USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot 61:sc= 0.854 USER MOD Set 1.2: A 67 SER OG : rot -134:sc= 2.02 USER MOD Single : A 11 SER OG : rot 87:sc= 1.31 USER MOD Single : A 16 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 17 MET CE :methyl -116:sc= -0.0203 (180deg=-0.468) USER MOD Single : A 18 HIS : no HE2:sc= 0.387 K(o=0.39,f=-8.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -115:sc= -0.492 (180deg=-1.31) USER MOD Single : A 31 THR OG1 : rot -19:sc= 0.924 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -0.283 (180deg=-2.55!) USER MOD Single : A 38 MET CE :methyl -133:sc= -3.99 (180deg=-9.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.933 K(o=0.93,f=-7.5!) USER MOD Single : A 51 GLN : amide:sc= -3.55! C(o=-3.6!,f=-4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 66 HIS : no HE2:sc= -1.9! C(o=-1.9!,f=-9.2!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -5.82! C(o=-7.6!,f=-5.8!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.75) USER MOD Single : A 76 SER OG : rot -70:sc= 1.22 USER MOD Single : A 78 TYR OH : rot 24:sc= 0.997 USER MOD Single : A 80 TYR OH : rot 156:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 8.127 -6.771 0.600 1.00 70.34 N ATOM 66 CA ASP A 5 9.293 -7.541 0.997 1.00 52.01 C ATOM 67 C ASP A 5 8.840 -8.957 1.258 1.00 14.04 C ATOM 68 O ASP A 5 7.658 -9.271 1.073 1.00 34.30 O ATOM 69 CB ASP A 5 9.922 -6.958 2.271 1.00 72.04 C ATOM 70 CG ASP A 5 10.722 -5.709 1.952 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.230 -4.878 1.222 1.00 63.22 O ATOM 72 OD2 ASP A 5 11.811 -5.583 2.462 1.00 71.24 O ATOM 0 HA ASP A 5 10.044 -7.510 0.207 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.140 -6.721 2.992 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.569 -7.702 2.736 1.00 72.04 H new ATOM 77 N ILE A 6 9.730 -9.796 1.720 1.00 61.21 N ATOM 78 CA ILE A 6 9.361 -11.155 2.039 1.00 73.32 C ATOM 79 C ILE A 6 9.779 -11.514 3.450 1.00 11.45 C ATOM 80 O ILE A 6 10.697 -10.906 4.017 1.00 13.11 O ATOM 81 CB ILE A 6 9.962 -12.129 1.024 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.493 -12.046 1.042 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.463 -11.760 -0.375 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.067 -13.170 0.183 1.00 10.12 C ATOM 0 H ILE A 6 10.710 -9.567 1.884 1.00 61.21 H new ATOM 0 HA ILE A 6 8.275 -11.234 1.984 1.00 73.32 H new ATOM 0 HB ILE A 6 9.658 -13.143 1.284 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.821 -11.078 0.662 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.862 -12.129 2.064 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.886 -12.449 -1.106 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.375 -11.825 -0.402 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.772 -10.742 -0.615 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.156 -13.115 0.192 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.748 -14.133 0.583 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.707 -13.066 -0.841 1.00 10.12 H new ATOM 96 N ARG A 7 9.120 -12.514 4.013 1.00 43.32 N ATOM 97 CA ARG A 7 9.468 -12.973 5.335 1.00 44.44 C ATOM 98 C ARG A 7 10.429 -14.123 5.216 1.00 14.40 C ATOM 99 O ARG A 7 10.116 -15.137 4.579 1.00 73.14 O ATOM 100 CB ARG A 7 8.231 -13.419 6.127 1.00 13.53 C ATOM 101 CG ARG A 7 7.201 -12.286 6.200 1.00 74.33 C ATOM 102 CD ARG A 7 6.522 -12.282 7.580 1.00 62.21 C ATOM 103 NE ARG A 7 6.370 -13.650 8.100 1.00 62.41 N ATOM 104 CZ ARG A 7 6.595 -13.953 9.387 1.00 20.20 C ATOM 105 NH1 ARG A 7 6.972 -13.021 10.222 1.00 41.23 N ATOM 106 NH2 ARG A 7 6.444 -15.184 9.812 1.00 33.44 N ATOM 0 H ARG A 7 8.348 -13.016 3.574 1.00 43.32 H new ATOM 0 HA ARG A 7 9.927 -12.144 5.875 