544 1.00 54.45 C ATOM 240 CD ARG A 16 -4.245 21.922 9.885 1.00 21.34 C ATOM 241 NE ARG A 16 -4.893 23.225 9.768 1.00 12.11 N ATOM 242 CZ ARG A 16 -5.291 23.945 10.812 1.00 71.55 C ATOM 243 NH1 ARG A 16 -5.107 23.490 12.043 1.00 34.33 N ATOM 244 NH2 ARG A 16 -5.874 25.122 10.624 1.00 64.12 N ATOM 0 H ARG A 16 -0.749 23.546 8.117 1.00 61.03 H new ATOM 0 HA ARG A 16 -1.594 20.915 7.317 1.00 35.02 H new ATOM 0 HB2 ARG A 16 -2.716 23.289 8.482 1.00 63.31 H new ATOM 0 HB3 ARG A 16 -3.637 22.926 7.035 1.00 63.31 H new ATOM 0 HG2 ARG A 16 -4.585 21.072 7.943 1.00 54.45 H new ATOM 0 HG3 ARG A 16 -3.094 20.550 8.701 1.00 54.45 H new ATOM 0 HD2 ARG A 16 -4.949 21.204 10.305 1.00 21.34 H new ATOM 0 HD3 ARG A 16 -3.410 21.994 10.582 1.00 21.34 H new ATOM 0 HE ARG A 16 -5.049 23.604 8.834 1.00 12.11 H new ATOM 0 HH11 ARG A 16 -4.659 22.586 12.191 1.00 34.33 H new ATOM 0 HH12 ARG A 16 -5.413 24.044 12.843 1.00 34.33 H new ATOM 0 HH21 ARG A 16 -6.017 25.475 9.678 1.00 64.12 H new ATOM 0 HH22 ARG A 16 -6.179 25.674 11.426 1.00 64.12 H new ATOM 258 N TRP A 17 -1.557 23.384 5.138 1.00 53.52 N ATOM 259 CA TRP A 17 -1.626 23.695 3.714 1.00 34.14 C ATOM 260 C TRP A 17 -0.638 22.846 2.923 1.00 25.34 C ATOM 261 O TRP A 17 -1.028 22.077 2.045 1.00 33.42 O ATOM 262 CB TRP A 17 -1.343 25.180 3.481 1.00 74.21 C ATOM 263 CG TRP A 17 -1.018 25.505 2.055 1.00 54.55 C ATOM 264 CD1 TRP A 17 -1.886 25.525 1.000 1.00 12.42 C ATOM 265 CD2 TRP A 17 0.266 25.856 1.527 1.00 75.24 C ATOM 266 NE1 TRP A 17 -1.219 25.867 -0.151 1.00 60.05 N ATOM 267 CE2 TRP A 17 0.102 26.076 0.145 1.00 70.41 C ATOM 268 CE3 TRP A 17 1.537 26.007 2.087 1.00 52.22 C ATOM 269 CZ2 TRP A 17 1.163 26.437 -0.682 1.00 15.03 C ATOM 270 CZ3 TRP A 17 2.588 26.366 1.265 1.00 63.40 C ATOM 271 CH2 TRP A 17 2.396 26.578 -0.107 1.00 2.14 C ATOM 0 H TRP A 17 -1.296 24.173 5.730 1.00 53.52 H new ATOM 0 HA TRP A 17 -2.633 23.466 3.366 1.00 34.14 H new ATOM 0 HB2 TRP A 17 -2.212 25.761 3.790 1.00 74.21 H new ATOM 0 HB3 TRP A 17 -0.512 25.488 4.115 1.00 74.21 H new ATOM 0 HD1 TRP A 17 -2.941 25.304 1.062 1.00 12.42 H new ATOM 0 HE1 TRP A 17 -1.639 25.952 -1.076 1.00 60.05 H new ATOM 0 HE3 TRP A 17 1.695 25.846 3.143 1.00 52.22 H new ATOM 0 HZ2 TRP A 17 1.017 26.600 -1.740 1.00 15.03 H new ATOM 0 HZ3 TRP A 17 3.575 26.485 1.687 1.00 63.40 H new ATOM 0 HH2 TRP A 17 3.238 26.858 -0.722 1.00 2.14 H new ATOM 282 N VAL A 18 0.645 22.990 3.240 1.00 24.42 N ATOM 283 CA VAL A 18 1.690 22.234 2.559 1.00 3.35 C ATOM 284 C VAL A 18 1.372 20.743 2.549 1.00 45.31 C ATOM 285 O VAL A 18 1.641 20.047 1.569 1.00 20.11 O ATOM 286 CB VAL A 18 3.063 22.451 3.224 1.00 31.31 C ATOM 287 CG1 VAL A 18 3.659 23.783 2.797 1.00 42.14 C ATOM 288 CG2 VAL A 18 2.939 22.374 4.738 1.00 22.23 C ATOM 0 H VAL A 18 0.986 23.623 3.964 1.00 24.42 H new ATOM 0 HA VAL A 18 1.729 22.601 1.533 1.00 3.35 H new ATOM 0 HB VAL A 18 3.735 21.658 2.896 1.00 31.31 H new ATOM 0 HG11 VAL A 18 4.628 23.918 3.277 1.00 42.14 H new ATOM 0 HG12 VAL A 18 3.785 23.795 1.714 1.00 42.14 H new ATOM 0 HG13 VAL A 18 2.991 24.592 3.093 1.00 42.14 H new ATOM 0 HG21 VAL A 18 3.918 22.529 5.192 1.00 22.23 H new ATOM 0 HG22 VAL A 18 2.251 23.144 5.086 1.00 22.23 H new ATOM 0 HG23 VAL A 18 2.559 21.393 5.023 1.00 22.23 H new ATOM 298 N LEU A 19 0.798 20.259 3.645 1.00 65.24 N ATOM 299 CA LEU A 19 0.442 18.849 3.762 1.00 25.02 C ATOM 300 C LEU A 19 -0.700 18.495 2.815 1.00 23.14 C ATOM 301 O LEU A 19 -0.564 17.615 1.966 1.00 45.44 O ATOM 302 CB LEU A 19 0.046 18.521 5.203 1.00 40.31 C ATOM 303 CG LEU A 19 1.093 17.780 6.035 1.00 10.01 C ATOM 304 CD1 LEU A 19 0.607 17.598 7.465 1.00 45.42 C ATOM 305 CD2 LEU A 19 1.419 16.434 5.405 1.00 20.54 C ATOM 0 H LEU A 19 0.569 20.821 4.465 1.00 65.24 H new ATOM 0 HA LEU A 19 1.314 18.255 3.487 1.00 25.02 H new ATOM 0 HB2 LEU A 19 -0.200 19.453 5.712 1.00 40.31 H new ATOM 0 HB3 LEU A 19 -0.863 17.920 5.181 1.00 40.31 H new ATOM 0 HG LEU A 19 2.003 18.379 6.056 1.00 10.01 H new ATOM 0 HD11 LEU A 19 1.365 17.069 8.042 1.00 45.42 H new ATOM 0 HD12 LEU A 19 0.425 18.574 7.914 1.00 45.42 H new ATOM 0 HD13 LEU A 19 -0.317 17.020 7.464 1.00 45.42 H new ATOM 0 HD21 LEU A 19 2.166 15.920 6.010 1.00 20.54 H new ATOM 0 HD22 LEU A 19 0.515 15.828 5.353 1.00 20.54 H new ATOM 0 HD23 LEU A 19 1.811 16.588 4.399 1.00 20.54 H new ATOM 317 N GLU A 20 -1.824 19.188 2.968 1.00 72.45 N ATOM 318 CA GLU A 20 -2.989 18.946 2.124 1.00 12.35 C ATOM 319 C GLU A 20 -2.616 19.021 0.647 1.00 71.54 C ATOM 320 O GLU A 20 -2.987 18.152 -0.142 1.00 73.55 O ATOM 321 CB GLU A 20 -4.091 19.962 2.435 1.00 5.03 C ATOM 322 CG GLU A 20 -5.363 19.744 1.634 1.00 11.32 C ATOM 323 CD GLU A 20 -6.615 20.055 2.432 1.00 61.33 C ATOM 324 OE1 GLU A 20 -6.760 21.210 2.884 1.00 62.41 O ATOM 325 OE2 GLU A 20 -7.450 19.142 2.603 1.00 22.12 O ATOM 0 H GLU A 20 -1.953 19.920 3.667 1.00 72.45 H new ATOM 0 HA GLU A 20 -3.358 17.943 2.337 1.00 12.35 H new ATOM 0 HB2 GLU A 20 -4.328 19.914 3.498 1.00 5.03 H new ATOM 0 HB3 GLU A 20 -3.715 20.966 2.237 1.00 5.03 H new ATOM 0 HG2 GLU A 20 -5.339 20.372 0.743 1.00 11.32 H new ATOM 0 HG3 GLU A 20 -5.401 18.709 1.294 1.00 11.32 H new ATOM 332 N ARG A 21 -1.880 20.065 0.280 1.00 73.31 N ATOM 333 CA ARG A 21 -1.458 20.254 -1.103 1.00 13.24 C ATOM 334 C ARG A 21 -0.576 19.098 -1.565 1.00 2.41 C ATOM 335 O ARG A 21 -0.424 18.861 -2.763 1.00 34.32 O ATOM 336 CB ARG A 21 -0.704 21.577 -1.251 1.00 71.23 C ATOM 337 CG ARG A 21 -1.048 22.334 -2.523 1.00 51.43 C ATOM 338 CD ARG A 21 -0.330 23.673 -2.586 1.00 1.33 C ATOM 339 NE ARG A 21 -1.002 24.614 -3.478 1.00 60.13 N ATOM 340 CZ ARG A 21 -0.878 24.589 -4.801 1.00 31.34 C ATOM 341 NH1 ARG A 21 -0.112 23.675 -5.381 1.00 0.23 N ATOM 342 NH2 ARG A 21 -1.522 25.478 -5.546 1.00 3.45 N ATOM 0 H ARG A 21 -1.564 20.793 0.921 1.00 73.31 H new ATOM 0 HA ARG A 21 -2.350 20.280 -1.729 1.00 13.24 H new ATOM 0 HB2 ARG A 21 -0.924 22.209 -0.391 1.00 71.23 H new ATOM 0 HB3 ARG A 21 0.368 21.379 -1.235 1.00 71.23 H new ATOM 0 HG2 ARG A 21 -0.776 21.733 -3.390 1.00 51.43 H new ATOM 0 HG3 ARG A 21 -2.125 22.495 -2.572 1.00 51.43 H new ATOM 0 HD2 ARG A 21 -0.272 24.101 -1.585 1.00 1.33 H new ATOM 0 HD3 ARG A 21 0.694 23.519 -2.926 1.00 1.33 H new ATOM 0 HE ARG A 21 -1.599 25.329 -3.063 1.00 60.13 H new ATOM 0 HH11 ARG A 21 0.384 22.989 -4.812 1.00 0.23 H new ATOM 0 HH12 ARG A 21 -0.018 23.658 -6.397 1.00 0.23 H new ATOM 0 HH21 ARG A 21 -2.113 26.182 -5.103 1.00 3.45 H new ATOM 0 HH22 ARG A 21 -1.426 25.458 -6.561 1.00 3.45 H new ATOM 356 N ALA A 22 0.004 18.384 -0.606 1.00 65.34 N ATOM 357 CA ALA A 22 0.870 17.252 -0.915 1.00 3.41 C ATOM 358 C ALA A 22 0.065 15.964 -1.042 1.00 62.41 C ATOM 359 O ALA A 22 0.129 15.278 -2.063 1.00 63.51 O ATOM 360 CB ALA A 22 1.944 17.103 0.153 1.00 41.04 C ATOM 0 H ALA A 22 -0.110 18.569 0.391 1.00 65.34 H new ATOM 0 HA ALA A 22 1.351 17.445 -1.874 1.00 3.41 H new ATOM 0 HB1 ALA A 22 2.583 16.254 -0.090 1.00 41.04 H new ATOM 0 HB2 ALA A 22 2.546 18.011 0.193 1.00 41.04 H new ATOM 0 HB3 ALA A 22 1.473 16.937 1.122 1.00 41.04 H new ATOM 366 N LEU A 23 -0.692 15.639 0.000 1.00 3.23 N ATOM 367 CA LEU A 23 -1.510 14.431 0.006 1.00 44.25 C ATOM 368 C LEU A 23 -2.628 14.526 -1.028 1.00 3.24 C ATOM 369 O LEU A 23 -2.739 13.682 -1.916 1.00 21.43 O ATOM 370 CB LEU A 23 -2.103 14.199 1.396 1.00 11.52 C ATOM 371 CG LEU A 23 -1.153 14.413 2.575 1.00 14.24 C ATOM 372 CD1 LEU A 23 -1.889 14.226 3.894 1.00 45.45 C ATOM 373 CD2 LEU A 23 0.032 13.463 2.484 1.00 10.25 C ATOM 0 H LEU A 23 -0.756 16.196 0.852 1.00 3.23 H new ATOM 0 HA LEU A 23 -0.870 13.587 -0.254 1.00 44.25 H new ATOM 0 HB2 LEU A 23 -2.959 14.863 1.520 1.00 11.52 H new ATOM 0 HB3 LEU A 23 -2.482 13.178 1.442 1.00 11.52 H new ATOM 0 HG LEU A 23 -0.777 15.435 2.534 1.00 14.24 H new ATOM 0 HD11 LEU A 23 -1.197 14.382 4.722 1.00 45.45 H new ATOM 0 HD12 LEU A 23 -2.704 14.947 3.961 1.00 45.45 H new ATOM 0 HD13 LEU A 23 -2.293 13.215 3.945 1.00 45.45 H new ATOM 0 HD21 LEU A 23 0.698 13.629 3.331 1.00 10.25 H new ATOM 0 HD22 LEU A 23 -0.325 12.433 2.500 1.00 10.25 H new ATOM 0 HD23 LEU A 23 0.574 13.645 1.556 1.00 10.25 H new ATOM 385 N ALA A 24 -3.452 15.561 -0.906 1.00 14.20 N ATOM 386 CA ALA A 24 -4.559 15.769 -1.832 1.00 11.14 C ATOM 387 C ALA A 24 -4.068 15.807 -3.275 1.00 20.32 C ATOM 388 O ALA A 24 -4.818 15.511 -4.204 1.00 12.21 O ATOM 389 CB ALA A 24 -5.299 17.054 -1.490 1.00 5.20 C ATOM 0 H ALA A 24 -3.374 16.269 -0.175 1.00 14.20 H new ATOM 0 HA ALA A 24 -5.247 14.929 -1.732 1.00 11.14 H new ATOM 0 HB1 ALA A 24 -6.123 17.197 -2.189 1.00 5.20 H new ATOM 0 HB2 ALA A 24 -5.692 16.989 -0.475 1.00 5.20 H new ATOM 0 HB3 ALA A 24 -4.613 17.898 -1.560 1.00 5.20 H new ATOM 395 N GLY A 25 -2.803 16.173 -3.455 1.00 44.13 N ATOM 396 CA GLY A 25 -2.234 16.243 -4.789 1.00 3.45 C ATOM 397 C GLY A 25 -1.693 14.908 -5.260 1.00 34.35 C ATOM 398 O GLY A 25 -1.985 14.470 -6.372 1.00 44.43 O ATOM 0 H GLY A 25 -2.162 16.422 -2.702 1.00 44.13 H new ATOM 0 HA2 GLY A 25 -2.996 16.590 -5.488 1.00 3.45 H new ATOM 0 HA3 GLY A 25 -1.432 16.981 -4.800 1.00 3.45 H new ATOM 402 N ALA A 26 -0.903 14.259 -4.411 1.00 62.42 N ATOM 403 CA ALA A 26 -0.321 12.965 -4.747 1.00 2.03 C ATOM 404 C ALA A 26 -1.389 11.878 -4.793 1.00 31.21 C ATOM 405 O ALA A 26 -1.184 10.818 -5.382 1.00 75.52 O ATOM 406 CB ALA A 26 0.765 12.599 -3.745 1.00 74.13 C ATOM 0 H ALA A 26 -0.651 14.608 -3.486 1.00 62.42 H new ATOM 0 HA ALA A 26 0.125 13.041 -5.739 1.00 2.03 H new ATOM 0 HB1 ALA A 26 1.191 11.631 -4.008 1.00 74.13 H new ATOM 0 HB2 ALA A 26 1.548 13.357 -3.764 1.00 74.13 H new ATOM 0 HB3 ALA A 26 0.335 12.547 -2.745 1.00 74.13 H new ATOM 412 N GLY A 27 -2.530 12.148 -4.166 1.00 51.51 N ATOM 413 CA GLY A 27 -3.613 11.183 -4.147 1.00 73.23 C ATOM 414 C GLY A 27 -3.794 10.541 -2.786 1.00 72.11 C ATOM 415 O GLY A 27 -4.732 9.770 -2.574 1.00 44.52 O ATOM 0 H GLY A 27 -2.723 13.018 -3.671 1.00 51.51 H new ATOM 0 HA2 GLY A 27 -4.540 11.676 -4.439 1.00 73.23 H new ATOM 0 HA3 GLY A 27 -3.418 10.408 -4.888 1.00 73.23 H new ATOM 419 N LEU A 28 -2.895 10.856 -1.861 1.00 3.52 N ATOM 420 CA LEU A 28 -2.958 10.304 -0.512 1.00 70.33 C ATOM 421 C LEU A 28 -4.128 10.898 0.265 1.00 21.15 C ATOM 422 O LEU A 28 -4.494 12.057 0.069 1.00 51.22 O ATOM 423 CB LEU A 28 -1.648 10.570 0.232 1.00 52.55 C ATOM 424 CG LEU A 28 -0.364 10.306 -0.555 1.00 21.21 C ATOM 425 CD1 LEU A 28 0.826 10.959 0.131 1.00 22.41 C ATOM 426 CD2 LEU A 28 -0.135 8.810 -0.715 1.00 31.12 C ATOM 0 H LEU A 28 -2.113 11.491 -2.020 1.00 3.52 H new ATOM 0 HA LEU A 28 -3.109 9.228 -0.593 1.00 70.33 H new ATOM 0 HB2 LEU A 28 -1.643 11.610 0.558 1.00 52.55 H new ATOM 0 HB3 LEU A 28 -1.633 9.954 1.131 1.00 52.55 H new ATOM 0 HG LEU A 28 -0.471 10.745 -1.547 1.00 21.21 H new ATOM 0 HD11 LEU A 28 1.731 10.761 -0.443 1.00 22.41 H new ATOM 0 HD12 LEU A 28 0.665 12.035 0.193 1.00 22.41 H new ATOM 0 HD13 LEU A 28 0.937 10.550 1.135 1.00 22.41 H new ATOM 0 HD21 LEU A 28 0.783 8.641 -1.278 1.00 31.12 H new ATOM 0 HD22 LEU A 28 -0.049 8.348 0.268 1.00 31.12 H new ATOM 0 HD23 LEU A 28 -0.975 8.369 -1.251 1.00 31.12 H new ATOM 438 N THR A 29 -4.711 10.097 1.152 1.00 25.31 N ATOM 439 CA THR A 29 -5.838 10.543 1.961 1.00 40.04 C ATOM 440 C THR A 29 -5.417 11.637 2.935 1.00 41.54 C ATOM 441 O THR A 29 -4.621 11.400 3.844 1.00 32.31 O ATOM 442 CB THR A 29 -6.457 9.377 2.753 1.00 34.44 C ATOM 443 OG1 THR A 29 -6.932 8.369 1.853 1.00 44.42 O ATOM 444 CG2 THR A 29 -7.604 9.864 3.626 1.00 10.12 C ATOM 0 H THR A 29 -4.421 9.135 1.328 1.00 25.31 H new ATOM 0 HA THR A 29 -6.583 10.941 1.272 1.00 40.04 H new ATOM 0 HB THR A 29 -5.685 8.955 3.396 1.00 34.44 H new ATOM 0 HG1 THR A 29 -7.322 7.631 2.365 1.00 44.42 H new ATOM 0 HG21 THR A 29 -8.025 9.022 4.176 1.00 10.12 H new ATOM 0 HG22 THR A 29 -7.234 10.609 4.330 1.00 10.12 H new ATOM 0 HG23 THR A 29 -8.375 10.310 2.998 1.00 10.12 H new ATOM 452 N CYS A 30 -5.955 12.836 2.739 1.00 34.11 N ATOM 453 CA CYS A 30 -5.635 13.968 3.601 1.00 1.02 C ATOM 454 C CYS A 30 -6.638 14.082 4.745 1.00 61.25 C ATOM 455 O CYS A 30 -7.849 14.025 4.531 1.00 75.22 O ATOM 456 CB CYS A 30 -5.618 15.265 2.790 1.00 32.43 C ATOM 457 SG CYS A 30 -5.419 16.758 3.790 1.00 63.00 S ATOM 0 H CYS A 30 -6.615 13.049 1.991 1.00 34.11 H new ATOM 0 HA CYS A 30 -4.645 13.801 4.026 1.00 1.02 H new ATOM 0 HB2 CYS A 30 -4.807 15.216 2.064 1.00 32.43 H new ATOM 0 HB3 CYS A 30 -6.547 15.340 2.225 1.00 32.43 H new ATOM 0 HG CYS A 30 -6.276 17.656 3.404 1.00 63.00 H new ATOM 463 N THR A 31 -6.126 14.242 5.961 1.00 64.51 N ATOM 464 CA THR A 31 -6.976 14.360 7.139 1.00 44.33 C ATOM 465 C THR A 31 -6.393 15.352 8.139 1.00 31.14 C ATOM 466 O THR A 31 -5.193 15.340 8.415 1.00 20.33 O ATOM 467 CB THR A 31 -7.166 12.999 7.834 1.00 61.12 C ATOM 468 OG1 THR A 31 -7.546 12.007 6.873 1.00 3.21 O ATOM 469 CG2 THR A 31 -8.225 13.090 8.922 1.00 51.22 C ATOM 0 H THR A 31 -5.126 14.293 6.156 1.00 64.51 H new ATOM 0 HA THR A 31 -7.945 14.721 6.795 1.00 44.33 H new ATOM 0 HB THR A 31 -6.219 12.715 8.294 1.00 61.12 H new ATOM 0 HG1 THR A 31 -7.269 11.122 7.189 1.00 3.21 H new ATOM 0 HG21 THR A 31 -8.342 12.117 9.399 1.00 51.22 H new ATOM 0 HG22 THR A 31 -7.919 13.825 9.667 1.00 51.22 H new ATOM 0 HG23 THR A 31 -9.174 13.394 8.481 1.00 51.22 H new ATOM 477 N THR A 32 -7.251 16.211 8.682 1.00 64.10 N ATOM 478 CA THR A 32 -6.821 17.210 9.652 1.00 21.11 C ATOM 479 C THR A 32 -7.955 17.577 10.603 1.00 63.43 C ATOM 480 O THR A 32 -9.131 17.446 10.262 1.00 4.10 O ATOM 481 CB THR A 32 -6.316 18.488 8.956 1.00 10.13 C ATOM 482 OG1 THR A 32 -7.308 18.975 8.046 1.00 34.10 O ATOM 483 CG2 THR A 32 -5.020 18.220 8.206 1.00 73.22 C ATOM 0 H THR A 32 -8.248 16.234 8.466 1.00 64.10 H new ATOM 0 HA THR A 32 -6.003 16.767 10.220 1.00 21.11 H new ATOM 0 HB THR A 32 -6.125 19.240 9.721 1.00 10.13 H new ATOM 0 HG1 THR A 32 -6.980 19.788 7.609 1.00 34.10 H new ATOM 0 HG21 THR A 32 -4.683 19.137 7.723 1.00 73.22 H new ATOM 0 HG22 THR A 32 -4.258 17.878 8.907 1.00 73.22 H new ATOM 0 HG23 THR A 32 -5.189 17.453 7.450 1.00 73.22 H new ATOM 491 N PHE A 33 -7.595 18.037 11.796 1.00 24.43 N ATOM 492 CA PHE A 33 -8.583 18.422 12.797 1.00 3.30 C ATOM 493 C PHE A 33 -8.136 19.672 13.549 1.00 3.42 C ATOM 494 O PHE A 33 -8.564 20.783 13.237 1.00 34.24 O ATOM 495 CB PHE A 33 -8.815 17.276 13.783 1.00 32.23 C ATOM 496 CG PHE A 33 -9.217 15.988 13.122 1.00 10.41 C ATOM 497 CD1 PHE A 33 -10.511 15.805 12.663 1.00 35.42 C ATOM 498 CD2 PHE A 33 -8.300 14.962 12.959 1.00 54.41 C ATOM 499 CE1 PHE A 33 -10.884 14.621 12.055 1.00 21.31 C ATOM 500 CE2 PHE A 33 -8.667 13.776 12.351 1.00 0.31 C ATOM 501 CZ PHE A 33 -9.960 13.606 11.898 1.00 73.22 C ATOM 0 H PHE A 33 -6.626 18.152 12.094 1.00 24.43 H new ATOM 0 HA PHE A 33 -9.518 18.643 12.282 1.00 3.30 H new ATOM 0 HB2 PHE A 33 -7.903 17.111 14.357 1.00 32.23 H new ATOM 0 HB3 PHE A 33 -9.590 17.568 14.492 1.00 32.23 H new ATOM 0 HD1 PHE A 33 -11.237 16.596 12.781 1.00 35.42 H new ATOM 0 HD2 PHE A 33 -7.287 15.090 13.311 1.00 54.41 H new ATOM 0 HE1 PHE A 33 -11.897 14.490 11.703 1.00 21.31 H new ATOM 0 HE2 PHE A 33 -7.943 12.984 12.231 1.00 0.31 H new ATOM 0 HZ PHE A 33 -10.249 12.681 11.422 1.00 73.22 H new ATOM 511 N GLU A 34 -7.272 19.482 14.541 1.00 23.44 N ATOM 512 CA GLU A 34 -6.768 20.593 15.339 1.00 42.50 C ATOM 513 C GLU A 34 -5.969 20.086 16.536 1.00 13.24 C ATOM 514 O GLU A 34 -4.771 20.340 16.649 1.00 62.42 O ATOM 515 CB GLU A 34 -7.925 21.472 15.819 1.00 73.41 C ATOM 516 CG GLU A 34 -7.932 22.860 15.202 1.00 53.11 C ATOM 517 CD GLU A 34 -8.268 23.944 16.208 1.00 73.12 C ATOM 518 OE1 GLU A 34 -7.584 24.018 17.250 1.00 45.23 O ATOM 519 OE2 GLU A 34 -9.215 24.717 15.954 1.00 74.01 O ATOM 0 H GLU A 34 -6.906 18.569 14.811 1.00 23.44 H new ATOM 0 HA GLU A 34 -6.107 21.188 14.709 1.00 42.50 H new ATOM 0 HB2 GLU A 34 -8.867 20.976 15.587 1.00 73.41 H new ATOM 0 HB3 GLU A 34 -7.873 21.566 16.904 1.00 73.41 H new ATOM 0 HG2 GLU A 34 -6.954 23.065 14.766 1.00 53.11 H new ATOM 0 HG3 GLU A 34 -8.656 22.888 14.388 1.00 53.11 H new ATOM 526 N ASN A 35 -6.644 19.369 17.429 1.00 60.41 N ATOM 527 CA ASN A 35 -5.999 18.826 18.619 1.00 45.31 C ATOM 528 C ASN A 35 -6.259 17.328 18.744 1.00 3.20 C ATOM 529 O ASN A 35 -7.191 16.797 18.143 1.00 54.14 O ATOM 530 CB ASN A 35 -6.500 19.549 19.871 1.00 74.22 C ATOM 531 CG ASN A 35 -7.964 19.933 19.769 1.00 41.22 C ATOM 532 OD1 ASN A 35 -8.850 19.096 19.940 1.00 54.33 O ATOM 533 ND2 ASN A 35 -8.223 21.205 19.489 1.00 51.14 N ATOM 0 H ASN A 35 -7.637 19.151 17.351 1.00 60.41 H new ATOM 0 HA ASN A 35 -4.925 18.983 18.523 1.00 45.31 H new ATOM 0 HB2 ASN A 35 -6.355 18.908 20.740 1.00 74.22 H new ATOM 0 HB3 ASN A 35 -5.902 20.446 20.033 1.00 74.22 H new ATOM 0 HD21 ASN A 35 -9.189 21.523 19.408 1.00 51.14 H new ATOM 0 HD22 ASN A 35 -7.456 21.864 19.355 1.00 51.14 H new ATOM 540 N GLY A 36 -5.427 16.652 19.531 1.00 42.04 N ATOM 541 CA GLY A 36 -5.584 15.222 19.721 1.00 23.11 C ATOM 542 C GLY A 36 -7.005 14.838 20.082 1.00 22.51 C ATOM 543 O GLY A 36 -7.456 13.738 19.766 1.00 34.35 O ATOM 0 H GLY A 36 -4.648 17.069 20.040 1.00 42.04 H new ATOM 0 HA2 GLY A 36 -5.291 14.703 18.808 1.00 23.11 H new ATOM 0 HA3 GLY A 36 -4.909 14.887 20.509 1.00 23.11 H new ATOM 547 N ASN A 37 -7.711 15.746 20.747 1.00 30.14 N ATOM 548 CA ASN A 37 -9.089 15.495 21.154 1.00 1.01 C ATOM 549 C ASN A 37 -9.921 14.996 19.977 1.00 72.31 C ATOM 550 O ASN A 37 -10.571 13.955 20.062 1.00 74.42 O ATOM 551 CB ASN A 37 -9.712 16.768 21.730 1.00 33.13 C ATOM 552 CG ASN A 37 -10.457 16.511 23.026 1.00 14.40 C ATOM 553 OD1 ASN A 37 -10.895 15.392 23.292 1.00 33.01 O ATOM 554 ND2 ASN A 37 -10.605 17.551 23.839 1.00 21.23 N ATOM 0 H ASN A 37 -7.352 16.662 21.016 1.00 30.14 H new ATOM 0 HA ASN A 37 -9.080 14.723 21.923 1.00 1.01 H new ATOM 0 HB2 ASN A 37 -8.929 17.506 21.904 1.00 33.13 H new ATOM 0 HB3 ASN A 37 -10.397 17.197 20.999 1.00 33.13 H new ATOM 0 HD21 ASN A 37 -11.098 17.440 24.725 1.00 21.23 H new ATOM 0 HD22 ASN A 37 -10.225 18.461 23.578 1.00 21.23 H new ATOM 561 N GLU A 38 -9.894 15.746 18.880 1.00 55.02 N ATOM 562 CA GLU A 38 -10.647 15.379 17.686 1.00 42.13 C ATOM 563 C GLU A 38 -10.188 14.027 17.148 1.00 63.14 C ATOM 564 O GLU A 38 -10.994 13.118 16.951 1.00 34.11 O ATOM 565 CB GLU A 38 -10.487 16.451 16.606 1.00 41.13 C ATOM 566 CG GLU A 38 -11.369 17.669 16.822 1.00 3.42 C ATOM 567 CD GLU A 38 -12.575 17.687 15.904 1.00 72.02 C ATOM 568 OE1 GLU A 38 -12.384 17.631 14.671 1.00 12.52 O ATOM 569 OE2 GLU A 38 -13.711 17.756 16.419 1.00 60.12 O ATOM 0 H GLU A 38 -9.360 16.610 18.793 1.00 55.02 H new ATOM 0 HA GLU A 38 -11.699 15.303 17.960 1.00 42.13 H new ATOM 0 HB2 GLU A 38 -9.445 16.769 16.573 1.00 41.13 H new ATOM 0 HB3 GLU A 38 -10.718 16.013 15.635 1.00 41.13 H new ATOM 0 HG2 GLU A 38 -11.706 17.690 17.858 1.00 3.42 H new ATOM 0 HG3 GLU A 38 -10.781 18.572 16.660 1.00 3.42 H new ATOM 576 N VAL A 39 -8.886 13.902 16.910 1.00 3.15 N ATOM 577 CA VAL A 39 -8.318 12.662 16.396 1.00 61.24 C ATOM 578 C VAL A 39 -8.774 11.464 17.221 1.00 0.24 C ATOM 579 O VAL A 39 -8.888 10.350 16.709 1.00 62.21 O ATOM 580 CB VAL A 39 -6.778 12.710 16.388 1.00 34.10 C ATOM 581 CG1 VAL A 39 -6.201 11.306 16.293 1.00 4.14 C ATOM 582 CG2 VAL A 39 -6.279 13.579 15.244 1.00 4.32 C ATOM 0 H VAL A 39 -8.205 14.645 17.065 1.00 3.15 H new ATOM 0 HA VAL A 39 -8.676 12.551 15.372 1.00 61.24 H new ATOM 0 HB VAL A 39 -6.440 13.153 17.325 1.00 34.10 H new ATOM 0 HG11 VAL A 39 -5.112 11.360 16.289 1.00 4.14 H new ATOM 0 HG12 VAL A 39 -6.532 10.718 17.149 1.00 4.14 H new ATOM 0 HG13 VAL A 39 -6.545 10.833 15.373 1.00 4.14 H new ATOM 0 HG21 VAL A 39 -5.189 13.602 15.253 1.00 4.32 H new ATOM 0 HG22 VAL A 39 -6.625 13.167 14.296 1.00 4.32 H new ATOM 0 HG23 VAL A 39 -6.664 14.592 15.362 1.00 4.32 H new ATOM 592 N LEU A 40 -9.034 11.701 18.502 1.00 34.33 N ATOM 593 CA LEU A 40 -9.479 10.641 19.401 1.00 54.11 C ATOM 594 C LEU A 40 -10.706 9.930 18.839 1.00 72.11 C ATOM 595 O LEU A 40 -10.689 8.718 18.623 1.00 12.54 O ATOM 596 CB LEU A 40 -9.798 11.217 20.782 1.00 64.30 C ATOM 597 CG LEU A 40 -9.477 10.315 21.975 1.00 52.31 C ATOM 598 CD1 LEU A 40 -10.088 8.936 21.781 1.00 11.20 C ATOM 599 CD2 LEU A 40 -7.972 10.211 22.175 1.00 34.24 C ATOM 0 H LEU A 40 -8.945 12.617 18.942 1.00 34.33 H new ATOM 0 HA LEU A 40 -8.672 9.915 19.494 1.00 54.11 H new ATOM 0 HB2 LEU A 40 -9.249 12.151 20.900 1.00 64.30 H new ATOM 0 HB3 LEU A 40 -10.859 11.465 20.814 1.00 64.30 H new ATOM 0 HG LEU A 40 -9.912 10.760 22.870 1.00 52.31 H new ATOM 0 HD11 LEU A 40 -9.849 8.308 22.639 1.00 11.20 H new ATOM 0 HD12 LEU A 40 -11.170 9.027 21.688 1.00 11.20 H new ATOM 0 HD13 LEU A 40 -9.683 8.483 20.876 1.00 11.20 H new ATOM 0 HD21 LEU A 40 -7.762 9.566 23.028 1.00 34.24 H new ATOM 0 HD22 LEU A 40 -7.514 9.790 21.280 1.00 34.24 H new ATOM 0 HD23 LEU A 40 -7.560 11.203 22.361 1.00 34.24 H new ATOM 611 N ALA A 41 -11.769 10.692 18.602 1.00 42.22 N ATOM 612 CA ALA A 41 -13.003 10.136 18.061 1.00 64.13 C ATOM 613 C ALA A 41 -12.728 9.297 16.817 1.00 44.51 C ATOM 614 O ALA A 41 -13.434 8.328 16.542 1.00 52.34 O ATOM 615 CB ALA A 41 -13.988 11.250 17.741 1.00 33.02 C ATOM 0 H ALA A 41 -11.800 11.697 18.776 1.00 42.22 H new ATOM 0 HA ALA A 41 -13.441 9.485 18.817 1.00 64.13 H new ATOM 0 HB1 ALA A 41 -14.905 10.820 17.338 1.00 33.02 H new ATOM 0 HB2 ALA A 41 -14.217 11.806 18.650 1.00 33.02 H new ATOM 0 HB3 ALA A 41 -13.549 11.924 17.005 1.00 33.02 H new ATOM 621 N ALA A 42 -11.697 9.678 16.069 1.00 72.44 N ATOM 622 CA ALA A 42 -11.329 8.960 14.855 1.00 64.22 C ATOM 623 C ALA A 42 -10.460 7.748 15.176 1.00 42.31 C ATOM 624 O ALA A 42 -10.545 6.716 14.509 1.00 43.32 O ATOM 625 CB ALA A 42 -10.606 9.889 13.891 1.00 51.12 C ATOM 0 H ALA A 42 -11.103 10.479 16.282 1.00 72.44 H new ATOM 0 HA ALA A 42 -12.244 8.604 14.382 1.00 64.22 H new ATOM 0 HB1 ALA A 42 -10.337 9.340 12.989 1.00 51.12 H new ATOM 0 HB2 ALA A 42 -11.260 10.721 13.628 1.00 51.12 H new ATOM 0 HB3 ALA A 42 -9.703 10.273 14.365 1.00 51.12 H new ATOM 631 N LEU A 43 -9.624 7.880 16.200 1.00 14.22 N ATOM 632 CA LEU A 43 -8.739 6.796 16.610 1.00 64.24 C ATOM 633 C LEU A 43 -9.540 5.595 17.103 1.00 42.13 C ATOM 634 O LEU A 43 -9.313 4.466 16.670 1.00 35.50 O ATOM 635 CB LEU A 43 -7.788 7.275 17.708 1.00 22.30 C ATOM 636 CG LEU A 43 -6.537 8.017 17.236 1.00 23.33 C ATOM 637 CD1 LEU A 43 -5.776 8.588 18.423 1.00 64.34 C ATOM 638 CD2 LEU A 43 -5.643 7.092 16.422 1.00 34.02 C ATOM 0 H LEU A 43 -9.541 8.727 16.762 1.00 14.22 H new ATOM 0 HA LEU A 43 -8.156 6.488 15.742 1.00 64.24 H new ATOM 0 HB2 LEU A 43 -8.342 7.930 18.381 1.00 22.30 H new ATOM 0 HB3 LEU A 43 -7.474 6.410 18.292 1.00 22.30 H new ATOM 0 HG LEU A 43 -6.847 8.844 16.597 1.00 23.33 H new ATOM 0 HD11 LEU A 43 -4.889 