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.785 -14.294 5.653 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.525 -13.717 7.134 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.689 -11.328 6.023 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.453 -12.412 5.418 1.00 74.33 H new ATOM 0 HD2 ARG A 7 7.113 -11.688 8.278 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.544 -11.807 7.506 1.00 62.21 H new ATOM 0 HE ARG A 7 6.084 -14.392 7.461 1.00 62.41 H new ATOM 0 HH11 ARG A 7 7.095 -12.063 9.895 1.00 41.23 H new ATOM 0 HH12 ARG A 7 7.143 -13.252 11.201 1.00 41.23 H new ATOM 0 HH21 ARG A 7 6.154 -15.916 9.163 1.00 33.44 H new ATOM 0 HH22 ARG A 7 6.616 -15.410 10.792 1.00 33.44 H new ATOM 120 N LEU A 8 11.573 -13.960 5.822 1.00 14.31 N ATOM 121 CA LEU A 8 12.609 -14.961 5.821 1.00 32.33 C ATOM 122 C LEU A 8 12.798 -15.481 7.231 1.00 71.45 C ATOM 123 O LEU A 8 13.083 -14.705 8.159 1.00 32.14 O ATOM 124 CB LEU A 8 13.917 -14.331 5.291 1.00 51.41 C ATOM 125 CG LEU A 8 15.051 -15.376 5.140 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.753 -15.585 6.481 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.506 -16.717 4.623 1.00 70.54 C ATOM 0 H LEU A 8 11.817 -13.115 6.339 1.00 14.31 H new ATOM 0 HA LEU A 8 12.332 -15.794 5.175 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.727 -13.862 4.326 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.240 -13.543 5.971 1.00 51.41 H new ATOM 0 HG LEU A 8 15.766 -14.994 4.411 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.548 -16.321 6.364 1.00 43.15 H new ATOM 0 HD12 LEU A 8 16.179 -14.641 6.820 1.00 43.15 H new ATOM 0 HD13 LEU A 8 15.033 -15.942 7.217 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.325 -17.430 4.527 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.768 -17.105 5.325 1.00 70.54 H new ATOM 0 HD23 LEU A 8 14.038 -16.569 3.650 1.00 70.54 H new ATOM 139 N TRP A 9 12.639 -16.775 7.402 1.00 31.14 N ATOM 140 CA TRP A 9 12.818 -17.375 8.709 1.00 63.14 C ATOM 141 C TRP A 9 14.237 -17.835 8.824 1.00 61.44 C ATOM 142 O TRP A 9 14.747 -18.499 7.916 1.00 73.50 O ATOM 143 CB TRP A 9 11.924 -18.602 8.874 1.00 41.11 C ATOM 144 CG TRP A 9 10.557 -18.360 8.328 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.906 -17.175 8.294 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.676 -19.327 7.727 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.662 -17.373 7.717 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.480 -18.688 7.348 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.805 -20.695 7.483 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.439 -19.389 6.749 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.774 -21.405 6.876 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.587 -20.755 6.507 1.00 21.20 C ATOM 0 H TRP A 9 12.388 -17.429 6.660 1.00 31.14 H new ATOM 0 HA TRP A 9 12.564 -16.636 9.469 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.375 -19.453 8.364 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.854 -18.863 9.930 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.291 -16.233 8.656 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.968 -16.638 7.582 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.713 -21.207 7.768 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.526 -18.882 6.474 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.888 -22.462 6.688 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.789 -21.311 6.037 1.00 21.20 H new ATOM 163 N VAL A 10 14.854 -17.591 9.945 1.00 73.13 N ATOM 164 CA VAL A 10 16.197 -18.076 10.141 1.00 21.41 C ATOM 165 C VAL A 10 16.199 -19.131 11.226 1.00 54.12 C ATOM 166 O VAL A 10 15.761 -18.876 12.352 1.00 12.11 O ATOM 167 CB VAL A 10 17.128 -16.920 10.510 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.585 -17.377 10.447 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.911 -15.747 9.550 1.00 2.31 C ATOM 0 H VAL A 10 14.460 -17.068 10.727 1.00 73.13 H new ATOM 0 HA VAL A 10 16.560 -18.521 9.215 1.00 21.41 H new ATOM 0 HB VAL A 10 16.901 -16.597 11.526 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.239 -16.546 10.712 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.740 -18.198 11.148 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.817 -17.714 9.437 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.578 -14.928 9.820 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.124 -16.067 8.530 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.877 -15.409 9.616 1.00 2.31 H new ATOM 179 N SER A 11 16.734 -20.292 10.893 1.00 71.44 N ATOM 180 CA SER A 11 16.854 -21.388 11.828 1.00 32.15 C ATOM 181 C SER A 11 18.141 -21.199 12.602 1.00 55.14 C ATOM 182 O SER A 11 19.206 -21.042 11.994 1.00 33.30 O ATOM 183 CB SER A 11 16.912 -22.710 11.051 1.00 73.42 C ATOM 184 OG SER A 11 16.072 -22.620 9.891 1.00 53.13 O ATOM 0 H SER A 11 17.098 -20.498 9.963 1.00 71.44 H new ATOM 0 HA SER A 11 16.002 -21.411 12.507 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.939 -22.925 10.754 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.585 -23.533 11.687 1.00 73.42 H new ATOM 0 HG SER A 11 16.582 -22.237 9.147 1.00 53.13 H new ATOM 190 N VAL A 12 18.046 -21.128 13.916 1.00 44.50 N ATOM 191 CA VAL A 12 19.206 -20.845 14.723 1.00 65.33 C ATOM 192 C VAL A 12 19.522 -22.007 15.644 1.00 31.54 C ATOM 193 O VAL A 12 18.687 -22.401 16.474 1.00 45.10 O ATOM 194 CB VAL A 12 18.961 -19.569 15.549 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.087 -19.358 16.565 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.854 -18.349 14.622 1.00 44.14 C ATOM 0 H VAL A 12 17.181 -21.262 14.440 1.00 44.50 H new ATOM 0 HA VAL A 12 20.060 -20.693 14.063 1.00 65.33 H new ATOM 0 HB VAL A 12 18.023 -19.687 16.091 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.895 -18.451 17.138 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.132 -20.212 17.241 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.037 -19.261 16.040 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.681 -17.453 15.218 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.781 -18.237 14.060 1.00 44.14 H new ATOM 0 HG23 VAL A 12 18.024 -18.490 13.929 1.00 44.14 H new ATOM 206 N GLU A 13 20.770 -22.449 15.589 1.00 65.32 N ATOM 207 CA GLU A 13 21.280 -23.455 16.505 1.00 15.40 C ATOM 208 C GLU A 13 22.477 -22.887 17.243 1.00 23.23 C ATOM 209 O GLU A 13 23.407 -22.352 16.616 1.00 42.34 O ATOM 210 CB GLU A 13 21.705 -24.719 15.748 1.00 20.03 C ATOM 211 CG GLU A 13 20.476 -25.407 15.130 1.00 1.01 C ATOM 212 CD GLU A 13 20.883 -26.672 14.394 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.972 -27.154 14.619 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.107 -27.141 13.604 1.00 34.31 O ATOM 0 H GLU A 13 21.455 -22.120 14.909 1.00 65.32 H new ATOM 0 HA GLU A 13 20.491 -23.723 17.208 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.418 -24.460 14.965 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.212 -25.405 16.427 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.757 -25.651 15.913 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.978 -24.724 14.442 1.00 1.01 H new ATOM 221 N ASP A 14 22.455 -22.973 18.557 1.00 22.33 N ATOM 222 CA ASP A 14 23.553 -22.459 19.358 1.00 31.53 C ATOM 223 C ASP A 14 24.384 -23.594 19.934 1.00 2.03 C ATOM 224 O ASP A 14 23.878 -24.701 20.166 1.00 12.43 O ATOM 225 CB ASP A 14 23.040 -21.523 20.467 1.00 1.42 C ATOM 226 CG ASP A 14 23.587 -21.932 21.809 1.00 