9.113 18.068 1.00 64.34 H new ATOM 0 HD12 LEU A 43 -6.416 9.284 18.965 1.00 64.34 H new ATOM 0 HD13 LEU A 43 -5.477 7.777 19.087 1.00 64.34 H new ATOM 0 HD21 LEU A 43 -4.758 7.637 16.094 1.00 34.02 H new ATOM 0 HD22 LEU A 43 -5.340 6.244 17.037 1.00 34.02 H new ATOM 0 HD23 LEU A 43 -6.190 6.731 15.551 1.00 34.02 H new ATOM 650 N ALA A 44 -10.478 5.848 18.009 1.00 53.31 N ATOM 651 CA ALA A 44 -11.316 4.789 18.557 1.00 11.14 C ATOM 652 C ALA A 44 -12.088 4.073 17.454 1.00 15.35 C ATOM 653 O ALA A 44 -12.526 2.936 17.628 1.00 65.35 O ATOM 654 CB ALA A 44 -12.275 5.358 19.593 1.00 74.44 C ATOM 0 H ALA A 44 -10.677 6.777 18.379 1.00 53.31 H new ATOM 0 HA ALA A 44 -10.667 4.059 19.041 1.00 11.14 H new ATOM 0 HB1 ALA A 44 -12.895 4.556 19.994 1.00 74.44 H new ATOM 0 HB2 ALA A 44 -11.706 5.816 20.402 1.00 74.44 H new ATOM 0 HB3 ALA A 44 -12.911 6.109 19.126 1.00 74.44 H new ATOM 660 N SER A 45 -12.254 4.747 16.321 1.00 44.42 N ATOM 661 CA SER A 45 -12.978 4.177 15.191 1.00 64.01 C ATOM 662 C SER A 45 -12.029 3.429 14.259 1.00 4.22 C ATOM 663 O SER A 45 -12.312 2.309 13.833 1.00 4.24 O ATOM 664 CB SER A 45 -13.708 5.277 14.418 1.00 44.10 C ATOM 665 OG SER A 45 -15.106 5.048 14.404 1.00 40.34 O ATOM 0 H SER A 45 -11.897 5.689 16.161 1.00 44.42 H new ATOM 0 HA SER A 45 -13.710 3.469 15.580 1.00 64.01 H new ATOM 0 HB2 SER A 45 -13.499 6.245 14.873 1.00 44.10 H new ATOM 0 HB3 SER A 45 -13.333 5.318 13.395 1.00 44.10 H new ATOM 0 HG SER A 45 -15.550 5.765 13.906 1.00 40.34 H new ATOM 671 N LYS A 46 -10.900 4.057 13.946 1.00 13.12 N ATOM 672 CA LYS A 46 -9.907 3.453 13.066 1.00 2.22 C ATOM 673 C LYS A 46 -8.521 4.032 13.332 1.00 2.02 C ATOM 674 O LYS A 46 -8.384 5.073 13.975 1.00 1.34 O ATOM 675 CB LYS A 46 -10.291 3.675 11.601 1.00 31.45 C ATOM 676 CG LYS A 46 -10.172 2.425 10.746 1.00 45.32 C ATOM 677 CD LYS A 46 -9.584 2.739 9.380 1.00 21.01 C ATOM 678 CE LYS A 46 -8.071 2.886 9.445 1.00 73.34 C ATOM 679 NZ LYS A 46 -7.397 2.174 8.324 1.00 42.44 N ATOM 0 H LYS A 46 -10.650 4.985 14.289 1.00 13.12 H new ATOM 0 HA LYS A 46 -9.880 2.383 13.270 1.00 2.22 H new ATOM 0 HB2 LYS A 46 -11.317 4.041 11.554 1.00 31.45 H new ATOM 0 HB3 LYS A 46 -9.655 4.454 11.181 1.00 31.45 H new ATOM 0 HG2 LYS A 46 -9.544 1.694 11.254 1.00 45.32 H new ATOM 0 HG3 LYS A 46 -11.155 1.971 10.624 1.00 45.32 H new ATOM 0 HD2 LYS A 46 -9.844 1.945 8.680 1.00 21.01 H new ATOM 0 HD3 LYS A 46 -10.024 3.659 8.996 1.00 21.01 H new ATOM 0 HE2 LYS A 46 -7.807 3.943 9.415 1.00 73.34 H new ATOM 0 HE3 LYS A 46 -7.708 2.494 10.395 1.00 73.34 H new ATOM 0 HZ1 LYS A 46 -6.384 2.408 8.324 1.00 42.44 H new ATOM 0 HZ2 LYS A 46 -7.516 1.148 8.443 1.00 42.44 H new ATOM 0 HZ3 LYS A 46 -7.821 2.469 7.421 1.00 42.44 H new ATOM 693 N THR A 47 -7.494 3.351 12.832 1.00 11.40 N ATOM 694 CA THR A 47 -6.119 3.798 13.015 1.00 10.03 C ATOM 695 C THR A 47 -5.487 4.191 11.685 1.00 3.42 C ATOM 696 O THR A 47 -5.523 3.444 10.708 1.00 60.51 O ATOM 697 CB THR A 47 -5.257 2.706 13.677 1.00 13.45 C ATOM 698 OG1 THR A 47 -4.927 1.695 12.719 1.00 22.14 O ATOM 699 CG2 THR A 47 -5.990 2.078 14.854 1.00 44.24 C ATOM 0 H THR A 47 -7.589 2.488 12.297 1.00 11.40 H new ATOM 0 HA THR A 47 -6.154 4.669 13.669 1.00 10.03 H new ATOM 0 HB THR A 47 -4.342 3.169 14.045 1.00 13.45 H new ATOM 0 HG1 THR A 47 -4.913 2.087 11.821 1.00 22.14 H new ATOM 0 HG21 THR A 47 -5.362 1.310 15.306 1.00 44.24 H new ATOM 0 HG22 THR A 47 -6.214 2.846 15.595 1.00 44.24 H new ATOM 0 HG23 THR A 47 -6.920 1.628 14.506 1.00 44.24 H new ATOM 707 N PRO A 48 -4.892 5.393 11.644 1.00 21.12 N ATOM 708 CA PRO A 48 -4.239 5.912 10.439 1.00 42.11 C ATOM 709 C PRO A 48 -2.957 5.157 10.103 1.00 11.22 C ATOM 710 O PRO A 48 -2.426 4.417 10.932 1.00 74.15 O ATOM 711 CB PRO A 48 -3.924 7.365 10.804 1.00 23.21 C ATOM 712 CG PRO A 48 -3.829 7.370 12.291 1.00 74.22 C ATOM 713 CD PRO A 48 -4.811 6.337 12.771 1.00 22.15 C ATOM 0 HA PRO A 48 -4.870 5.807 9.556 1.00 42.11 H new ATOM 0 HB2 PRO A 48 -2.991 7.695 10.347 1.00 23.21 H new ATOM 0 HB3 PRO A 48 -4.706 8.039 10.455 1.00 23.21 H new ATOM 0 HG2 PRO A 48 -2.818 7.129 12.618 1.00 74.22 H new ATOM 0 HG3 PRO A 48 -4.069 8.354 12.694 1.00 74.22 H new ATOM 0 HD2 PRO A 48 -4.466 5.847 13.681 1.00 22.15 H new ATOM 0 HD3 PRO A 48 -5.782 6.779 12.995 1.00 22.15 H new ATOM 721 N ASP A 49 -2.465 5.350 8.885 1.00 63.45 N ATOM 722 CA ASP A 49 -1.244 4.688 8.440 1.00 63.31 C ATOM 723 C ASP A 49 -0.012 5.367 9.029 1.00 3.35 C ATOM 724 O ASP A 49 1.081 4.801 9.032 1.00 64.05 O ATOM 725 CB ASP A 49 -1.163 4.693 6.913 1.00 65.14 C ATOM 726 CG ASP A 49 -1.316 3.306 6.320 1.00 32.00 C ATOM 727 OD1 ASP A 49 -0.865 2.334 6.961 1.00 44.13 O ATOM 728 OD2 ASP A 49 -1.887 3.192 5.215 1.00 14.50 O ATOM 0 H ASP A 49 -2.893 5.959 8.188 1.00 63.45 H new ATOM 0 HA ASP A 49 -1.271 3.656 8.791 1.00 63.31 H new ATOM 0 HB2 ASP A 49 -1.941 5.344 6.513 1.00 65.14 H new ATOM 0 HB3 ASP A 49 -0.206 5.113 6.604 1.00 65.14 H new ATOM 733 N VAL A 50 -0.196 6.586 9.528 1.00 22.43 N ATOM 734 CA VAL A 50 0.900 7.343 10.121 1.00 62.13 C ATOM 735 C VAL A 50 0.429 8.714 10.593 1.00 61.24 C ATOM 736 O VAL A 50 -0.088 9.509 9.807 1.00 41.21 O ATOM 737 CB VAL A 50 2.060 7.526 9.123 1.00 35.13 C ATOM 738 CG1 VAL A 50 1.558 8.148 7.829 1.00 15.02 C ATOM 739 CG2 VAL A 50 3.163 8.373 9.739 1.00 52.11 C ATOM 0 H VAL A 50 -1.094 7.070 9.533 1.00 22.43 H new ATOM 0 HA VAL A 50 1.254 6.769 10.977 1.00 62.13 H new ATOM 0 HB VAL A 50 2.474 6.545 8.889 1.00 35.13 H new ATOM 0 HG11 VAL A 50 2.391 8.270 7.137 1.00 15.02 H new ATOM 0 HG12 VAL A 50 0.806 7.499 7.381 1.00 15.02 H new ATOM 0 HG13 VAL A 50 1.117 9.122 8.041 1.00 15.02 H new ATOM 0 HG21 VAL A 50 3.974 8.492 9.021 1.00 52.11 H new ATOM 0 HG22 VAL A 50 2.765 9.353 10.003 1.00 52.11 H new ATOM 0 HG23 VAL A 50 3.541 7.882 10.635 1.00 52.11 H new ATOM 749 N LEU A 51 0.611 8.985 11.880 1.00 21.22 N ATOM 750 CA LEU A 51 0.205 10.261 12.458 1.00 2.23 C ATOM 751 C LEU A 51 1.412 11.026 12.991 1.00 5.31 C ATOM 752 O LEU A 51 2.377 10.429 13.471 1.00 43.25 O ATOM 753 CB LEU A 51 -0.807 10.035 13.583 1.00 3.30 C ATOM 754 CG LEU A 51 -1.656 11.245 13.974 1.00 34.13 C ATOM 755 CD1 LEU A 51 -3.130 10.871 14.016 1.00 40.02 C ATOM 756 CD2 LEU A 51 -1.207 11.800 15.318 1.00 11.10 C ATOM 0 H LEU A 51 1.037 8.338 12.544 1.00 21.22 H new ATOM 0 HA LEU A 51 -0.261 10.856 11.672 1.00 2.23 H new ATOM 0 HB2 LEU A 51 -1.476 9.227 13.286 1.00 3.30 H new ATOM 0 HB3 LEU A 51 -0.268 9.694 14.467 1.00 3.30 H new ATOM 0 HG LEU A 51 -1.519 12.020 13.219 1.00 34.13 H new ATOM 0 HD11 LEU A 51 -3.719 11.744 14.296 1.00 40.02 H new ATOM 0 HD12 LEU A 51 -3.445 10.521 13.033 1.00 40.02 H new ATOM 0 HD13 LEU A 51 -3.284 10.079 14.749 1.00 40.02 H new ATOM 0 HD21 LEU A 51 -1.822 12.661 15.580 1.00 11.10 H new ATOM 0 HD22 LEU A 51 -1.314 11.031 16.083 1.00 11.10 H new ATOM 0 HD23 LEU A 51 -0.163 12.106 15.255 1.00 11.10 H new ATOM 768 N LEU A 52 1.352 12.351 12.906 1.00 74.41 N ATOM 769 CA LEU A 52 2.439 13.199 13.382 1.00 61.43 C ATOM 770 C LEU A 52 2.037 13.938 14.654 1.00 73.23 C ATOM 771 O LEU A 52 1.668 15.111 14.611 1.00 15.32 O ATOM 772 CB LEU A 52 2.840 14.203 12.300 1.00 72.14 C ATOM 773 CG LEU A 52 3.083 13.625 10.905 1.00 52.52 C ATOM 774 CD1 LEU A 52 1.792 13.609 10.101 1.00 33.04 C ATOM 775 CD2 LEU A 52 4.156 14.422 10.177 1.00 13.52 C ATOM 0 H LEU A 52 0.562 12.861 12.512 1.00 74.41 H new ATOM 0 HA LEU A 52 3.292 12.560 13.610 1.00 61.43 H new ATOM 0 HB2 LEU A 52 2.059 14.960 12.227 1.00 72.14 H new ATOM 0 HB3 LEU A 52 3.748 14.712 12.624 1.00 72.14 H new ATOM 0 HG LEU A 52 3.432 12.598 11.014 1.00 52.52 H new ATOM 0 HD11 LEU A 52 1.985 13.195 9.111 1.00 33.04 H new ATOM 0 HD12 LEU A 52 1.052 12.995 10.614 1.00 33.04 H new ATOM 0 HD13 LEU A 52 1.413 14.626 10.001 1.00 33.04 H new ATOM 0 HD21 LEU A 52 4.316 13.997 9.186 1.00 13.52 H new ATOM 0 HD22 LEU A 52 3.835 15.459 10.079 1.00 13.52 H new ATOM 0 HD23 LEU A 52 5.086 14.382 10.744 1.00 13.52 H new ATOM 787 N SER A 53 2.113 13.244 15.785 1.00 74.43 N ATOM 788 CA SER A 53 1.755 13.834 17.069 1.00 33.53 C ATOM 789 C SER A 53 2.486 15.155 17.283 1.00 43.33 C ATOM 790 O SER A 53 3.659 15.291 16.934 1.00 2.55 O ATOM 791 CB SER A 53 2.083 12.866 18.208 1.00 43.10 C ATOM 792 OG SER A 53 0.945 12.105 18.575 1.00 4.42 O ATOM 0 H SER A 53 2.419 12.273 15.838 1.00 74.43 H new ATOM 0 HA SER A 53 0.683 14.029 17.065 1.00 33.53 H new ATOM 0 HB2 SER A 53 2.888 12.198 17.901 1.00 43.10 H new ATOM 0 HB3 SER A 53 2.445 13.425 19.071 1.00 43.10 H new ATOM 0 HG SER A 53 1.231 11.299 19.053 1.00 4.42 H new ATOM 798 N ASP A 54 1.785 16.126 17.857 1.00 11.13 N ATOM 799 CA ASP A 54 2.366 17.438 18.119 1.00 64.41 C ATOM 800 C ASP A 54 2.357 17.748 19.612 1.00 12.24 C ATOM 801 O ASP A 54 1.320 17.650 20.270 1.00 63.30 O ATOM 802 CB ASP A 54 1.601 18.520 17.355 1.00 25.24 C ATOM 803 CG ASP A 54 2.311 19.859 17.384 1.00 52.43 C ATOM 804 OD1 ASP A 54 3.552 19.870 17.519 1.00 0.22 O ATOM 805 OD2 ASP A 54 1.625 20.897 17.271 1.00 13.02 O ATOM 0 H ASP A 54 0.813 16.030 18.150 1.00 11.13 H new ATOM 0 HA ASP A 54 3.400 17.425 17.776 1.00 64.41 H new ATOM 0 HB2 ASP A 54 1.468 18.205 16.320 1.00 25.24 H new ATOM 0 HB3 ASP A 54 0.606 18.630 17.785 1.00 25.24 H new ATOM 810 N ILE A 55 3.517 18.122 20.141 1.00 11.12 N ATOM 811 CA ILE A 55 3.641 18.447 21.557 1.00 64.22 C ATOM 812 C ILE A 55 4.013 19.913 21.754 1.00 35.40 C ATOM 813 O ILE A 55 4.904 20.238 22.538 1.00 31.45 O ATOM 814 CB ILE A 55 4.699 17.564 22.246 1.00 75.00 C ATOM 815 CG1 ILE A 55 5.946 17.444 21.368 1.00 75.35 C ATOM 816 CG2 ILE A 55 4.123 16.189 22.550 1.00 65.40 C ATOM 817 CD1 ILE A 55 5.891 16.285 20.396 1.00 11.52 C ATOM 0 H ILE A 55 4.384 18.208 19.611 1.00 11.12 H new ATOM 0 HA ILE A 55 2.668 18.257 22.011 1.00 64.22 H new ATOM 0 HB ILE A 55 4.986 18.033 23.187 1.00 75.00 H new ATOM 0 HG12 ILE A 55 6.078 18.371 20.809 1.00 75.35 H new ATOM 0 HG13 ILE A 55 6.821 17.330 22.007 1.00 75.35 H new ATOM 0 HG21 ILE A 55 4.882 15.576 23.037 1.00 65.40 H new ATOM 0 HG22 ILE A 55 3.262 16.293 23.210 1.00 65.40 H new ATOM 0 HG23 ILE A 55 3.812 15.711 21.621 1.00 65.40 H new ATOM 0 HD11 ILE A 55 6.807 16.261 19.806 1.00 11.52 H new ATOM 0 HD12 ILE A 55 5.790 15.351 20.949 1.00 11.52 H new ATOM 0 HD13 ILE A 55 5.035 16.407 19.732 1.00 11.52 H new ATOM 829 N ARG A 56 3.322 20.794 21.038 1.00 35.32 N ATOM 830 CA ARG A 56 3.578 22.226 21.135 1.00 71.31 C ATOM 831 C ARG A 56 2.566 23.016 20.311 1.00 54.10 C ATOM 832 O ARG A 56 2.919 23.650 19.317 1.00 61.30 O ATOM 833 CB ARG A 56 4.997 22.544 20.661 1.00 1.41 C ATOM 834 CG ARG A 56 5.376 24.009 20.813 1.00 33.54 C ATOM 835 CD ARG A 56 6.412 24.426 19.782 1.00 40.21 C ATOM 836 NE ARG A 56 7.025 25.710 20.111 1.00 52.43 N ATOM 837 CZ ARG A 56 6.409 26.878 19.962 1.00 42.11 C ATOM 838 NH1 ARG A 56 5.170 26.923 19.493 1.00 70.24 N ATOM 839 NH2 ARG A 56 7.033 28.004 20.283 1.00 1.24 N ATOM 0 H ARG A 56 2.581 20.541 20.385 1.00 35.32 H new ATOM 0 HA ARG A 56 3.477 22.518 22.180 1.00 71.31 H new ATOM 0 HB2 ARG A 56 5.704 21.934 21.223 1.00 1.41 H new ATOM 0 HB3 ARG A 56 5.093 22.259 19.613 1.00 1.41 H new ATOM 0 HG2 ARG A 56 4.486 24.629 20.707 1.00 33.54 H new ATOM 0 HG3 ARG A 56 5.768 24.182 21.815 1.00 33.54 H new ATOM 0 HD2 ARG A 56 7.186 23.661 19.716 1.00 40.21 H new ATOM 0 HD3 ARG A 56 5.942 24.490 18.801 1.00 40.21 H new ATOM 0 HE ARG A 