22.13 C ATOM 227 OD1 ASP A 14 24.650 -21.471 22.159 1.00 34.20 O ATOM 228 OD2 ASP A 14 22.941 -22.700 22.472 1.00 24.52 O ATOM 0 H ASP A 14 21.695 -23.391 19.093 1.00 22.33 H new ATOM 0 HA ASP A 14 24.199 -21.872 18.705 1.00 31.53 H new ATOM 0 HB2 ASP A 14 23.334 -20.497 20.247 1.00 1.42 H new ATOM 0 HB3 ASP A 14 21.950 -21.544 20.492 1.00 1.42 H new ATOM 233 N ALA A 15 25.648 -23.302 20.182 1.00 64.23 N ATOM 234 CA ALA A 15 26.593 -24.277 20.732 1.00 62.10 C ATOM 235 C ALA A 15 26.139 -24.748 22.094 1.00 0.30 C ATOM 236 O ALA A 15 26.283 -25.920 22.439 1.00 4.10 O ATOM 237 CB ALA A 15 27.989 -23.670 20.850 1.00 72.21 C ATOM 0 H ALA A 15 26.056 -22.383 20.010 1.00 64.23 H new ATOM 0 HA ALA A 15 26.628 -25.127 20.050 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.675 -24.411 21.261 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.336 -23.362 19.864 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.954 -22.803 21.510 1.00 72.21 H new ATOM 243 N GLN A 16 25.574 -23.840 22.854 1.00 3.31 N ATOM 244 CA GLN A 16 25.075 -24.158 24.178 1.00 70.51 C ATOM 245 C GLN A 16 23.848 -25.053 24.071 1.00 44.44 C ATOM 246 O GLN A 16 23.308 -25.511 25.084 1.00 43.52 O ATOM 247 CB GLN A 16 24.767 -22.871 24.951 1.00 25.04 C ATOM 248 CG GLN A 16 26.061 -22.053 25.086 1.00 60.51 C ATOM 249 CD GLN A 16 27.066 -22.806 25.939 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.807 -23.048 27.114 1.00 42.31 O ATOM 251 NE2 GLN A 16 28.188 -23.213 25.421 1.00 32.13 N ATOM 0 H GLN A 16 25.446 -22.866 22.578 1.00 3.31 H new ATOM 0 HA GLN A 16 25.841 -24.702 24.731 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.006 -22.290 24.429 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.366 -23.109 25.936 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.482 -21.859 24.100 1.00 60.51 H new ATOM 0 HG3 GLN A 16 25.843 -21.084 25.536 1.00 60.51 H new ATOM 0 HE21 GLN A 16 28.402 -23.011 24.444 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.854 -23.734 25.992 1.00 32.13 H new ATOM 260 N MET A 17 23.432 -25.301 22.832 1.00 5.31 N ATOM 261 CA MET A 17 22.321 -26.179 22.496 1.00 12.12 C ATOM 262 C MET A 17 20.961 -25.509 22.646 1.00 54.32 C ATOM 263 O MET A 17 19.995 -26.128 23.119 1.00 30.13 O ATOM 264 CB MET A 17 22.406 -27.525 23.236 1.00 21.12 C ATOM 265 CG MET A 17 23.658 -28.269 22.744 1.00 2.23 C ATOM 266 SD MET A 17 23.805 -29.865 23.583 1.00 25.23 S ATOM 267 CE MET A 17 22.494 -30.728 22.678 1.00 74.04 C ATOM 0 H MET A 17 23.873 -24.883 22.012 1.00 5.31 H new ATOM 0 HA MET A 17 22.418 -26.400 21.433 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.459 -27.364 24.313 1.00 21.12 H new ATOM 0 HB3 MET A 17 21.512 -28.119 23.046 1.00 21.12 H new ATOM 0 HG2 MET A 17 23.600 -28.420 21.666 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.546 -27.667 22.934 1.00 2.23 H new ATOM 0 HE1 MET A 17 21.694 -30.999 23.367 1.00 74.04 H new ATOM 0 HE2 MET A 17 22.098 -30.075 21.901 1.00 74.04 H new ATOM 0 HE3 MET A 17 22.901 -31.630 22.221 1.00 74.04 H new ATOM 277 N HIS A 18 20.853 -24.310 22.087 1.00 43.51 N ATOM 278 CA HIS A 18 19.579 -23.611 21.967 1.00 22.43 C ATOM 279 C HIS A 18 19.163 -23.637 20.504 1.00 34.12 C ATOM 280 O HIS A 18 19.916 -23.174 19.642 1.00 31.44 O ATOM 281 CB HIS A 18 19.718 -22.146 22.402 1.00 70.50 C ATOM 282 CG HIS A 18 20.090 -22.050 23.853 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.385 -22.255 24.286 1.00 0.13 N ATOM 284 CD2 HIS A 18 19.363 -21.732 24.972 1.00 21.11 C ATOM 285 CE1 HIS A 18 21.406 -22.053 25.622 1.00 21.41 C ATOM 286 NE2 HIS A 18 20.194 -21.728 26.090 1.00 74.45 N ATOM 0 H HIS A 18 21.646 -23.795 21.704 1.00 43.51 H new ATOM 0 HA HIS A 18 18.841 -24.100 22.603 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.477 -21.653 21.795 1.00 70.50 H new ATOM 0 HB3 HIS A 18 18.779 -21.620 22.228 1.00 70.50 H new ATOM 0 HD1 HIS A 18 22.181 -22.512 23.703 1.00 0.13 H new ATOM 0 HD2 HIS A 18 18.305 -21.517 24.984 1.00 21.11 H new ATOM 0 HE1 HIS A 18 22.290 -22.143 26.236 1.00 21.41 H new ATOM 295 N THR A 19 17.981 -24.144 20.220 1.00 71.41 N ATOM 296 CA THR A 19 17.488 -24.183 18.852 1.00 41.11 C ATOM 297 C THR A 19 16.300 -23.242 18.705 1.00 2.13 C ATOM 298 O THR A 19 15.251 -23.458 19.318 1.00 64.45 O ATOM 299 CB THR A 19 17.065 -25.613 18.505 1.00 2.14 C ATOM 300 OG1 THR A 19 18.072 -26.526 18.957 1.00 11.24 O ATOM 301 CG2 THR A 19 16.894 -25.749 16.989 1.00 20.53 C ATOM 0 H THR A 19 17.343 -24.535 20.913 1.00 71.41 H new ATOM 0 HA THR A 19 18.278 -23.865 18.172 1.00 41.11 H new ATOM 0 HB THR A 19 16.118 -25.840 18.994 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.804 -27.443 18.738 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.593 -26.768 16.747 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.129 -25.053 16.645 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.839 -25.522 16.495 1.00 20.53 H new ATOM 309 N VAL A 20 16.452 -22.212 17.905 1.00 62.44 N ATOM 310 CA VAL A 20 15.373 -21.264 17.702 1.00 2.05 C ATOM 311 C VAL A 20 15.248 -20.875 16.245 1.00 1.51 C ATOM 312 O VAL A 20 16.209 -20.961 15.485 1.00 15.42 O ATOM 313 CB VAL A 20 15.561 -20.013 18.586 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.455 -20.403 20.061 1.00 41.33 C ATOM 315 CG2 VAL A 20 16.938 -19.383 18.332 1.00 52.53 C ATOM 0 H VAL A 20 17.306 -22.007 17.386 1.00 62.44 H new ATOM 0 HA VAL A 20 14.446 -21.754 17.998 1.00 2.05 H new ATOM 0 HB VAL A 20 14.783 -19.291 18.337 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.588 -19.517 20.682 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.474 -20.837 20.253 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.228 -21.134 20.301 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.057 -18.502 18.962 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.718 -20.106 18.569 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.018 -19.093 17.284 1.00 52.53 H new ATOM 325 N THR A 21 14.103 -20.349 15.897 1.00 63.53 N ATOM 326 CA THR A 21 13.887 -19.803 14.584 1.00 44.25 C ATOM 327 C THR A 21 13.524 -18.348 14.731 1.00 12.41 C ATOM 328 O THR A 21 12.689 -17.992 15.570 1.00 11.33 O ATOM 329 CB THR A 21 12.770 -20.556 13.860 1.00 65.22 C ATOM 330 OG1 THR A 21 13.117 -21.931 13.779 1.00 25.54 O ATOM 331 CG2 THR A 21 12.599 -19.994 12.441 1.00 10.42 C ATOM 0 H THR A 21 13.295 -20.287 16.516 1.00 63.53 H new ATOM 0 HA THR A 21 14.795 -19.907 13.990 1.00 44.25 H new ATOM 0 HB THR A 21 11.836 -20.437 14.409 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.405 -22.421 13.318 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.802 -20.534 11.929 1.00 10.42 H new ATOM 0 HG22 THR A 21 12.343 -18.936 12.497 1.00 10.42 H new ATOM 0 HG23 THR A 21 13.531 -20.113 11.888 1.00 10.42 H new ATOM 339 N ILE A 22 14.147 -17.502 13.946 1.00 41.12 N ATOM 340 CA ILE A 22 13.850 -16.087 14.012 1.00 63.41 C ATOM 341 C ILE A 22 13.314 -15.629 12.680 1.00 15.43 C ATOM 342 O ILE A 22 13.509 -16.303 11.660 1.00 50.41 O ATOM 343 CB ILE A 22 15.078 -15.270 14.437 1.00 35.34 C ATOM 344 CG1 ILE A 22 16.199 -15.428 13.415 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.560 -15.745 15.813 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.340 -14.465 13.746 1.00 75.44 C ATOM 0 H ILE A 22 14.856 -17.762 13.260 1.00 41.12 H new ATOM 0 HA ILE A 22 13.090 -15.921 14.776 1.00 63.41 H new ATOM 0 HB ILE A 22 14.800 -14.217 14.492 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.565 -16.455 13.418 