56 7.978 25.710 20.475 1.00 52.43 H new ATOM 0 HH11 ARG A 56 4.687 26.060 19.245 1.00 70.24 H new ATOM 0 HH12 ARG A 56 4.700 27.821 19.380 1.00 70.24 H new ATOM 0 HH21 ARG A 56 7.986 27.974 20.644 1.00 1.24 H new ATOM 0 HH22 ARG A 56 6.559 28.900 20.168 1.00 1.24 H new ATOM 853 N MET A 57 1.306 22.973 20.731 1.00 34.05 N ATOM 854 CA MET A 57 0.242 23.686 20.033 1.00 64.33 C ATOM 855 C MET A 57 -0.854 24.114 21.003 1.00 60.10 C ATOM 856 O MET A 57 -1.024 23.538 22.078 1.00 11.40 O ATOM 857 CB MET A 57 -0.351 22.807 18.930 1.00 20.31 C ATOM 858 CG MET A 57 -0.578 21.366 19.358 1.00 75.10 C ATOM 859 SD MET A 57 -1.951 20.590 18.483 1.00 62.10 S ATOM 860 CE MET A 57 -2.299 19.203 19.561 1.00 24.41 C ATOM 0 H MET A 57 0.997 22.452 21.551 1.00 34.05 H new ATOM 0 HA MET A 57 0.673 24.580 19.583 1.00 64.33 H new ATOM 0 HB2 MET A 57 -1.300 23.235 18.606 1.00 20.31 H new ATOM 0 HB3 MET A 57 0.316 22.821 18.068 1.00 20.31 H new ATOM 0 HG2 MET A 57 0.331 20.791 19.182 1.00 75.10 H new ATOM 0 HG3 MET A 57 -0.772 21.336 20.430 1.00 75.10 H new ATOM 0 HE1 MET A 57 -2.260 18.277 18.987 1.00 24.41 H new ATOM 0 HE2 MET A 57 -1.557 19.167 20.358 1.00 24.41 H new ATOM 0 HE3 MET A 57 -3.292 19.320 19.995 1.00 24.41 H new ATOM 870 N PRO A 58 -1.616 25.148 20.617 1.00 11.14 N ATOM 871 CA PRO A 58 -2.709 25.676 21.439 1.00 32.33 C ATOM 872 C PRO A 58 -3.888 24.712 21.524 1.00 0.10 C ATOM 873 O PRO A 58 -4.697 24.785 22.448 1.00 3.12 O ATOM 874 CB PRO A 58 -3.117 26.957 20.707 1.00 31.42 C ATOM 875 CG PRO A 58 -2.710 26.730 19.292 1.00 2.22 C ATOM 876 CD PRO A 58 -1.470 25.882 19.349 1.00 64.30 C ATOM 0 HA PRO A 58 -2.400 25.839 22.472 1.00 32.33 H new ATOM 0 HB2 PRO A 58 -4.190 27.134 20.787 1.00 31.42 H new ATOM 0 HB3 PRO A 58 -2.617 27.830 21.128 1.00 31.42 H new ATOM 0 HG2 PRO A 58 -3.501 26.228 18.734 1.00 2.22 H new ATOM 0 HG3 PRO A 58 -2.513 27.675 18.786 1.00 2.22 H new ATOM 0 HD2 PRO A 58 -1.407 25.204 18.498 1.00 64.30 H new ATOM 0 HD3 PRO A 58 -0.566 26.491 19.339 1.00 64.30 H new ATOM 884 N GLY A 59 -3.979 23.808 20.553 1.00 40.41 N ATOM 885 CA GLY A 59 -5.062 22.843 20.537 1.00 33.12 C ATOM 886 C GLY A 59 -5.198 22.102 21.853 1.00 42.14 C ATOM 887 O GLY A 59 -6.042 22.444 22.681 1.00 63.53 O ATOM 0 H GLY A 59 -3.322 23.727 19.777 1.00 40.41 H new ATOM 0 HA2 GLY A 59 -5.998 23.355 20.314 1.00 33.12 H new ATOM 0 HA3 GLY A 59 -4.893 22.125 19.735 1.00 33.12 H new ATOM 891 N MET A 60 -4.366 21.084 22.045 1.00 64.10 N ATOM 892 CA MET A 60 -4.397 20.292 23.269 1.00 11.44 C ATOM 893 C MET A 60 -2.994 19.838 23.659 1.00 11.25 C ATOM 894 O MET A 60 -2.370 20.415 24.551 1.00 74.42 O ATOM 895 CB MET A 60 -5.309 19.077 23.093 1.00 62.41 C ATOM 896 CG MET A 60 -5.292 18.127 24.280 1.00 50.03 C ATOM 897 SD MET A 60 -6.915 17.425 24.630 1.00 33.42 S ATOM 898 CE MET A 60 -6.848 15.918 23.664 1.00 70.01 C ATOM 0 H MET A 60 -3.662 20.788 21.369 1.00 64.10 H new ATOM 0 HA MET A 60 -4.791 20.920 24.068 1.00 11.44 H new ATOM 0 HB2 MET A 60 -6.330 19.420 22.928 1.00 62.41 H new ATOM 0 HB3 MET A 60 -5.007 18.533 22.198 1.00 62.41 H new ATOM 0 HG2 MET A 60 -4.586 17.320 24.085 1.00 50.03 H new ATOM 0 HG3 MET A 60 -4.933 18.659 25.161 1.00 50.03 H new ATOM 0 HE1 MET A 60 -7.857 15.528 23.528 1.00 70.01 H new ATOM 0 HE2 MET A 60 -6.406 16.129 22.690 1.00 70.01 H new ATOM 0 HE3 MET A 60 -6.240 15.178 24.185 1.00 70.01 H new ATOM 908 N ASP A 61 -2.504 18.803 22.987 1.00 32.41 N ATOM 909 CA ASP A 61 -1.174 18.272 23.263 1.00 33.32 C ATOM 910 C ASP A 61 -0.881 17.058 22.387 1.00 71.11 C ATOM 911 O ASP A 61 -1.681 16.692 21.527 1.00 53.50 O ATOM 912 CB ASP A 61 -1.050 17.893 24.740 1.00 64.54 C ATOM 913 CG ASP A 61 -2.257 17.128 25.245 1.00 72.21 C ATOM 914 OD1 ASP A 61 -2.680 16.169 24.565 1.00 22.11 O ATOM 915 OD2 ASP A 61 -2.779 17.487 26.321 1.00 51.53 O ATOM 0 H ASP A 61 -3.008 18.314 22.247 1.00 32.41 H new ATOM 0 HA ASP A 61 -0.444 19.048 23.032 1.00 33.32 H new ATOM 0 HB2 ASP A 61 -0.154 17.288 24.883 1.00 64.54 H new ATOM 0 HB3 ASP A 61 -0.922 18.798 25.335 1.00 64.54 H new ATOM 920 N GLY A 62 0.273 16.437 22.611 1.00 3.31 N ATOM 921 CA GLY A 62 0.652 15.272 21.833 1.00 4.25 C ATOM 922 C GLY A 62 0.846 14.039 22.693 1.00 3.14 C ATOM 923 O GLY A 62 1.017 12.934 22.178 1.00 64.35 O ATOM 0 H GLY A 62 0.952 16.720 23.317 1.00 3.31 H new ATOM 0 HA2 GLY A 62 -0.116 15.073 21.085 1.00 4.25 H new ATOM 0 HA3 GLY A 62 1.575 15.484 21.293 1.00 4.25 H new ATOM 927 N LEU A 63 0.822 14.227 24.008 1.00 14.02 N ATOM 928 CA LEU A 63 0.998 13.121 24.943 1.00 73.33 C ATOM 929 C LEU A 63 -0.329 12.416 25.209 1.00 43.04 C ATOM 930 O LEU A 63 -0.384 11.190 25.303 1.00 44.31 O ATOM 931 CB LEU A 63 1.591 13.628 26.258 1.00 25.11 C ATOM 932 CG LEU A 63 3.080 13.977 26.232 1.00 30.22 C ATOM 933 CD1 LEU A 63 3.479 14.707 27.505 1.00 24.53 C ATOM 934 CD2 LEU A 63 3.919 12.721 26.050 1.00 61.53 C ATOM 0 H LEU A 63 0.682 15.135 24.451 1.00 14.02 H new ATOM 0 HA LEU A 63 1.686 12.404 24.494 1.00 73.33 H new ATOM 0 HB2 LEU A 63 1.036 14.514 26.566 1.00 25.11 H new ATOM 0 HB3 LEU A 63 1.429 12.869 27.023 1.00 25.11 H new ATOM 0 HG LEU A 63 3.264 14.638 25.385 1.00 30.22 H new ATOM 0 HD11 LEU A 63 4.542 14.947 27.469 1.00 24.53 H new ATOM 0 HD12 LEU A 63 2.902 15.627 27.593 1.00 24.53 H new ATOM 0 HD13 LEU A 63 3.280 14.070 28.367 1.00 24.53 H new ATOM 0 HD21 LEU A 63 4.976 12.988 26.034 1.00 61.53 H new ATOM 0 HD22 LEU A 63 3.731 12.035 26.876 1.00 61.53 H new ATOM 0 HD23 LEU A 63 3.652 12.238 25.110 1.00 61.53 H new ATOM 946 N ALA A 64 -1.396 13.199 25.326 1.00 2.43 N ATOM 947 CA ALA A 64 -2.723 12.650 25.577 1.00 44.33 C ATOM 948 C ALA A 64 -3.177 11.765 24.422 1.00 72.44 C ATOM 949 O ALA A 64 -3.915 10.798 24.620 1.00 41.34 O ATOM 950 CB ALA A 64 -3.723 13.773 25.809 1.00 31.20 C ATOM 0 H ALA A 64 -1.368 14.216 25.251 1.00 2.43 H new ATOM 0 HA ALA A 64 -2.671 12.034 26.474 1.00 44.33 H new ATOM 0 HB1 ALA A 64 -4.710 13.349 25.995 1.00 31.20 H new ATOM 0 HB2 ALA A 64 -3.413 14.364 26.671 1.00 31.20 H new ATOM 0 HB3 ALA A 64 -3.763 14.412 24.927 1.00 31.20 H new ATOM 956 N LEU A 65 -2.734 12.100 23.215 1.00 25.12 N ATOM 957 CA LEU A 65 -3.096 11.335 22.027 1.00 65.11 C ATOM 958 C LEU A 65 -2.147 10.157 21.828 1.00 34.31 C ATOM 959 O LEU A 65 -2.580 9.037 21.553 1.00 75.02 O ATOM 960 CB LEU A 65 -3.075 12.235 20.791 1.00 44.44 C ATOM 961 CG LEU A 65 -3.800 11.698 19.556 1.00 23.23 C ATOM 962 CD1 LEU A 65 -5.306 11.811 19.731 1.00 52.14 C ATOM 963 CD2 LEU A 65 -3.348 12.440 18.307 1.00 51.10 C ATOM 0 H LEU A 65 -2.123 12.897 23.033 1.00 25.12 H new ATOM 0 HA LEU A 65 -4.104 10.946 22.169 1.00 65.11 H new ATOM 0 HB2 LEU A 65 -3.517 13.195 21.058 1.00 44.44 H new ATOM 0 HB3 LEU A 65 -2.036 12.426 20.523 1.00 44.44 H new ATOM 0 HG LEU A 65 -3.547 10.644 19.439 1.00 23.23 H new ATOM 0 HD11 LEU A 65 -5.806 11.424 18.843 1.00 52.14 H new ATOM 0 HD12 LEU A 65 -5.615 11.233 20.602 1.00 52.14 H new ATOM 0 HD13 LEU A 65 -5.578 12.857 19.874 1.00 52.14 H new ATOM 0 HD21 LEU A 65 -3.874 12.044 17.438 1.00 51.10 H new ATOM 0 HD22 LEU A 65 -3.571 13.502 18.414 1.00 51.10 H new ATOM 0 HD23 LEU A 65 -2.275 12.306 18.173 1.00 51.10 H new ATOM 975 N LEU A 66 -0.852 10.416 21.971 1.00 33.31 N ATOM 976 CA LEU A 66 0.158 9.376 21.810 1.00 43.14 C ATOM 977 C LEU A 66 -0.022 8.275 22.850 1.00 50.22 C ATOM 978 O LEU A 66 0.374 7.130 22.633 1.00 64.11 O ATOM 979 CB LEU A 66 1.560 9.978 21.925 1.00 70.43 C ATOM 980 CG LEU A 66 2.725 9.006 21.734 1.00 21.23 C ATOM 981 CD1 LEU A 66 2.837 8.586 20.277 1.00 21.31 C ATOM 982 CD2 LEU A 66 4.027 9.633 22.212 1.00 55.41 C ATOM 0 H LEU A 66 -0.477 11.337 22.198 1.00 33.31 H new ATOM 0 HA LEU A 66 0.037 8.937 20.820 1.00 43.14 H new ATOM 0 HB2 LEU A 66 1.653 10.775 21.187 1.00 70.43 H new ATOM 0 HB3 LEU A 66 1.656 10.440 22.907 1.00 70.43 H new ATOM 0 HG LEU A 66 2.532 8.116 22.333 1.00 21.23 H new ATOM 0 HD11 LEU A 66 3.671 7.894 20.161 1.00 21.31 H new ATOM 0 HD12 LEU A 66 1.914 8.096 19.968 1.00 21.31 H new ATOM 0 HD13 LEU A 66 3.006 9.466 19.657 1.00 21.31 H new ATOM 0 HD21 LEU A 66 4.845 8.927 22.068 1.00 55.41 H new ATOM 0 HD22 LEU A 66 4.226 10.540 21.640 1.00 55.41 H new ATOM 0 HD23 LEU A 66 3.944 9.882 23.270 1.00 55.41 H new ATOM 994 N LYS A 67 -0.625 8.629 23.980 1.00 42.02 N ATOM 995 CA LYS A 67 -0.862 7.671 25.053 1.00 2.44 C ATOM 996 C LYS A 67 -1.911 6.643 24.643 1.00 24.51 C ATOM 997 O LYS A 67 -2.006 5.570 25.238 1.00 22.35 O ATOM 998 CB LYS A 67 -1.314 8.398 26.322 1.00 21.02 C ATOM 999 CG LYS A 67 -1.341 7.511 27.555 1.00 63.54 C ATOM 1000 CD LYS A 67 -0.506 8.096 28.682 1.00 74.04 C ATOM 1001 CE LYS A 67 -1.367 8.872 29.667 1.00 41.02 C ATOM 1002 NZ LYS A 67 -1.830 8.015 30.793 1.00 12.33 N ATOM 0 H LYS A 67 -0.958 9.573 24.176 1.00 42.02 H new ATOM 0 HA LYS A 67 0.074 7.149 25.254 1.00 2.44 H new ATOM 0 HB2 LYS A 67 -0.647 9.240 26.505 1.00 21.02 H new ATOM 0 HB3 LYS A 67 -2.310 8.810 26.159 1.00 21.02 H new ATOM 0 HG2 LYS A 67 -2.370 7.385 27.891 1.00 63.54 H new ATOM 0 HG3 LYS A 67 -0.966 6.520 27.300 1.00 63.54 H new ATOM 0 HD2 LYS A 67 0.015 7.294 29.205 1.00 74.04 H new ATOM 0 HD3 LYS A 67 0.258 8.754 28.267 1.00 74.04 H new ATOM 0 HE2 LYS A 67 -0.798 9.714 30.061 1.00 41.02 H new ATOM 0 HE3 LYS A 67 -2.231 9.286 29.147 1.00 41.02 H new ATOM 0 HZ1 LYS A 67 -2.414 8.580 31.442 1.00 12.33 H new ATOM 0 HZ2 LYS A 67 -2.394 7.225 30.419 1.00 12.33 H new ATOM 0 HZ3 LYS A 67 -1.006 7.640 31.305 1.00 12.33 H new ATOM 1016 N GLN A 68 -2.693 6.977 23.623 1.00 75.05 N ATOM 1017 CA GLN A 68 -3.734 6.081 23.133 1.00 33.21 C ATOM 1018 C GLN A 68 -3.175 5.111 22.098 1.00 62.41 C ATOM 1019 O GLN A 68 -3.386 3.901 22.189 1.00 73.11 O ATOM 1020 CB GLN A 68 -4.885 6.885 22.526 1.00 33.12 C ATOM 1021 CG GLN A 68 -6.076 7.041 23.458 1.00 74.52 C ATOM 1022 CD GLN A 68 -7.396 6.748 22.772 1.00 72.14 C ATOM 1023 OE1 GLN A 68 -8.261 6.070 23.327 1.00 31.02 O ATOM 1024 NE2 GLN A 68 -7.558 7.259 21.557 1.00 72.02 N ATOM 0 H GLN A 68 -2.626 7.861 23.119 1.00 75.05 H new ATOM 0 HA GLN A 68 -4.109 5.505 23.979 1.00 33.21 H new ATOM 0 HB2 GLN A 68 -4.520 7.874 22.248 1.00 33.12 H new ATOM 0 HB3 GLN A 68 -5.214 6.397 21.608 1.00 33.12 H new ATOM 0 HG2 GLN A 68 -5.957 6.371 24.309 1.00 74.52 H new ATOM 0 HG3 GLN A 68 -6.093 8.057 23.852 1.00 74.52 H new ATOM 0 HE21 GLN A 68 -6.815 7.815 21.134 1.00 72.02 H new ATOM 0 HE22 GLN A 68 -8.426 7.095 21.046 1.00 72.02 H new ATOM 1033 N ILE A 69 -2.461 5.649 21.115 1.00 72.11 N ATOM 1034 CA ILE A 69 -1.871 4.830 20.063 1.00 10.22 C ATOM 1035 C ILE A 69 -0.758 3.946 20.614 1.00 21.34 C ATOM 1036 O ILE A 69 -0.442 2.900 20.047 1.00 63.13 O ATOM 1037 CB ILE A 69 -1.305 5.699 18.925 1.00 63.15 C ATOM 1038 CG1 ILE A 69 -0.421 6.811 19.493 1.00 24.32 C ATOM 1039 CG2 ILE A 69 -2.436 6.287 18.094 1.00 23.20 C ATOM 1040 CD1 ILE A 69 0.456 7.476 18.455 1.00 13.44 C ATOM 0 H ILE A 69 -2.277 6.648 21.025 1.00 72.11 H new ATOM 0 HA ILE A 69 -2.669 4.201 19.667 1.00 10.22 H new ATOM 0 HB ILE A 69 -0.694 5.070 18.278 1.00 63.15 H new ATOM 0 HG12 ILE A 69 -1.055 7.566 19.959 1.00 24.32 H new ATOM 0 HG13 ILE A 69 0.211 6.396 20.279 1.00 24.32 H new ATOM 0 HG21 ILE A 69 -2.019 6.899 17.294 1.00 23.20 H new ATOM 0 HG22 ILE A 69 -3.028 5.480 17.663 1.00 23.20 H new ATOM 0 HG23 ILE A 69 -3.071 6.904 18.729 1.00 23.20 H new ATOM 0 HD11 ILE A 69 1.055 8.254 18.929 1.00 13.44 H new