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.821 -15.228 12.413 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.432 -15.164 16.114 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.763 -15.609 16.545 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.828 -16.800 15.760 1.00 31.40 H new ATOM 0 HD11 ILE A 22 18.139 -14.581 13.013 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.970 -13.440 13.720 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.726 -14.686 14.741 1.00 75.44 H new ATOM 358 N TRP A 23 12.491 -14.612 12.724 1.00 51.20 N ATOM 359 CA TRP A 23 11.739 -14.204 11.564 1.00 45.54 C ATOM 360 C TRP A 23 12.200 -12.838 11.113 1.00 3.15 C ATOM 361 O TRP A 23 12.133 -11.875 11.882 1.00 71.12 O ATOM 362 CB TRP A 23 10.251 -14.171 11.947 1.00 14.21 C ATOM 363 CG TRP A 23 9.949 -15.372 12.806 1.00 32.22 C ATOM 364 CD1 TRP A 23 10.215 -15.469 14.134 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.341 -16.632 12.428 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.825 -16.718 14.578 1.00 24.00 N ATOM 367 CE2 TRP A 23 9.278 -17.470 13.568 1.00 64.15 C ATOM 368 CE3 TRP A 23 8.856 -17.130 11.215 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.746 -18.754 13.502 1.00 24.32 C ATOM 370 CZ3 TRP A 23 8.310 -18.420 11.143 1.00 74.51 C ATOM 371 CH2 TRP A 23 8.260 -19.231 12.285 1.00 12.23 C ATOM 0 H TRP A 23 12.324 -14.048 13.557 1.00 51.20 H new ATOM 0 HA TRP A 23 11.893 -14.903 10.742 1.00 45.54 H new ATOM 0 HB2 TRP A 23 10.019 -13.252 12.486 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.630 -14.180 11.052 1.00 14.21 H new ATOM 0 HD1 TRP A 23 10.659 -14.696 14.744 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.931 -17.042 15.539 1.00 24.00 H new ATOM 0 HE3 TRP A 23 8.902 -16.517 10.327 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.710 -19.375 14.385 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 7.926 -18.790 10.204 1.00 74.51 H new ATOM 0 HH2 TRP A 23 7.845 -20.226 12.222 1.00 12.23 H new ATOM 382 N LEU A 24 12.649 -12.751 9.874 1.00 44.10 N ATOM 383 CA LEU A 24 13.113 -11.492 9.303 1.00 40.20 C ATOM 384 C LEU A 24 12.251 -11.133 8.096 1.00 52.40 C ATOM 385 O LEU A 24 11.898 -12.012 7.303 1.00 21.24 O ATOM 386 CB LEU A 24 14.576 -11.639 8.855 1.00 70.54 C ATOM 387 CG LEU A 24 15.459 -12.049 10.054 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.880 -12.329 9.573 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.506 -10.918 11.083 1.00 21.54 C ATOM 0 H LEU A 24 12.704 -13.544 9.235 1.00 44.10 H new ATOM 0 HA LEU A 24 13.038 -10.705 10.054 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.650 -12.388 8.066 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.932 -10.698 8.436 1.00 70.54 H new ATOM 0 HG LEU A 24 15.034 -12.943 10.510 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.501 -12.618 10.421 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.864 -13.138 8.843 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.291 -11.431 9.111 1.00 42.21 H new ATOM 0 HD21 LEU A 24 16.131 -11.217 11.924 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.923 -10.023 10.621 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.497 -10.707 11.438 1.00 21.54 H new ATOM 401 N THR A 25 11.966 -9.854 7.923 1.00 32.11 N ATOM 402 CA THR A 25 11.213 -9.394 6.769 1.00 20.03 C ATOM 403 C THR A 25 12.120 -8.535 5.892 1.00 15.11 C ATOM 404 O THR A 25 12.611 -7.492 6.333 1.00 30.42 O ATOM 405 CB THR A 25 10.009 -8.572 7.242 1.00 11.33 C ATOM 406 OG1 THR A 25 9.426 -9.199 8.387 1.00 74.12 O ATOM 407 CG2 THR A 25 8.961 -8.494 6.126 1.00 51.01 C ATOM 0 H THR A 25 12.245 -9.115 8.568 1.00 32.11 H new ATOM 0 HA THR A 25 10.856 -10.248 6.193 1.00 20.03 H new ATOM 0 HB THR A 25 