ATOM 0 HD12 ILE A 69 1.115 6.733 18.006 1.00 13.44 H new ATOM 0 HD13 ILE A 69 -0.170 7.921 17.681 1.00 13.44 H new ATOM 1052 N LYS A 70 -0.167 4.371 21.726 1.00 53.20 N ATOM 1053 CA LYS A 70 0.909 3.617 22.358 1.00 40.41 C ATOM 1054 C LYS A 70 0.349 2.537 23.278 1.00 4.43 C ATOM 1055 O LYS A 70 0.951 1.476 23.441 1.00 53.11 O ATOM 1056 CB LYS A 70 1.820 4.557 23.151 1.00 31.13 C ATOM 1057 CG LYS A 70 1.242 4.976 24.492 1.00 54.22 C ATOM 1058 CD LYS A 70 1.719 4.069 25.613 1.00 3.24 C ATOM 1059 CE LYS A 70 3.112 4.455 26.087 1.00 23.30 C ATOM 1060 NZ LYS A 70 3.132 4.791 27.538 1.00 73.34 N ATOM 0 H LYS A 70 -0.416 5.235 22.208 1.00 53.20 H new ATOM 0 HA LYS A 70 1.491 3.134 21.573 1.00 40.41 H new ATOM 0 HB2 LYS A 70 2.779 4.066 23.316 1.00 31.13 H new ATOM 0 HB3 LYS A 70 2.016 5.448 22.555 1.00 31.13 H new ATOM 0 HG2 LYS A 70 1.530 6.005 24.708 1.00 54.22 H new ATOM 0 HG3 LYS A 70 0.153 4.953 24.443 1.00 54.22 H new ATOM 0 HD2 LYS A 70 1.021 4.123 26.448 1.00 3.24 H new ATOM 0 HD3 LYS A 70 1.724 3.035 25.269 1.00 3.24 H new ATOM 0 HE2 LYS A 70 3.801 3.633 25.895 1.00 23.30 H new ATOM 0 HE3 LYS A 70 3.467 5.310 25.512 1.00 23.30 H new ATOM 0 HZ1 LYS A 70 4.099 5.049 27.821 1.00 73.34 H new ATOM 0 HZ2 LYS A 70 2.494 5.592 27.718 1.00 73.34 H new ATOM 0 HZ3 LYS A 70 2.817 3.967 28.089 1.00 73.34 H new ATOM 1074 N GLN A 71 -0.805 2.816 23.876 1.00 23.51 N ATOM 1075 CA GLN A 71 -1.445 1.866 24.779 1.00 3.52 C ATOM 1076 C GLN A 71 -2.401 0.953 24.020 1.00 35.02 C ATOM 1077 O GLN A 71 -2.264 -0.270 24.052 1.00 32.04 O ATOM 1078 CB GLN A 71 -2.199 2.610 25.883 1.00 24.34 C ATOM 1079 CG GLN A 71 -1.294 3.158 26.975 1.00 43.43 C ATOM 1080 CD GLN A 71 -1.998 3.276 28.312 1.00 24.12 C ATOM 1081 OE1 GLN A 71 -2.924 4.072 28.472 1.00 64.24 O ATOM 1082 NE2 GLN A 71 -1.561 2.482 29.283 1.00 75.31 N ATOM 0 H GLN A 71 -1.315 3.690 23.752 1.00 23.51 H new ATOM 0 HA GLN A 71 -0.667 1.251 25.231 1.00 3.52 H new ATOM 0 HB2 GLN A 71 -2.758 3.434 25.438 1.00 24.34 H new ATOM 0 HB3 GLN A 71 -2.928 1.935 26.332 1.00 24.34 H new ATOM 0 HG2 GLN A 71 -0.426 2.508 27.082 1.00 43.43 H new ATOM 0 HG3 GLN A 71 -0.923 4.138 26.676 1.00 43.43 H new ATOM 0 HE21 GLN A 71 -0.791 1.837 29.107 1.00 75.31 H new ATOM 0 HE22 GLN A 71 -1.996 2.517 30.205 1.00 75.31 H new ATOM 1091 N ARG A 72 -3.371 1.555 23.338 1.00 25.23 N ATOM 1092 CA ARG A 72 -4.351 0.795 22.572 1.00 12.13 C ATOM 1093 C ARG A 72 -3.662 -0.183 21.626 1.00 71.33 C ATOM 1094 O ARG A 72 -3.970 -1.376 21.616 1.00 55.52 O ATOM 1095 CB ARG A 72 -5.253 1.741 21.777 1.00 2.32 C ATOM 1096 CG ARG A 72 -6.058 2.691 22.649 1.00 44.52 C ATOM 1097 CD ARG A 72 -7.007 3.541 21.818 1.00 62.31 C ATOM 1098 NE ARG A 72 -8.370 3.508 22.340 1.00 33.21 N ATOM 1099 CZ ARG A 72 -9.215 2.505 22.127 1.00 61.11 C ATOM 1100 NH1 ARG A 72 -8.838 1.458 21.406 1.00 23.12 N ATOM 1101 NH2 ARG A 72 -10.440 2.548 22.636 1.00 64.23 N ATOM 0 H ARG A 72 -3.499 2.566 23.301 1.00 25.23 H new ATOM 0 HA ARG A 72 -4.961 0.226 23.273 1.00 12.13 H new ATOM 0 HB2 ARG A 72 -4.639 2.324 21.090 1.00 2.32 H new ATOM 0 HB3 ARG A 72 -5.938 1.151 21.169 1.00 2.32 H new ATOM 0 HG2 ARG A 72 -6.627 2.120 23.382 1.00 44.52 H new ATOM 0 HG3 ARG A 72 -5.380 3.338 23.205 1.00 44.52 H new ATOM 0 HD2 ARG A 72 -6.650 4.571 21.800 1.00 62.31 H new ATOM 0 HD3 ARG A 72 -7.005 3.185 20.788 1.00 62.31 H new ATOM 0 HE ARG A 72 -8.691 4.298 22.899 1.00 33.21 H new ATOM 0 HH11 ARG A 72 -7.897 1.421 21.013 1.00 23.12 H new ATOM 0 HH12 ARG A 72 -9.489 0.689 21.244 1.00 23.12 H new ATOM 0 HH21 ARG A 72 -10.734 3.352 23.191 1.00 64.23 H new ATOM 0 HH22 ARG A 72 -11.088 1.777 22.472 1.00 64.23 H new ATOM 1115 N HIS A 73 -2.728 0.329 20.831 1.00 61.23 N ATOM 1116 CA HIS A 73 -1.995 -0.500 19.880 1.00 2.21 C ATOM 1117 C HIS A 73 -0.737 0.214 19.394 1.00 1.03 C ATOM 1118 O HIS A 73 -0.724 0.854 18.343 1.00 52.23 O ATOM 1119 CB HIS A 73 -2.885 -0.856 18.689 1.00 31.34 C ATOM 1120 CG HIS A 73 -3.938 0.169 18.401 1.00 40.04 C ATOM 1121 ND1 HIS A 73 -5.263 0.005 18.745 1.00 71.30 N ATOM 1122 CD2 HIS A 73 -3.855 1.378 17.798 1.00 44.03 C ATOM 1123 CE1 HIS A 73 -5.950 1.067 18.365 1.00 45.42 C ATOM 1124 NE2 HIS A 73 -5.118 1.916 17.788 1.00 50.12 N ATOM 0 H HIS A 73 -2.461 1.313 20.826 1.00 61.23 H new ATOM 0 HA HIS A 73 -1.698 -1.417 20.389 1.00 2.21 H new ATOM 0 HB2 HIS A 73 -2.261 -0.982 17.804 1.00 31.34 H new ATOM 0 HB3 HIS A 73 -3.366 -1.815 18.879 1.00 31.34 H new ATOM 0 HD1 HIS A 73 -5.652 -0.810 19.219 1.00 71.30 H new ATOM 0 HD2 HIS A 73 -2.961 1.835 17.399 1.00 44.03 H new ATOM 0 HE1 HIS A 73 -7.011 1.216 18.502 1.00 45.42 H new ATOM 1132 N PRO A 74 0.347 0.104 20.177 1.00 34.51 N ATOM 1133 CA PRO A 74 1.629 0.732 19.847 1.00 62.02 C ATOM 1134 C PRO A 74 2.306 0.074 18.650 1.00 61.44 C ATOM 1135 O PRO A 74 3.323 0.560 18.155 1.00 73.40 O ATOM 1136 CB PRO A 74 2.463 0.524 21.114 1.00 72.23 C ATOM 1137 CG PRO A 74 1.873 -0.681 21.762 1.00 52.13 C ATOM 1138 CD PRO A 74 0.403 -0.644 21.445 1.00 44.15 C ATOM 0 HA PRO A 74 1.509 1.778 19.566 1.00 62.02 H new ATOM 0 HB2 PRO A 74 3.515 0.370 20.875 1.00 72.23 H new ATOM 0 HB3 PRO A 74 2.410 1.393 21.770 1.00 72.23 H new ATOM 0 HG2 PRO A 74 2.332 -1.593 21.380 1.00 52.13 H new ATOM 0 HG3 PRO A 74 2.040 -0.666 22.839 1.00 52.13 H new ATOM 0 HD2 PRO A 74 -0.011 -1.647 21.339 1.00 44.15 H new ATOM 0 HD3 PRO A 74 -0.165 -0.146 22.231 1.00 44.15 H new ATOM 1146 N MET A 75 1.735 -1.034 18.188 1.00 23.54 N ATOM 1147 CA MET A 75 2.284 -1.758 17.047 1.00 32.23 C ATOM 1148 C MET A 75 2.150 -0.938 15.768 1.00 33.20 C ATOM 1149 O MET A 75 2.785 -1.239 14.756 1.00 1.25 O ATOM 1150 CB MET A 75 1.575 -3.104 16.881 1.00 0.20 C ATOM 1151 CG MET A 75 2.504 -4.233 16.464 1.00 10.54 C ATOM 1152 SD MET A 75 1.642 -5.803 16.262 1.00 34.02 S ATOM 1153 CE MET A 75 2.405 -6.418 14.763 1.00 21.03 C ATOM 0 H MET A 75 0.893 -1.450 18.586 1.00 23.54 H new ATOM 0 HA MET A 75 3.343 -1.934 17.235 1.00 32.23 H new ATOM 0 HB2 MET A 75 1.093 -3.370 17.822 1.00 0.20 H new ATOM 0 HB3 MET A 75 0.786 -3.000 16.137 1.00 0.20 H new ATOM 0 HG2 MET A 75 2.993 -3.968 15.527 1.00 10.54 H new ATOM 0 HG3 MET A 75 3.289 -4.347 17.212 1.00 10.54 H new ATOM 0 HE1 MET A 75 1.975 -7.386 14.507 1.00 21.03 H new ATOM 0 HE2 MET A 75 2.227 -5.715 13.949 1.00 21.03 H new ATOM 0 HE3 MET A 75 3.478 -6.527 14.919 1.00 21.03 H new ATOM 1163 N LEU A 76 1.320 0.098 15.819 1.00 32.21 N ATOM 1164 CA LEU A 76 1.102 0.961 14.664 1.00 43.53 C ATOM 1165 C LEU A 76 2.245 1.960 14.508 1.00 54.15 C ATOM 1166 O LEU A 76 2.855 2.400 15.482 1.00 14.32 O ATOM 1167 CB LEU A 76 -0.226 1.707 14.802 1.00 34.32 C ATOM 1168 CG LEU A 76 -0.139 3.144 15.317 1.00 34.21 C ATOM 1169 CD1 LEU A 76 -0.094 4.125 14.156 1.00 23.01 C ATOM 1170 CD2 LEU A 76 -1.314 3.454 16.234 1.00 63.11 C ATOM 0 H LEU A 76 0.787 0.361 16.648 1.00 32.21 H new ATOM 0 HA LEU A 76 1.068 0.333 13.774 1.00 43.53 H new ATOM 0 HB2 LEU A 76 -0.715 1.721 13.828 1.00 34.32 H new ATOM 0 HB3 LEU A 76 -0.870 1.140 15.474 1.00 34.32 H new ATOM 0 HG LEU A 76 0.782 3.249 15.891 1.00 34.21 H new ATOM 0 HD11 LEU A 76 -0.032 5.143 14.542 1.00 23.01 H new ATOM 0 HD12 LEU A 76 0.780 3.918 13.538 1.00 23.01 H new ATOM 0 HD13 LEU A 76 -0.997 4.019 13.555 1.00 23.01 H new ATOM 0 HD21 LEU A 76 -1.236 4.481 16.591 1.00 63.11 H new ATOM 0 HD22 LEU A 76 -2.247 3.331 15.684 1.00 63.11 H new ATOM 0 HD23 LEU A 76 -1.302 2.772 17.084 1.00 63.11 H new ATOM 1182 N PRO A 77 2.541 2.329 13.252 1.00 21.15 N ATOM 1183 CA PRO A 77 3.610 3.282 12.939 1.00 11.01 C ATOM 1184 C PRO A 77 3.269 4.701 13.380 1.00 55.32 C ATOM 1185 O PRO A 77 2.259 5.267 12.959 1.00 22.03 O ATOM 1186 CB PRO A 77 3.716 3.207 11.414 1.00 62.21 C ATOM 1187 CG PRO A 77 2.371 2.754 10.962 1.00 14.32 C ATOM 1188 CD PRO A 77 1.855 1.844 12.043 1.00 44.32 C ATOM 0 HA PRO A 77 4.538 3.039 13.457 1.00 11.01 H new ATOM 0 HB2 PRO A 77 3.971 4.177 10.987 1.00 62.21 H new ATOM 0 HB3 PRO A 77 4.493 2.508 11.105 1.00 62.21 H new ATOM 0 HG2 PRO A 77 1.703 3.602 10.814 1.00 14.32 H new ATOM 0 HG3 PRO A 77 2.436 2.230 10.009 1.00 14.32 H new ATOM 0 HD2 PRO A 77 0.772 1.911 12.141 1.00 44.32 H new ATOM 0 HD3 PRO A 77 2.093 0.800 11.837 1.00 44.32 H new ATOM 1196 N VAL A 78 4.117 5.272 14.229 1.00 14.44 N ATOM 1197 CA VAL A 78 3.905 6.627 14.726 1.00 63.10 C ATOM 1198 C VAL A 78 5.161 7.475 14.560 1.00 2.10 C ATOM 1199 O VAL A 78 6.280 6.977 14.687 1.00 21.04 O ATOM 1200 CB VAL A 78 3.494 6.623 16.210 1.00 24.34 C ATOM 1201 CG1 VAL A 78 3.295 8.044 16.713 1.00 15.23 C ATOM 1202 CG2 VAL A 78 2.234 5.795 16.411 1.00 11.15 C ATOM 0 H VAL A 78 4.957 4.818 14.587 1.00 14.44 H new ATOM 0 HA VAL A 78 3.097 7.059 14.135 1.00 63.10 H new ATOM 0 HB VAL A 78 4.296 6.168 16.790 1.00 24.34 H new ATOM 0 HG11 VAL A 78 3.005 8.021 17.763 1.00 15.23 H new ATOM 0 HG12 VAL A 78 4.225 8.602 16.606 1.00 15.23 H new ATOM 0 HG13 VAL A 78 2.512 8.530 16.131 1.00 15.23 H new ATOM 0 HG21 VAL A 78 1.958 5.803 17.465 1.00 11.15 H new ATOM 0 HG22 VAL A 78 1.422 6.219 15.820 1.00 11.15 H new ATOM 0 HG23 VAL A 78 2.418 4.769 16.092 1.00 11.15 H new ATOM 1212 N ILE A 79 4.968 8.759 14.276 1.00 61.43 N ATOM 1213 CA ILE A 79 6.086 9.677 14.094 1.00 74.30 C ATOM 1214 C ILE A 79 5.903 10.938 14.932 1.00 72.33 C ATOM 1215 O ILE A 79 4.827 11.538 14.942 1.00 24.41 O ATOM 1216 CB ILE A 79 6.252 10.076 12.616 1.00 72.43 C ATOM 1217 CG1 ILE A 79 6.249 8.831 11.726 1.00 44.03 C ATOM 1218 CG2 ILE A 79 7.535 10.869 12.422 1.00 3.24 C ATOM 1219 CD1 ILE A 79 6.296 9.146 10.247 1.00 70.31 C ATOM 0 H ILE A 79 4.049 9.187 14.167 1.00 61.43 H new ATOM 0 HA ILE A 79 6.983 9.152 14.423 1.00 74.30 H new ATOM 0 HB ILE A 79 5.411 10.707 12.329 1.00 72.43 H new ATOM 0 HG12 ILE A 79 7.105 8.208 11.984 1.00 44.03 H new ATOM 0 HG13 ILE A 79 5.354 8.246 11.936 1.00 44.03 H new ATOM 0 HG21 ILE A 79 7.638 11.144 11.372 1.00 3.24 H new ATOM 0 HG22 ILE A 79 7.500 11.772 13.031 1.00 3.24 H new ATOM 0 HG23 ILE A 79 8.388 10.261 12.723 1.00 3.24 H new ATOM 0 HD11 ILE A 79 6.291 8.217 9.677 1.00 70.31 H new ATOM 0 HD12 ILE A 79 5.426 9.744 9.974 1.00 70.31 H new ATOM 0 HD13 ILE A 79 7.205 9.705 10.023 1.00 70.31 H new ATOM 1231 N ILE A 80 6.960 11.335 15.631 1.00 3.12 N ATOM 1232 CA ILE A 80 6.917 12.527 16.469 1.00 22.35 C ATOM 1233 C ILE A 80 7.253 13.778 15.665 1.00 65.54 C ATOM 1234 O ILE A 80 8.306 13.856 15.032 1.00 51.14 O ATOM 1235 CB ILE A 80 7.893 12.416 17.656 1.00 33.11 C ATOM 1236 CG1 ILE A 80 7.786 11.034 18.304 1.00 25.04 C ATOM 1237 CG2 ILE A 80 7.612 13.509 18.677 1.00 73.34 C ATOM 1238 CD1 ILE A 80 6.390 10.693 18.776 1.00 41.42 C ATOM 0 H ILE A 80 7.857 10.849 15.634 1.00 3.12 H new ATOM 0 HA ILE A 80 5.899 12.607 16.851 1.00 22.35 H new ATOM 0 HB ILE A 80 8.910 12.545 17.285 1.00 33.11 H new ATOM 0 HG12 ILE A 80 8.113 10.280 17.588 1.00 25.04 H new ATOM 0 HG13 ILE A 80 8.469 10.986 19.152 1.00 25.04 H new ATOM 0 HG21 ILE A 80 8.310 13.417 19.510 1.00 73.34 H new ATOM 0 HG22 ILE A 80 7.733 14.485 18.208 1.00 73.34 H new ATOM 0 HG23 ILE A 80 6.591 13.408 19.046 1.00 73.34 H new ATOM 0 HD11 ILE A 80 6.390 9.699 19.224 1.00 41.42 H new ATOM 0 HD12 ILE A 80 6.067 11.425 19.516 1.00 41.42 H new ATOM 0 HD13 ILE A 80 5.705 10.708 17.928 1.00 41.42 H new ATOM 1250 N MET A 81 6.353 14.754 15.695 1.00 13.23 N ATOM 1251 CA MET A 81 6.556 16.003 14.971 1.00 54.42 C ATOM 1252 C MET A 81 6.344 17.204 15.887 1.00 14.14 C ATOM 1253 O MET A 81 5.274 17.368 16.476 1.00 43.51 O ATOM 1254 CB MET A 81 5.604 16.085 13.776 1.00 51.03 C ATOM 1255 CG MET A 81 5.510 17.475 13.167 1.00 23.12 C ATOM 1256 SD MET A 81 3.920 18.265 13.481 1.00 3.04 S ATOM 1257 CE MET A 81 2.875 17.400 12.312 1.00 23.42 C ATOM 0 H MET A 81 5.476 14.704 16.213 1.00 13.23 H new ATOM 0 HA MET A 81 7.584 16.021 14.610 1.00 54.42 H new ATOM 0 HB2 MET A 81 5.934 15.383 13.010 1.00 51.03 H new ATOM 0 HB3 MET A 81 4.610 15.768 14.091 1.00 51.03 H new ATOM 0 HG2 MET A 81 6.307 18.099 13.571 1.00 23.12 H new ATOM 0 HG3 MET A 81 5.672 17.408 12.091 1.00 23.12 H new ATOM 0 HE1 MET A 81 2.428 18.117 11.623 1.00 23.42 H new ATOM 0 HE2 MET A 81 3.473 16.682 11.751 1.00 23.42 H new ATOM 0 HE3 MET A 81 2.086 16.873 12.849 1.00 23.42 H new ATOM 1267 N THR A 82 7.369 18.042 16.005 1.00 22.10 N ATOM 1268 CA THR A 82 7.296 19.226 16.851 1.00 55.30 C ATOM 1269 C THR A 82 8.578 20.046 16.763 1.00 71.25 C ATOM 1270 O THR A 82 9.441 19.778 15.927 1.00 34.51 O ATOM 1271 CB THR A 82 7.040 18.850 18.323 1.00 44.52 C ATOM 1272 OG1 THR A 82 6.625 20.007 19.059 1.00 64.42 O ATOM 1273 CG2 THR A 82 8.292 18.262 18.956 1.00 43.40 C ATOM 0 H THR A 82 8.261 17.922 15.524 1.00 22.10 H new ATOM 0 HA THR A 82 6.461 19.824 16.486 1.00 55.30 H new ATOM 0 HB THR A 82 6.250 18.099 18.352 1.00 44.52 H new ATOM 0 HG1 THR A 82 7.162 20.086 19.875 1.00 64.42 H new ATOM 0 HG21 THR A 82 8.088 18.004 19.995 1.00 43.40 H new ATOM 0 HG22 THR A 82 8.589 17.366 18.411 1.00 43.40 H new ATOM 0 HG23 THR A 82 9.098 18.994 18.916 1.00 43.40 H new ATOM 1281 N ALA A 83 8.697 21.046 17.630 1.00 33.51 N ATOM 1282 CA ALA A 83 9.876 21.902 17.651 1.00 14.53 C ATOM 1283 C ALA A 83 10.711 21.656 18.903 1.00 63.43 C ATOM 1284 O ALA A 83 10.558 20.633 19.572 1.00 44.11 O ATOM 1285 CB ALA A 83 9.466 23.365 17.568 1.00 42.52 C ATOM 0 H ALA A 83 7.991 21.283 18.327 1.00 33.51 H new ATOM 0 HA ALA A 83 10.489 21.657 16.783 1.00 14.53 H new ATOM 0 HB1 ALA A 83 10.356 23.994 17.585 1.00 42.52 H new ATOM 0 HB2 ALA A 83 8.917 23.537 16.642 1.00 42.52 H new ATOM 0 HB3 ALA A 83 8.830 23.613 18.418 1.00 42.52 H new ATOM 1291 N HIS A 84 11.596 22.598 19.213 1.00 20.24 N ATOM 1292 CA HIS A 84 12.457 22.482 20.385 1.00 34.13 C ATOM 1293 C HIS A 84 11.626 22.383 21.661 1.00 23.15 C ATOM 1294 O HIS A 84 12.131 21.989 22.713 1.00 51.11 O ATOM 1295 CB HIS A 84 13.403 23.680 20.470 1.00 15.11 C ATOM 1296 CG HIS A 84 12.722 24.953 20.869 1.00 1.31 C ATOM 1297 ND1 HIS A 84 13.138 25.728 21.931 1.00 1.12 N ATOM 1298 CD2 HIS A 84 11.649 25.587 20.340 1.00 4.23 C ATOM 1299 CE1 HIS A 84 12.350 26.782 22.040 1.00 54.54 C ATOM 1300 NE2 HIS A 84 11.438 26.721 21.086 1.00 42.04 N ATOM 0 H HIS A 84 11.736 23.450 18.669 1.00 20.24 H new ATOM 0 HA HIS A 84 13.046 21.571 20.284 1.00 34.13 H new ATOM 0 HB2 HIS A 84 14.192 23.459 21.188 1.00 15.11 H new ATOM 0 HB3 HIS A 84 13.884 23.822 19.502 1.00 15.11 H new ATOM 0 HD2 HIS A 84 11.067 25.262 19.490 1.00 4.23 H new ATOM 0 HE1 HIS A 84 12.436 27.561 22.783 1.00 54.54 H new ATOM 0 HE2 HIS A 84 10.698 27.405 20.929 1.00 42.04 H new ATOM 1308 N SER A 85 10.351 22.744 21.561 1.00 31.34 N ATOM 1309 CA SER A 85 9.452 22.700 22.709 1.00 72.14 C ATOM 1310 C SER A 85 9.587 21.376 23.455 1.00 45.11 C ATOM 1311 O SER A 85 9.454 21.324 24.678 1.00 72.44 O ATOM 1312 CB SER A 85 8.004 22.897 22.256 1.00 13.34 C ATOM 1313 OG SER A 85 7.095 22.542 23.284 1.00 24.43 O ATOM 0 H SER A 85 9.917 23.070 20.697 1.00 31.34 H new ATOM 0 HA SER A 85 9.728 23.508 23.386 1.00 72.14 H new ATOM 0 HB2 SER A 85 7.847 23.937 21.971 1.00 13.34 H new ATOM 0 HB3 SER A 85 7.811 22.291 21.371 1.00 13.34 H new ATOM 0 HG SER A 85 6.662 23.350 23.631 1.00 24.43 H new ATOM 1319 N ASP A 86 9.854 20.309 22.710 1.00 53.02 N ATOM 1320 CA ASP A 86 10.009 18.984 23.299 1.00 11.24 C ATOM 1321 C ASP A 86 10.811 18.070 22.378 1.00 14.02 C ATOM 1322 O ASP A 86 10.327 17.019 21.954 1.00 2.34 O ATOM 1323 CB ASP A 86 8.639 18.366 23.586 1.00 43.44 C ATOM 1324 CG ASP A 86 8.105 18.750 24.951 1.00 1.35 C ATOM 1325 OD1 ASP A 86 8.720 18.351 25.963 1.00 54.10 O ATOM 1326 OD2 ASP A 86 7.073 19.451 25.009 1.00 71.40 O ATOM 0 H ASP A 86 9.968 20.336 21.697 1.00 53.02 H new ATOM 0 HA ASP A 86 10.553 19.092 24.237 1.00 11.24 H new ATOM 0 HB2 ASP A 86 7.932 18.685 22.820 1.00 43.44 H new ATOM 0 HB3 ASP A 86 8.712 17.280 23.520 1.00 43.44 H new ATOM 1331 N LEU A 87 12.037 18.477 22.071 1.00 24.21 N ATOM 1332 CA LEU A 87 12.907 17.695 21.199 1.00 72.12 C ATOM 1333 C LEU A 87 13.539 16.533 21.959 1.00 13.32 C ATOM 1334 O LEU A 87 13.941 15.534 21.363 1.00 31.13 O ATOM 1335 CB LEU A 87 14.000 18.585 20.605 1.00 73.05 C ATOM 1336 CG LEU A 87 15.170 17.858 19.940 1.00 55.40 C ATOM 1337 CD1 LEU A 87 14.702 17.122 18.694 1.00 21.23 C ATOM 1338 CD2 LEU A 87 16.281 18.840 19.596 1.00 33.42 C ATOM 0 H LEU A 87 12.452 19.344 22.413 1.00 24.21 H new ATOM 0 HA LEU A 87 12.299 17.288 20.391 1.00 72.12 H new ATOM 0 HB2 LEU A 87 13.543 19.245 19.868 1.00 73.05 H new ATOM 0 HB3 LEU A 87 14.396 19.219 21.399 1.00 73.05 H new ATOM 0 HG LEU A 87 15.565 17.125 20.643 1.00 55.40 H new ATOM 0 HD11 LEU A 87 15.548 16.611 18.234 1.00 21.23 H new ATOM 0 HD12 LEU A 87 13.941 16.391 18.967 1.00 21.23 H new ATOM 0 HD13 LEU A 87 14.281 17.836 17.986 1.00 21.23 H new ATOM 0 HD21 LEU A 87 17.105 18.306 19.124 1.00 33.42 H new ATOM 0 HD22 LEU A 87 15.899 19.596 18.911 1.00 33.42 H new ATOM 0 HD23 LEU A 87 16.636 19.322 20.507 1.00 33.42 H new ATOM 1350 N ASP A 88 13.621 16.671 23.278 1.00 53.22 N ATOM 1351 CA ASP A 88 14.200 15.632 24.121 1.00 64.23 C ATOM 1352 C ASP A 88 13.489 14.299 23.907 1.00 12.44 C ATOM 1353 O ASP A 88 14.088 13.234 24.053 1.00 13.43 O ATOM 1354 CB ASP A 88 14.121 16.036 25.594 1.00 40.55 C ATOM 1355 CG ASP A 88 14.600 14.938 26.522 1.00 12.13 C ATOM 1356 OD1 ASP A 88 15.678 14.366 26.258 1.00 12.21 O ATOM 1357 OD2 ASP A 88 13.896 14.650 27.513 1.00 31.31 O ATOM 0 H ASP A 88 13.294 17.493 23.786 1.00 53.22 H new ATOM 0 HA ASP A 88 15.247 15.514 23.841 1.00 64.23 H new ATOM 0 HB2 ASP A 88 14.722 16.931 25.755 1.00 40.55 H new ATOM 0 HB3 ASP A 88 13.091 16.294 25.842 1.00 40.55 H new ATOM 1362 N ALA A 89 12.207 14.367 23.562 1.00 2.52 N ATOM 1363 CA ALA A 89 11.414 13.167 23.328 1.00 24.00 C ATOM 1364 C ALA A 89 11.834 12.475 22.036 1.00 43.35 C ATOM 1365 O ALA A 89 11.582 11.286 21.847 1.00 62.40 O ATOM 1366 CB ALA A 89 9.933 13.512 23.287 1.00 42.51 C ATOM 0 H ALA A 89 11.696 15.241 23.438 1.00 2.52 H new ATOM 0 HA ALA A 89 11.592 12.478 24.153 1.00 24.00 H new ATOM 0 HB1 ALA A 89 9.353 12.606 23.111 1.00 42.51 H new ATOM 0 HB2 ALA A 89 9.636 13.954 24.238 1.00 42.51 H new ATOM 0 HB3 ALA A 89 9.747 14.223 22.482 1.00 42.51 H new ATOM 1372 N ALA A 90 12.475 13.229 21.148 1.00 63.41 N ATOM 1373 CA ALA A 90 12.931 12.687 19.874 1.00 40.13 C ATOM 1374 C ALA A 90 13.794 11.447 20.081 1.00 5.44 C ATOM 1375 O ALA A 90 13.804 10.539 19.251 1.00 43.05 O ATOM 1376 CB ALA A 90 13.701 13.744 19.096 1.00 55.42 C ATOM 0 H ALA A 90 12.690 14.216 21.288 1.00 63.41 H new ATOM 0 HA ALA A 90 12.053 12.394 19.298 1.00 40.13 H new ATOM 0 HB1 ALA A 90 14.036 13.325 18.147 1.00 55.42 H new ATOM 0 HB2 ALA A 90 13.054 14.600 18.907 1.00 55.42 H new ATOM 0 HB3 ALA A 90 14.566 14.065 19.676 1.00 55.42 H new ATOM 1382 N VAL A 91 14.519 11.417 21.195 1.00 24.41 N ATOM 1383 CA VAL A 91 15.386 10.288 21.512 1.00 23.11 C ATOM 1384 C VAL A 91 14.614 9.186 22.229 1.00 51.21 C ATOM 1385 O VAL A 91 14.581 8.042 21.777 1.00 60.24 O ATOM 1386 CB VAL A 91 16.574 10.722 22.391 1.00 2.11 C ATOM 1387 CG1 VAL A 91 17.588 9.595 22.514 1.00 71.31 C ATOM 1388 CG2 VAL A 91 17.225 11.976 21.826 1.00 74.34 C ATOM 0 H VAL A 91 14.523 12.161 21.893 1.00 24.41 H new ATOM 0 HA VAL A 91 15.765 9.905 20.565 1.00 23.11 H new ATOM 0 HB VAL A 91 16.200 10.952 23.389 1.00 2.11 H new ATOM 0 HG11 VAL A 91 18.420 9.921 23.139 1.00 71.31 H new ATOM 0 HG12 VAL A 91 17.112 8.725 22.968 1.00 71.31 H new ATOM 0 HG13 VAL A 91 17.960 9.330 21.524 1.00 71.31 H new ATOM 0 HG21 VAL A 91 18.062 12.268 22.460 1.00 74.34 H new ATOM 0 HG22 VAL A 91 17.586 11.776 20.817 1.00 74.34 H new ATOM 0 HG23 VAL A 91 16.494 12.784 21.796 1.00 74.34 H new ATOM 1398 N SER A 92 13.993 9.539 23.350 1.00 53.54 N ATOM 1399 CA SER A 92 13.222 8.580 24.132 1.00 64.32 C ATOM 1400 C SER A 92 12.215 7.846 23.252 1.00 14.10 C ATOM 1401 O SER A 92 12.027 6.637 23.380 1.00 63.42 O ATOM 1402 CB SER A 92 12.496 9.289 25.277 1.00 61.44 C ATOM 1403 OG SER A 92 12.817 8.701 26.526 1.00 71.04 O ATOM 0 H SER A 92 14.009 10.483 23.737 1.00 53.54 H new ATOM 0 HA SER A 92 13.914 7.849 24.549 1.00 64.32 H new ATOM 0 HB2 SER A 92 12.769 10.344 25.287 1.00 61.44 H new ATOM 0 HB3 SER A 92 11.419 9.240 25.115 1.00 61.44 H new ATOM 0 HG SER A 92 12.342 9.173 27.242 1.00 71.04 H new ATOM 1409 N ALA A 93 11.568 8.588 22.359 1.00 42.13 N ATOM 1410 CA ALA A 93 10.581 8.009 21.456 1.00 50.31 C ATOM 1411 C ALA A 93 11.149 6.797 20.726 1.00 33.20 C ATOM 1412 O ALA A 93 10.490 5.763 20.614 1.00 73.12 O ATOM 1413 CB ALA A 93 10.103 9.053 20.457 1.00 2.02 C ATOM 0 H ALA A 93 11.710 9.591 22.242 1.00 42.13 H new ATOM 0 HA ALA A 93 9.731 7.676 22.052 1.00 50.31 H new ATOM 0 HB1 ALA A 93 9.366 8.607 19.789 1.00 2.02 H new ATOM 0 HB2 ALA A 93 9.650 9.888 20.992 1.00 2.02 H new ATOM 0 HB3 ALA A 93 10.950 9.413 19.874 1.00 2.02 H new ATOM 1419 N TYR A 94 12.374 6.931 20.231 1.00 61.40 N ATOM 1420 CA TYR A 94 13.029 5.847 19.509 1.00 62.53 C ATOM 1421 C TYR A 94 13.105 4.588 20.367 1.00 33.51 C ATOM 1422 O TYR A 94 12.824 3.485 19.897 1.00 45.54 O ATOM 1423 CB TYR A 94 14.435 6.269 19.078 1.00 31.22 C ATOM 1424 CG TYR A 94 14.448 7.230 17.912 1.00 54.55 C ATOM 1425 CD1 TYR A 94 13.669 6.997 16.785 1.00 42.13 C ATOM 1426 CD2 TYR A 94 15.238 8.373 17.937 1.00 54.32 C ATOM 1427 CE1 TYR A 94 13.678 7.873 15.716 1.00 24.33 C ATOM 1428 CE2 TYR A 94 15.252 9.255 16.874 1.00 50.35 C ATOM 1429 CZ TYR A 94 14.471 9.000 15.765 1.00 2.45 C ATOM 1430 OH TYR A 94 14.482 9.876 14.704 1.00 61.22 O ATOM 0 H TYR A 94 12.934 7.780 20.316 1.00 61.40 H new ATOM 0 HA TYR A 94 12.435 5.625 18.622 1.00 62.53 H new ATOM 0 HB2 TYR A 94 14.942 6.732 19.925 1.00 31.22 H new ATOM 0 HB3 TYR A 94 15.006 5.380 18.811 1.00 31.22 H new ATOM 0 HD1 TYR A 94 13.046 6.116 16.744 1.00 42.13 H new ATOM 0 HD2 TYR A 94 15.852 8.575 18.802 1.00 54.32 H new ATOM 0 HE1 TYR A 94 13.067 7.676 14.847 1.00 24.33 H new ATOM 0 HE2 TYR A 94 15.871 10.139 16.911 1.00 50.35 H new ATOM 0 HH TYR A 94 15.092 10.618 14.899 1.00 61.22 H new ATOM 1440 N GLN A 95 13.485 4.761 21.629 1.00 52.42 N ATOM 1441 CA GLN A 95 13.597 3.640 22.554 1.00 65.24 C ATOM 1442 C GLN A 95 12.222 3.076 22.896 1.00 63.04 C ATOM 1443 O GLN A 95 12.097 1.915 23.283 1.00 32.24 O ATOM 1444 CB GLN A 95 14.315 4.076 23.832 1.00 23.21 C ATOM 1445 CG GLN A 95 15.717 4.611 23.590 1.00 4.13 C ATOM 1446 CD GLN A 95 16.519 4.746 24.870 1.00 42.33 C ATOM 1447 OE1 GLN A 95 17.130 3.785 25.338 1.00 71.12 O ATOM 1448 NE2 GLN A 95 16.522 5.944 25.443 1.00 32.13 N ATOM 0 H GLN A 95 13.720 5.667 22.034 1.00 52.42 H new ATOM 0 HA GLN A 95 14.179 2.857 22.068 1.00 65.24 H new ATOM 0 HB2 GLN A 95 13.722 4.845 24.328 1.00 23.21 H new ATOM 0 HB3 GLN A 95 14.372 3.228 24.514 1.00 23.21 H new ATOM 0 HG2 GLN A 95 16.242 3.946 22.905 1.00 4.13 H new ATOM 0 HG3 GLN A 95 15.652 5.584 23.102 1.00 4.13 H new ATOM 0 HE21 GLN A 95 16.001 6.713 25.020 1.00 32.13 H new ATOM 0 HE22 GLN A 95 17.045 6.095 26.306 1.00 32.13 H new ATOM 1457 N GLN A 96 11.195 3.906 22.749 1.00 13.13 N ATOM 1458 CA GLN A 96 9.829 3.490 23.044 1.00 72.40 C ATOM 1459 C GLN A 96 9.193 2.814 21.834 1.00 74.22 C ATOM 1460 O GLN A 96 8.166 2.146 21.951 1.00 25.55 O ATOM 1461 CB GLN A 96 8.987 4.693 23.472 1.00 42.10 C ATOM 1462 CG GLN A 96 8.535 4.635 24.922 1.00 24.32 C ATOM 1463 CD GLN A 96 7.884 5.924 25.383 1.00 24.11 C ATOM 1464 OE1 GLN A 96 8.508 6.986 25.374 1.00 22.53 O ATOM 1465 NE2 GLN A 96 6.623 5.838 25.789 1.00 0.30 N ATOM 0 H GLN A 96 11.283 4.870 22.428 1.00 13.13 H new ATOM 0 HA GLN A 96 9.864 2.771 23.863 1.00 72.40 H new ATOM 0 HB2 GLN A 96 9.565 5.604 23.317 1.00 42.10 H new ATOM 0 HB3 GLN A 96 8.109 4.759 22.829 1.00 42.10 H new ATOM 0 HG2 GLN A 96 7.831 3.812 25.046 1.00 24.32 H new ATOM 0 HG3 GLN A 96 9.394 4.419 25.558 1.00 24.32 H new ATOM 0 HE21 GLN A 96 6.145 4.937 25.780 1.00 0.30 H new ATOM 0 HE22 GLN A 96 6.133 6.673 26.110 1.00 0.30 H new ATOM 1474 N GLY A 97 9.809 2.993 20.670 1.00 44.35 N ATOM 1475 CA GLY A 97 9.289 2.395 19.454 1.00 15.12 C ATOM 1476 C GLY A 97 8.875 3.432 18.429 1.00 62.14 C ATOM 1477 O GLY A 97 7.861 3.274 17.750 1.00 32.33 O ATOM 0 H GLY A 97 10.660 3.542 20.547 1.00 44.35 H new ATOM 0 HA2 GLY A 97 10.047 1.743 19.021 1.00 15.12 H new ATOM 0 HA3 GLY A 97 8.432 1.768 19.699 1.00 15.12 H new ATOM 1481 N ALA A 98 9.662 4.497 18.316 1.00 0.11 N ATOM 1482 CA ALA A 98 9.372 5.564 17.366 1.00 64.21 C ATOM 1483 C ALA A 98 9.944 5.243 15.989 1.00 31.41 C ATOM 1484 O ALA A 98 10.813 4.381 15.852 1.00 35.10 O ATOM 1485 CB ALA A 98 9.925 6.887 17.873 1.00 5.25 C ATOM 0 H ALA A 98 10.505 4.644 18.871 1.00 0.11 H new ATOM 0 HA ALA A 98 8.289 5.648 17.271 1.00 64.21 H new ATOM 0 HB1 ALA A 98 9.701 7.675 17.154 1.00 5.25 H new ATOM 0 HB2 ALA A 98 9.466 7.130 18.831 1.00 5.25 H new ATOM 0 HB3 ALA A 98 11.005 6.806 17.998 1.00 5.25 H new ATOM 1491 N PHE A 99 9.451 5.940 14.971 1.00 14.34 N ATOM 1492 CA PHE A 99 9.911 5.728 13.604 1.00 23.02 C ATOM 1493 C PHE A 99 10.948 6.776 13.211 1.00 41.03 C ATOM 1494 O PHE A 99 12.064 6.442 12.813 1.00 24.13 O ATOM 1495 CB PHE A 99 8.730 5.773 12.633 1.00 60.23 C ATOM 1496 CG PHE A 99 9.045 5.201 11.280 1.00 54.22 C ATOM 1497 CD1 PHE A 99 9.084 3.830 11.084 1.00 13.14 C ATOM 1498 CD2 PHE A 99 9.302 6.035 10.203 1.00 14.15 C ATOM 1499 CE1 PHE A 99 9.372 3.301 9.841 1.00 65.33 C ATOM 1500 CE2 PHE A 99 9.590 5.512 8.957 1.00 24.55 C ATOM 1501 CZ PHE A 99 9.627 4.143 8.776 1.00 22.31 C ATOM 0 H PHE A 99 8.732 6.657 15.067 1.00 14.34 H new ATOM 0 HA PHE A 99 10.377 4.744 13.552 1.00 23.02 H new ATOM 0 HB2 PHE A 99 7.893 5.224 13.065 1.00 60.23 H new ATOM 0 HB3 PHE A 99 8.406 6.807 12.515 1.00 60.23 H new ATOM 0 HD1 PHE A 99 8.887 3.167 11.913 1.00 13.14 H new ATOM 0 HD2 PHE A 99 9.277 7.106 10.339 1.00 14.15 H new ATOM 0 HE1 PHE A 99 9.398 2.230 9.702 1.00 65.33 H new ATOM 0 HE2 PHE A 99 9.786 6.173 8.125 1.00 24.55 H new ATOM 0 HZ PHE A 99 9.855 3.732 7.804 1.00 22.31 H new ATOM 1511 N ASP A 100 10.570 8.045 13.324 1.00 62.44 N ATOM 1512 CA ASP A 100 11.466 9.143 12.980 1.00 23.35 C ATOM 1513 C ASP A 100 10.943 10.465 13.533 1.00 35.53 C ATOM 1514 O ASP A 100 9.860 10.519 14.117 1.00 54.54 O ATOM 1515 CB ASP A 100 11.631 9.240 11.463 1.00 71.30 C ATOM 1516 CG ASP A 100 13.057 9.551 11.054 1.00 1.30 C ATOM 1517 OD1 ASP A 100 13.825 10.041 11.908 1.00 22.10 O ATOM 1518 OD2 ASP A 100 13.405 9.306 9.880 1.00 50.33 O ATOM 0 H ASP A 100 9.649 8.338 13.651 1.00 62.44 H new ATOM 0 HA ASP A 100 12.438 8.940 13.430 1.00 23.35 H new ATOM 0 HB2 ASP A 100 11.322 8.300 11.006 1.00 71.30 H new ATOM 0 HB3 ASP A 100 10.968 10.015 11.077 1.00 71.30 H new ATOM 1523 N TYR A 101 11.718 11.527 13.347 1.00 62.41 N ATOM 1524 CA TYR A 101 11.334 12.848 13.830 1.00 63.40 C ATOM 1525 C TYR A 101 11.183 13.829 12.671 1.00 21.34 C ATOM 1526 O TYR A 101 12.163 14.198 12.023 1.00 1.52 O ATOM 1527 CB TYR A 101 12.372 13.371 14.824 1.00 11.53 C ATOM 1528 CG TYR A 101 11.946 14.637 15.533 1.00 1.33 C ATOM 1529 CD1 TYR A 101 10.780 14.675 16.287 1.00 14.45 C ATOM 1530 CD2 TYR A 101 12.709 15.795 15.448 1.00 2.13 C ATOM 1531 CE1 TYR A 101 10.386 15.830 16.936 1.00 21.35 C ATOM 1532 CE2 TYR A 101 12.324 16.953 16.095 1.00 2.41 C ATOM 1533 CZ TYR A 101 11.162 16.966 16.838 1.00 71.23 C ATOM 1534 OH TYR A 101 10.774 18.118 17.482 1.00 2.13 O ATOM 0 H TYR A 101 12.616 11.499 12.865 1.00 62.41 H new ATOM 0 HA TYR A 101 10.371 12.758 14.333 1.00 63.40 H new ATOM 0 HB2 TYR A 101 12.573 12.599 15.566 1.00 11.53 H new ATOM 0 HB3 TYR A 101 13.307 13.557 14.296 1.00 11.53 H new ATOM 0 HD1 TYR A 101 10.171 13.787 16.368 1.00 14.45 H new ATOM 0 HD2 TYR A 101 13.619 15.790 14.866 1.00 2.13 H new ATOM 0 HE1 TYR A 101 9.475 15.843 17.517 1.00 21.35 H new ATOM 0 HE2 TYR A 101 12.930 17.844 16.019 1.00 2.41 H new ATOM 0 HH TYR A 101 10.642 18.832 16.824 1.00 2.13 H new ATOM 1544 N LEU A 102 9.948 14.247 12.417 1.00 43.13 N ATOM 1545 CA LEU A 102 9.666 15.186 11.337 1.00 43.42 C ATOM 1546 C LEU A 102 9.228 16.538 11.891 1.00 2.23 C ATOM 1547 O LEU A 102 8.041 16.863 11.938 1.00 25.51 O ATOM 1548 CB LEU A 102 8.582 14.625 10.416 1.00 72.52 C ATOM 1549 CG LEU A 102 8.432 15.312 9.058 1.00 31.21 C ATOM 1550 CD1 LEU A 102 9.673 15.090 8.208 1.00 40.13 C ATOM 1551 CD2 LEU A 102 7.192 14.804 8.337 1.00 14.04 C ATOM 0 H LEU A 102 9.126 13.951 12.944 1.00 43.13 H new ATOM 0 HA LEU A 102 10.583 15.328 10.765 1.00 43.42 H new ATOM 0 HB2 LEU A 102 8.790 13.569 10.245 1.00 72.52 H new ATOM 0 HB3 LEU A 102 7.626 14.682 10.937 1.00 72.52 H new ATOM 0 HG LEU A 102 8.317 16.383 9.225 1.00 31.21 H new ATOM 0 HD11 LEU A 102 9.548 15.586 7.245 1.00 40.13 H new ATOM 0 HD12 LEU A 102 10.543 15.503 8.719 1.00 40.13 H new ATOM 0 HD13 LEU A 102 9.819 14.022 8.049 1.00 40.13 H new ATOM 0 HD21 LEU A 102 7.101 15.304 7.373 1.00 14.04 H new ATOM 0 HD22 LEU A 102 7.276 13.728 8.182 1.00 14.04 H new ATOM 0 HD23 LEU A 102 6.309 15.015 8.940 1.00 14.04 H new ATOM 1563 N PRO A 103 10.208 17.348 12.320 1.00 31.21 N ATOM 1564 CA PRO A 103 9.948 18.679 12.876 1.00 22.15 C ATOM 1565 C PRO A 103 9.463 19.665 11.819 1.00 31.40 C ATOM 1566 O PRO A 103 9.904 19.626 10.670 1.00 4.54 O ATOM 1567 CB PRO A 103 11.313 19.108 13.421 1.00 12.03 C ATOM 1568 CG PRO A 103 12.302 18.341 12.613 1.00 34.34 C ATOM 1569 CD PRO A 103 11.645 17.026 12.294 1.00 13.23 C ATOM 0 HA PRO A 103 9.160 18.659 13.628 1.00 22.15 H new ATOM 0 HB2 PRO A 103 11.462 20.182 13.314 1.00 12.03 H new ATOM 0 HB3 PRO A 103 11.406 18.878 14.482 1.00 12.03 H new ATOM 0 HG2 PRO A 103 12.562 18.879 11.701 1.00 34.34 H new ATOM 0 HG3 PRO A 103 13.227 18.190 13.169 1.00 34.34 H new ATOM 0 HD2 PRO A 103 11.955 16.648 11.320 1.00 13.23 H new ATOM 0 HD3 PRO A 103 11.899 16.261 13.028 1.00 13.23 H new ATOM 1577 N LYS A 104 8.552 20.547 12.214 1.00 52.53 N ATOM 1578 CA LYS A 104 8.007 21.545 11.301 1.00 51.41 C ATOM 1579 C LYS A 104 8.663 22.904 11.525 1.00 23.12 C ATOM 1580 O LYS A 104 9.143 23.216 12.615 1.00 23.12 O ATOM 1581 CB LYS A 104 6.492 21.662 11.485 1.00 2.35 C ATOM 1582 CG LYS A 104 6.089 22.414 12.742 1.00 12.11 C ATOM 1583 CD LYS A 104 5.104 21.614 13.578 1.00 10.34 C ATOM 1584 CE LYS A 104 4.094 22.519 14.268 1.00 44.43 C ATOM 1585 NZ LYS A 104 4.715 23.303 15.371 1.00 0.51 N ATOM 0 H LYS A 104 8.175 20.591 13.161 1.00 52.53 H new ATOM 0 HA LYS A 104 8.219 21.222 10.282 1.00 51.41 H new ATOM 0 HB2 LYS A 104 6.067 22.167 10.618 1.00 2.35 H new ATOM 0 HB3 LYS A 104 6.060 20.662 11.515 1.00 2.35 H new ATOM 0 HG2 LYS A 104 6.976 22.635 13.335 1.00 12.11 H new ATOM 0 HG3 LYS A 104 5.643 23.370 12.468 1.00 12.11 H new ATOM 0 HD2 LYS A 104 4.580 20.901 12.941 1.00 10.34 H new ATOM 0 HD3 LYS A 104 5.646 21.035 14.326 1.00 10.34 H new ATOM 0 HE2 LYS A 104 3.659 23.201 13.538 1.00 44.43 H new ATOM 0 HE3 LYS A 104 3.278 21.916 14.666 1.00 44.43 H new ATOM 0 HZ1 LYS A 104 3.995 23.907 15.816 1.00 0.51 H new ATOM 0 HZ2 LYS A 104 5.108 22.652 16.081 1.00 0.51 H new ATOM 0 HZ3 LYS A 104 5.477 23.898 14.988 1.00 0.51 H new ATOM 1599 N PRO A 105 8.685 23.733 10.471 1.00 12.01 N ATOM 1600 CA PRO A 105 8.117 23.372 9.169 1.00 41.35 C ATOM 1601 C PRO A 105 8.930 22.293 8.461 1.00 52.52 C ATOM 1602 O PRO A 105 10.160 22.329 8.461 1.00 25.32 O ATOM 1603 CB PRO A 105 8.171 24.685 8.382 1.00 21.44 C ATOM 1604 CG PRO A 105 9.277 25.458 9.013 1.00 42.45 C ATOM 1605 CD PRO A 105 9.265 25.086 10.469 1.00 3.34 C ATOM 0 HA PRO A 105 7.114 22.956 9.263 1.00 41.35 H new ATOM 0 HB2 PRO A 105 8.366 24.505 7.325 1.00 21.44 H new ATOM 0 HB3 PRO A 105 7.225 25.224 8.445 1.00 21.44 H new ATOM 0 HG2 PRO A 105 10.235 25.212 8.555 1.00 42.45 H new ATOM 0 HG3 PRO A 105 9.127 26.530 8.883 1.00 42.45 H new ATOM 0 HD2 PRO A 105 10.269 25.093 10.894 1.00 3.34 H new ATOM 0 HD3 PRO A 105 8.665 25.781 11.056 1.00 3.34 H new ATOM 1613 N PHE A 106 8.234 21.336 7.857 1.00 20.52 N ATOM 1614 CA PHE A 106 8.892 20.246 7.146 1.00 74.33 C ATOM 1615 C PHE A 106 8.493 20.239 5.673 1.00 50.12 C ATOM 1616 O PHE A 106 7.475 20.817 5.292 1.00 50.05 O ATOM 1617 CB PHE A 106 8.538 18.903 7.787 1.00 31.55 C ATOM 1618 CG PHE A 106 7.137 18.448 7.493 1.00 61.34 C ATOM 1619 CD1 PHE A 106 6.861 17.700 6.359 1.00 45.20 C ATOM 1620 CD2 PHE A 106 6.096 18.767 8.349 1.00 1.23 C ATOM 1621 CE1 PHE A 106 5.573 17.281 6.085 1.00 3.21 C ATOM 1622 CE2 PHE A 106 4.806 18.351 8.081 1.00 72.42 C ATOM 1623 CZ PHE A 106 4.544 17.606 6.948 1.00 64.34 C ATOM 0 H PHE A 106 7.215 21.293 7.846 1.00 20.52 H new ATOM 0 HA PHE A 106 9.969 20.400 7.213 1.00 74.33 H new ATOM 0 HB2 PHE A 106 9.239 18.146 7.435 1.00 31.55 H new ATOM 0 HB3 PHE A 106 8.667 18.980 8.867 1.00 31.55 H new ATOM 0 HD1 PHE A 106 7.662 17.442 5.682 1.00 45.20 H new ATOM 0 HD2 PHE A 106 6.295 19.348 9.237 1.00 1.23 H new ATOM 0 HE1 PHE A 106 5.371 16.700 5.197 1.00 3.21 H new ATOM 0 HE2 PHE A 106 4.004 18.608 8.757 1.00 72.42 H new ATOM 0 HZ PHE A 106 3.537 17.278 6.737 1.00 64.34 H new ATOM 1633 N ASP A 107 9.303 19.582 4.850 1.00 32.10 N ATOM 1634 CA ASP A 107 9.036 19.499 3.419 1.00 75.22 C ATOM 1635 C ASP A 107 8.192 18.270 3.094 1.00 71.00 C ATOM 1636 O ASP A 107 8.662 17.137 3.201 1.00 34.24 O ATOM 1637 CB ASP A 107 10.348 19.453 2.635 1.00 1.40 C ATOM 1638 CG ASP A 107 10.206 20.017 1.235 1.00 41.02 C ATOM 1639 OD1 ASP A 107 9.070 20.357 0.845 1.00 73.31 O ATOM 1640 OD2 ASP A 107 11.231 20.118 0.529 1.00 64.34 O ATOM 0 H ASP A 107 10.150 19.099 5.150 1.00 32.10 H new ATOM 0 HA ASP A 107 8.478 20.389 3.127 1.00 75.22 H new ATOM 0 HB2 ASP A 107 11.110 20.015 3.174 1.00 1.40 H new ATOM 0 HB3 ASP A 107 10.696 18.422 2.575 1.00 1.40 H new ATOM 1645 N ILE A 108 6.945 18.503 2.698 1.00 62.52 N ATOM 1646 CA ILE A 108 6.037 17.415 2.358 1.00 72.54 C ATOM 1647 C ILE A 108 6.676 16.456 1.358 1.00 4.54 C ATOM 1648 O ILE A 108 6.326 15.278 1.302 1.00 61.44 O ATOM 1649 CB ILE A 108 4.717 17.946 1.769 1.00 52.51 C ATOM 1650 CG1 ILE A 108 4.949 18.509 0.365 1.00 21.01 C ATOM 1651 CG2 ILE A 108 4.121 19.010 2.680 1.00 62.34 C ATOM 1652 CD1 ILE A 108 5.777 19.775 0.351 1.00 60.12 C ATOM 0 H ILE A 108 6.541 19.435 2.605 1.00 62.52 H new ATOM 0 HA ILE A 108 5.824 16.882 3.285 1.00 72.54 H new ATOM 0 HB ILE A 108 4.010 17.119 1.696 1.00 52.51 H new ATOM 0 HG12 ILE A 108 5.445 17.753 -0.243 1.00 21.01 H new ATOM 0 HG13 ILE A 108 3.984 18.710 -0.101 1.00 21.01 H new ATOM 0 HG21 ILE A 108 3.188 19.376 2.251 1.00 62.34 H new ATOM 0 HG22 ILE A 108 3.924 18.580 3.662 1.00 62.34 H new ATOM 0 HG23 ILE A 108 4.823 19.838 2.781 1.00 62.34 H new ATOM 0 HD11 ILE A 108 5.901 20.117 -0.676 1.00 60.12 H new ATOM 0 HD12 ILE A 108 5.272 20.547 0.932 1.00 60.12 H new ATOM 0 HD13 ILE A 108 6.756 19.575 0.787 1.00 60.12 H new ATOM 1664 N ASP A 109 7.617 16.970 0.573 1.00 11.35 N ATOM 1665 CA ASP A 109 8.309 16.160 -0.422 1.00 75.23 C ATOM 1666 C ASP A 109 8.989 14.961 0.231 1.00 61.25 C ATOM 1667 O ASP A 109 9.024 13.870 -0.338 1.00 43.11 O ATOM 1668 CB ASP A 109 9.342 17.004 -1.170 1.00 11.13 C ATOM 1669 CG ASP A 109 9.678 16.434 -2.533 1.00 64.25 C ATOM 1670 OD1 ASP A 109 8.739 16.118 -3.293 1.00 54.12 O ATOM 1671 OD2 ASP A 109 10.881 16.304 -2.841 1.00 44.15 O ATOM 0 H ASP A 109 7.918 17.944 0.607 1.00 11.35 H new ATOM 0 HA ASP A 109 7.569 15.792 -1.133 1.00 75.23 H new ATOM 0 HB2 ASP A 109 8.961 18.019 -1.288 1.00 11.13 H new ATOM 0 HB3 ASP A 109 10.252 17.072 -0.574 1.00 11.13 H new ATOM 1676 N GLU A 110 9.529 15.172 1.427 1.00 42.02 N ATOM 1677 CA GLU A 110 10.210 14.108 2.155 1.00 5.32 C ATOM 1678 C GLU A 110 9.220 13.295 2.983 1.00 33.21 C ATOM 1679 O GLU A 110 9.476 12.138 3.317 1.00 52.42 O ATOM 1680 CB GLU A 110 11.292 14.695 3.065 1.00 32.43 C ATOM 1681 CG GLU A 110 12.179 13.644 3.712 1.00 73.22 C ATOM 1682 CD GLU A 110 13.150 13.017 2.731 1.00 62.31 C ATOM 1683 OE1 GLU A 110 14.179 13.655 2.426 1.00 44.21 O ATOM 1684 OE2 GLU A 110 12.882 11.888 2.268 1.00 12.42 O ATOM 0 H GLU A 110 9.508 16.069 1.912 1.00 42.02 H new ATOM 0 HA GLU A 110 10.677 13.445 1.426 1.00 5.32 H new ATOM 0 HB2 GLU A 110 11.914 15.375 2.484 1.00 32.43 H new ATOM 0 HB3 GLU A 110 10.816 15.287 3.846 1.00 32.43 H new ATOM 0 HG2 GLU A 110 12.738 14.099 4.530 1.00 73.22 H new ATOM 0 HG3 GLU A 110 11.554 12.864 4.148 1.00 73.22 H new ATOM 1691 N ALA A 111 8.088 13.909 3.311 1.00 34.22 N ATOM 1692 CA ALA A 111 7.058 13.242 4.098 1.00 14.34 C ATOM 1693 C ALA A 111 6.276 12.246 3.249 1.00 61.12 C ATOM 1694 O ALA A 111 5.968 11.141 3.696 1.00 64.24 O ATOM 1695 CB ALA A 111 6.116 14.268 4.712 1.00 21.02 C ATOM 0 H ALA A 111 7.861 14.867 3.044 1.00 34.22 H new ATOM 0 HA ALA A 111 7.549 12.689 4.899 1.00 14.34 H new ATOM 0 HB1 ALA A 111 5.352 13.756 5.297 1.00 21.02 H new ATOM 0 HB2 ALA A 111 6.681 14.938 5.360 1.00 21.02 H new ATOM 0 HB3 ALA A 111 5.640 14.845 3.919 1.00 21.02 H new ATOM 1701 N VAL A 112 5.957 12.644 2.021 1.00 1.03 N ATOM 1702 CA VAL A 112 5.211 11.785 1.109 1.00 45.52 C ATOM 1703 C VAL A 112 5.847 10.403 1.012 1.00 42.23 C ATOM 1704 O VAL A 112 5.150 9.392 0.938 1.00 30.13 O ATOM 1705 CB VAL A 112 5.130 12.401 -0.301 1.00 1.13 C ATOM 1706 CG1 VAL A 112 4.453 11.440 -1.265 1.00 74.23 C ATOM 1707 CG2 VAL A 112 4.396 13.733 -0.258 1.00 71.34 C ATOM 0 H VAL A 112 6.204 13.555 1.635 1.00 1.03 H new ATOM 0 HA VAL A 112 4.204 11.690 1.515 1.00 45.52 H new ATOM 0 HB VAL A 112 6.143 12.582 -0.659 1.00 1.13 H new ATOM 0 HG11 VAL A 112 4.405 11.892 -2.256 1.00 74.23 H new ATOM 0 HG12 VAL A 112 5.025 10.513 -1.316 1.00 74.23 H new ATOM 0 HG13 VAL A 112 3.443 11.225 -0.915 1.00 74.23 H new ATOM 0 HG21 VAL A 112 4.348 14.154 -1.262 1.00 71.34 H new ATOM 0 HG22 VAL A 112 3.385 13.579 0.120 1.00 71.34 H new ATOM 0 HG23 VAL A 112 4.928 14.421 0.399 1.00 71.34 H new ATOM 1717 N ALA A 113 7.176 10.368 1.013 1.00 72.45 N ATOM 1718 CA ALA A 113 7.906 9.109 0.927 1.00 3.22 C ATOM 1719 C ALA A 113 8.055 8.467 2.302 1.00 21.50 C ATOM 1720 O ALA A 113 8.169 7.246 2.419 1.00 71.40 O ATOM 1721 CB ALA A 113 9.273 9.334 0.297 1.00 73.12 C ATOM 0 H ALA A 113 7.768 11.196 1.072 1.00 72.45 H new ATOM 0 HA ALA A 113 7.335 8.428 0.296 1.00 3.22 H new ATOM 0 HB1 ALA A 113 9.807 8.386 0.239 1.00 73.12 H new ATOM 0 HB2 ALA A 113 9.149 9.742 -0.706 1.00 73.12 H new ATOM 0 HB3 ALA A 113 9.843 10.035 0.906 1.00 73.12 H new ATOM 1727 N LEU A 114 8.054 9.295 3.340 1.00 3.14 N ATOM 1728 CA LEU A 114 8.190 8.807 4.709 1.00 51.45 C ATOM 1729 C LEU A 114 6.891 8.170 5.191 1.00 72.44 C ATOM 1730 O LEU A 114 6.894 7.342 6.102 1.00 61.55 O ATOM 1731 CB LEU A 114 8.586 9.952 5.642 1.00 4.41 C ATOM 1732 CG LEU A 114 8.422 9.686 7.139 1.00 70.32 C ATOM 1733 CD1 LEU A 114 9.513 8.751 7.638 1.00 42.25 C ATOM 1734 CD2 LEU A 114 8.439 10.992 7.918 1.00 11.53 C ATOM 0 H LEU A 114 7.961 10.308 3.261 1.00 3.14 H new ATOM 0 HA LEU A 114 8.972 8.048 4.722 1.00 51.45 H new ATOM 0 HB2 LEU A 114 9.629 10.206 5.451 1.00 4.41 H new ATOM 0 HB3 LEU A 114 7.992 10.828 5.382 1.00 4.41 H new ATOM 0 HG LEU A 114 7.458 9.204 7.299 1.00 70.32 H new ATOM 0 HD11 LEU A 114 9.380 8.573 8.705 1.00 42.25 H new ATOM 0 HD12 LEU A 114 9.453 7.804 7.102 1.00 42.25 H new ATOM 0 HD13 LEU A 114 10.489 9.205 7.465 1.00 42.25 H new ATOM 0 HD21 LEU A 114 8.321 10.783 8.981 1.00 11.53 H new ATOM 0 HD22 LEU A 114 9.388 11.503 7.752 1.00 11.53 H new ATOM 0 HD23 LEU A 114 7.621 11.628 7.580 1.00 11.53 H new ATOM 1746 N VAL A 115 5.781 8.560 4.572 1.00 71.53 N ATOM 1747 CA VAL A 115 4.474 8.024 4.935 1.00 25.30 C ATOM 1748 C VAL A 115 4.411 6.520 4.695 1.00 63.42 C ATOM 1749 O VAL A 115 3.917 5.768 5.534 1.00 73.20 O ATOM 1750 CB VAL A 115 3.346 8.707 4.140 1.00 45.42 C ATOM 1751 CG1 VAL A 115 2.007 8.052 4.441 1.00 3.25 C ATOM 1752 CG2 VAL A 115 3.303 10.196 4.450 1.00 0.01 C ATOM 0 H VAL A 115 5.761 9.245 3.817 1.00 71.53 H new ATOM 0 HA VAL A 115 4.333 8.226 5.997 1.00 25.30 H new ATOM 0 HB VAL A 115 3.550 8.586 3.076 1.00 45.42 H new ATOM 0 HG11 VAL A 115 1.223 8.549 3.870 1.00 3.25 H new ATOM 0 HG12 VAL A 115 2.047 6.999 4.163 1.00 3.25 H new ATOM 0 HG13 VAL A 115 1.791 8.139 5.506 1.00 3.25 H new ATOM 0 HG21 VAL A 115 2.500 10.663 3.880 1.00 0.01 H new ATOM 0 HG22 VAL A 115 3.123 10.341 5.515 1.00 0.01 H new ATOM 0 HG23 VAL A 115 4.255 10.652 4.177 1.00 0.01 H new ATOM 1762 N GLU A 116 4.916 6.088 3.543 1.00 21.02 N ATOM 1763 CA GLU A 116 4.916 4.673 3.193 1.00 63.53 C ATOM 1764 C GLU A 116 6.110 3.957 3.819 1.00 41.23 C ATOM 1765 O GLU A 116 6.108 2.735 3.965 1.00 33.14 O ATOM 1766 CB GLU A 116 4.945 4.501 1.673 1.00 74.35 C ATOM 1767 CG GLU A 116 4.005 5.441 0.936 1.00 30.32 C ATOM 1768 CD GLU A 116 3.256 4.753 -0.189 1.00 13.42 C ATOM 1769 OE1 GLU A 116 3.772 3.745 -0.715 1.00 54.11 O ATOM 1770 OE2 GLU A 116 2.154 5.223 -0.543 1.00 45.40 O ATOM 0 H GLU A 116 5.330 6.697 2.837 1.00 21.02 H new ATOM 0 HA GLU A 116 4.001 4.228 3.585 1.00 63.53 H new ATOM 0 HB2 GLU A 116 5.962 4.665 1.317 1.00 74.35 H new ATOM 0 HB3 GLU A 116 4.683 3.472 1.427 1.00 74.35 H new ATOM 0 HG2 GLU A 116 3.288 5.859 1.642 1.00 30.32 H new ATOM 0 HG3 GLU A 116 4.576 6.276 0.530 1.00 30.32 H new ATOM 1777 N ARG A 117 7.129 4.728 4.185 1.00 12.21 N ATOM 1778 CA ARG A 117 8.330 4.169 4.793 1.00 30.03 C ATOM 1779 C ARG A 117 7.970 3.205 5.920 1.00 4.13 C ATOM 1780 O ARG A 117 8.533 2.115 6.021 1.00 12.22 O ATOM 1781 CB ARG A 117 9.224 5.288 5.331 1.00 54.32 C ATOM 1782 CG ARG A 117 10.507 5.476 4.539 1.00 43.01 C ATOM 1783 CD ARG A 117 11.725 5.498 5.449 1.00 2.22 C ATOM 1784 NE ARG A 117 12.086 4.161 5.913 1.00 10.34 N ATOM 1785 CZ ARG A 117 13.281 3.851 6.404 1.00 12.33 C ATOM 1786 NH1 ARG A 117 14.225 4.778 6.495 1.00 73.12 N ATOM 1787 NH2 ARG A 117 13.533 2.612 6.806 1.00 1.23 N ATOM 0 H ARG A 117 7.147 5.741 4.071 1.00 12.21 H new ATOM 0 HA ARG A 117 8.873 3.618 4.025 1.00 30.03 H new ATOM 0 HB2 ARG A 117 8.664 6.223 5.326 1.00 54.32 H new ATOM 0 HB3 ARG A 117 9.476 5.073 6.369 1.00 54.32 H new ATOM 0 HG2 ARG A 117 10.609 4.670 3.812 1.00 43.01 H new ATOM 0 HG3 ARG A 117 10.455 6.408 3.976 1.00 43.01 H new ATOM 0 HD2 ARG A 117 12.568 5.936 4.915 1.00 2.22 H new ATOM 0 HD3 ARG A 117 11.524 6.138 6.308 1.00 2.22 H new ATOM 0 HE ARG A 117 11.382 3.425 5.857 1.00 10.34 H new ATOM 0 HH11 ARG A 117 14.035 5.732 6.188 1.00 73.12 H new ATOM 0 HH12 ARG A 117 15.142 4.537 6.872 1.00 73.12 H new ATOM 0 HH21 ARG A 117 12.809 1.897 6.738 1.00 1.23 H new ATOM 0 HH22 ARG A 117 14.451 2.375 7.183 1.00 1.23 H new ATOM 1801 N ALA A 118 7.030 3.615 6.766 1.00 44.45 N ATOM 1802 CA ALA A 118 6.595 2.788 7.884 1.00 50.21 C ATOM 1803 C ALA A 118 5.525 1.794 7.447 1.00 34.31 C ATOM 1804 O ALA A 118 5.558 0.624 7.830 1.00 33.03 O ATOM 1805 CB ALA A 118 6.076 3.662 9.016 1.00 53.21 C ATOM 0 H ALA A 118 6.555 4.515 6.698 1.00 44.45 H new ATOM 0 HA ALA A 118 7.455 2.222 8.242 1.00 50.21 H new ATOM 0 HB1 ALA A 118 5.754 3.031 9.845 1.00 53.21 H new ATOM 0 HB2 ALA A 118 6.869 4.329 9.354 1.00 53.21 H new ATOM 0 HB3 ALA A 118 5.232 4.253 8.661 1.00 53.21 H new ATOM 1811 N ILE A 119 4.577 2.266 6.645 1.00 51.24 N ATOM 1812 CA ILE A 119 3.497 1.418 6.156 1.00 22.50 C ATOM 1813 C ILE A 119 4.044 0.150 5.508 1.00 45.43 C ATOM 1814 O ILE A 119 3.453 -0.923 5.623 1.00 63.13 O ATOM 1815 CB ILE A 119 2.613 2.161 5.137 1.00 4.35 C ATOM 1816 CG1 ILE A 119 2.026 3.426 5.767 1.00 52.10 C ATOM 1817 CG2 ILE A 119 1.505 1.250 4.633 1.00 34.21 C ATOM 1818 CD1 ILE A 119 1.479 4.407 4.754 1.00 51.21 C ATOM 0 H ILE A 119 4.535 3.232 6.320 1.00 51.24 H new ATOM 0 HA ILE A 119 2.891 1.149 7.022 1.00 22.50 H new ATOM 0 HB ILE A 119 3.230 2.453 4.287 1.00 4.35 H new ATOM 0 HG12 ILE A 119 1.229 3.144 6.454 1.00 52.10 H new ATOM 0 HG13 ILE A 119 2.797 3.919 6.359 1.00 52.10 H new ATOM 0 HG21 ILE A 119 0.889 1.790 3.914 1.00 34.21 H new ATOM 0 HG22 ILE A 119 1.943 0.376 4.151 1.00 34.21 H new ATOM 0 HG23 ILE A 119 0.887 0.930 5.472 1.00 34.21 H new ATOM 0 HD11 ILE A 119 1.079 5.279 5.271 1.00 51.21 H new ATOM 0 HD12 ILE A 119 2.278 4.719 4.081 1.00 51.21 H new ATOM 0 HD13 ILE A 119 0.685 3.931 4.179 1.00 51.21 H new ATOM 1830 N SER A 120 5.179 0.283 4.827 1.00 34.22 N ATOM 1831 CA SER A 120 5.806 -0.851 4.158 1.00 35.24 C ATOM 1832 C SER A 120 6.336 -1.857 5.176 1.00 41.40 C ATOM 1833 O SER A 120 6.373 -3.060 4.916 1.00 3.31 O ATOM 1834 CB SER A 120 6.944 -0.372 3.256 1.00 24.31 C ATOM 1835 OG SER A 120 7.178 -1.288 2.200 1.00 53.21 O ATOM 0 H SER A 120 5.682 1.164 4.724 1.00 34.22 H new ATOM 0 HA SER A 120 5.051 -1.344 3.546 1.00 35.24 H new ATOM 0 HB2 SER A 120 6.699 0.607 2.845 1.00 24.31 H new ATOM 0 HB3 SER A 120 7.853 -0.251 3.845 1.00 24.31 H new ATOM 0 HG SER A 120 7.909 -0.958 1.637 1.00 53.21 H new ATOM 1841 N HIS A 121 6.746 -1.354 6.336 1.00 23.23 N ATOM 1842 CA HIS A 121 7.275 -2.207 7.395 1.00 72.43 C ATOM 1843 C HIS A 121 6.285 -3.314 7.745 1.00 22.51 C ATOM 1844 O HIS A 121 6.677 -4.390 8.199 1.00 72.13 O ATOM 1845 CB HIS A 121 7.590 -1.377 8.639 1.00 40.51 C ATOM 1846 CG HIS A 121 8.402 -2.112 9.660 1.00 1.23 C ATOM 1847 ND1 HIS A 121 9.681 -2.567 9.419 1.00 20.31 N ATOM 1848 CD2 HIS A 121 8.111 -2.469 10.933 1.00 11.31 C ATOM 1849 CE1 HIS A 121 10.141 -3.174 10.499 1.00 72.13 C ATOM 1850 NE2 HIS A 121 9.207 -3.128 11.432 1.00 4.42 N ATOM 0 H HIS A 121 6.722 -0.361 6.567 1.00 23.23 H new ATOM 0 HA HIS A 121 8.195 -2.666 7.032 1.00 72.43 H new ATOM 0 HB2 HIS A 121 8.127 -0.477 8.339 1.00 40.51 H new ATOM 0 HB3 HIS A 121 6.655 -1.053 9.096 1.00 40.51 H new ATOM 0 HD2 HIS A 121 7.188 -2.272 11.458 1.00 11.31 H new ATOM 0 HE1 HIS A 121 11.115 -3.630 10.601 1.00 72.13 H new ATOM 0 HE2 HIS A 121 9.287 -3.519 12.371 1.00 4.42 H new