10.342 -7.566 7.499 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.657 -8.673 8.692 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.108 -7.908 6.468 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.399 -8.018 5.248 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.630 -9.500 5.867 1.00 51.01 H new ATOM 415 N VAL A 26 12.373 -8.989 4.680 1.00 24.42 N ATOM 416 CA VAL A 26 13.264 -8.285 3.762 1.00 0.53 C ATOM 417 C VAL A 26 12.884 -8.601 2.332 1.00 14.44 C ATOM 418 O VAL A 26 12.089 -9.494 2.090 1.00 61.52 O ATOM 419 CB VAL A 26 14.728 -8.699 4.007 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.187 -8.246 5.398 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.858 -10.222 3.900 1.00 64.00 C ATOM 0 H VAL A 26 11.974 -9.848 4.301 1.00 24.42 H new ATOM 0 HA VAL A 26 13.165 -7.214 3.938 1.00 0.53 H new ATOM 0 HB VAL A 26 15.356 -8.222 3.254 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.223 -8.546 5.555 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.108 -7.161 5.472 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.556 -8.708 6.158 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.894 -10.512 4.074 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.219 -10.695 4.646 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.553 -10.544 2.904 1.00 64.00 H new ATOM 431 N ARG A 27 13.522 -7.943 1.388 1.00 33.21 N ATOM 432 CA ARG A 27 13.322 -8.257 -0.022 1.00 4.21 C ATOM 433 C ARG A 27 14.457 -9.150 -0.512 1.00 3.32 C ATOM 434 O ARG A 27 15.593 -8.988 -0.080 1.00 72.11 O ATOM 435 CB ARG A 27 13.272 -6.971 -0.862 1.00 30.33 C ATOM 436 CG ARG A 27 14.421 -6.026 -0.464 1.00 13.41 C ATOM 437 CD ARG A 27 13.867 -4.610 -0.274 1.00 0.42 C ATOM 438 NE ARG A 27 13.246 -4.125 -1.517 1.00 5.44 N ATOM 439 CZ ARG A 27 13.971 -3.885 -2.614 1.00 52.45 C ATOM 440 NH1 ARG A 27 15.268 -4.022 -2.567 1.00 55.30 N ATOM 441 NH2 ARG A 27 13.389 -3.494 -3.708 1.00 23.52 N ATOM 0 H ARG A 27 14.184 -7.187 1.565 1.00 33.21 H new ATOM 0 HA ARG A 27 12.372 -8.779 -0.133 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.346 -7.218 -1.921 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.314 -6.471 -0.717 1.00 30.33 H new ATOM 0 HG2 ARG A 27 14.890 -6.372 0.457 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.192 -6.027 -1.234 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.132 -4.606 0.531 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.670 -3.936 0.024 1.00 0.42 H new ATOM 0 HE ARG A 27 12.238 -3.968 -1.542 1.00 5.44 H new ATOM 0 HH11 ARG A 27 15.719 -4.310 -1.699 1.00 55.30 H new ATOM 0 HH12 ARG A 27 15.830 -3.841 -3.399 1.00 55.30 H new ATOM 0 HH21 ARG A 27 12.377 -3.370 -3.731 1.00 23.52 H new ATOM 0 HH22 ARG A 27 13.944 -3.311 -4.544 1.00 23.52 H new ATOM 455 N PRO A 28 14.209 -10.019 -1.463 1.00 70.42 N ATOM 456 CA PRO A 28 15.277 -10.909 -2.030 1.00 2.44 C ATOM 457 C PRO A 28 16.428 -10.071 -2.564 1.00 10.52 C ATOM 458 O PRO A 28 17.582 -10.525 -2.629 1.00 73.22 O ATOM 459 CB PRO A 28 14.565 -11.627 -3.186 1.00 63.31 C ATOM 460 CG PRO A 28 13.114 -11.581 -2.833 1.00 53.01 C ATOM 461 CD PRO A 28 12.899 -10.254 -2.109 1.00 50.41 C ATOM 0 HA PRO A 28 15.700 -11.594 -1.295 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.756 -11.130 -4.137 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.914 -12.654 -3.288 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.493 -11.643 -3.727 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.841 -12.422 -2.196 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.639 -9.453 -2.801 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.093 -10.318 -1.378 1.00 50.41 H new ATOM 469 N ASP A 29 16.077 -8.850 -2.956 1.00 21.24 N ATOM 470 CA ASP A 29 17.004 -7.863 -3.496 1.00 42.34 C ATOM 471 C ASP A 29 18.036 -7.434 -2.455 1.00 22.22 C ATOM 472 O ASP A 29 19.174 -7.077 -2.795 1.00 73.13 O ATOM 473 CB ASP A 29 16.231 -6.649 -4.027 1.00 0.01 C ATOM 474 CG ASP A 29 17.177 -5.606 -4.578 1.00 62.22 C ATOM 475 OD1 ASP A 29 17.942 -5.937 -5.451 1.00 21.43 O ATOM 476 OD2 ASP A 29 17.123 -4.484 -4.122 1.00 43.24 O ATOM 0 H ASP A 29 15.116 -8.512 -2.905 1.00 21.24 H new ATOM 0 HA ASP A 29 17.546 -8.325 -4.321 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.539 -6.966 -4.807 1.00 0.01 H new ATOM 0 HB3 ASP A 29 15.632 -6.216 -3.226 1.00 0.01 H new ATOM 481 N MET A 30 17.624 -7.426 -1.198 1.00 31.25 N ATOM 482 CA MET A 30 18.516 -7.051 -0.105 1.00 25.12 C ATOM 483 C MET A 30 19.737 -7.974 -0.091 1.00 64.13 C ATOM 484 O MET A 30 19.820 -8.926 -0.879 1.00 62.13 O ATOM 485 CB MET A 30 17.769 -7.136 1.240 1.00 2.42 C ATOM 486 CG MET A 30 17.721 -5.760 1.909 1.00 11.34 C ATOM 487 SD MET A 30 19.186 -5.556 2.948 1.00 52.43 S ATOM 488 CE MET A 30 18.633 -6.611 4.322 1.00 61.23 C ATOM 0 H MET A 30 16.679 -7.674 -0.906 1.00 31.25 H new ATOM 0 HA MET A 30 18.850 -6.024 -0.255 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.756 -7.505 1.078 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.267 -7.850 1.896 1.00 2.42 H new ATOM 0 HG2 MET A 30 17.684 -4.976 1.153 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.817 -5.666 2.511 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.500 -6.003 5.217 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.686 -7.083 4.060 1.00 61.23 H new ATOM 0 HE3 MET A 30 19.381 -7.380 4.514 1.00 61.23 H new ATOM 498 N THR A 31 20.673 -7.709 0.808 1.00 12.23 N ATOM 499 CA THR A 31 21.879 -8.509 0.892 1.00 31.41 C ATOM 500 C THR A 31 22.069 -9.035 2.305 1.00 44.04 C ATOM 501 O THR A 31 21.528 -8.474 3.273 1.00 12.01 O ATOM 502 CB THR A 31 23.102 -7.688 0.414 1.00 25.42 C ATOM 503 OG1 THR A 31 24.028 -8.534 -0.266 1.00 20.13 O ATOM 504 CG2 THR A 31 23.813 -7.017 1.598 1.00 40.23 C ATOM 0 H THR A 31 20.619 -6.949 1.486 1.00 12.23 H new ATOM 0 HA THR A 31 21.782 -9.371 0.232 1.00 31.41 H new ATOM 0 HB THR A 31 22.739 -6.916 -0.265 1.00 25.42 H new ATOM 0 HG1 THR A 31 23.857 -9.468 -0.024 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.668 -6.447 1.234 1.00 40.23 H new ATOM 0 HG22 THR A 31 23.120 -6.346 2.106 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.157 -7.780 2.296 1.00 40.23 H new ATOM 512 N VAL A 32 22.821 -10.116 2.425 1.00 60.15 N ATOM 513 CA VAL A 32 23.058 -10.732 3.708 1.00 10.31 C ATOM 514 C VAL A 32 23.794 -9.780 4.641 1.00 54.12 C ATOM 515 O VAL A 32 23.438 -9.658 5.809 1.00 54.33 O ATOM 516 CB VAL A 32 23.783 -12.076 3.552 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.246 -12.600 4.918 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.806 -13.087 2.963 1.00 24.05 C ATOM 0 H VAL A 32 23.278 -10.583 1.642 1.00 60.15 H new ATOM 0 HA VAL A 32 22.094 -10.947 4.169 1.00 10.31 H new ATOM 0 HB VAL A 32 24.650 -11.938 2.905 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.758 -13.553 4.788 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.928 -11.881 5.371 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.381 -12.738 5.567 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.305 -14.049 2.845 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.953 -13.200 3.632 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.461 -12.736 1.991 1.00 24.05 H new ATOM 528 N ALA A 33 24.792 -9.085 4.119 1.00 53.45 N ATOM 529 CA ALA A 33 25.538 -8.132 4.934 1.00 55.04 C ATOM 530 C ALA A 33 24.566 -7.249 5.716 1.00 52.23 C ATOM 531 O ALA A 33 24.666 -7.128 6.938 1.00 54.14 O ATOM 532 CB ALA A 33 26.423 -7.249 4.048 1.00 50.32 C ATOM 0 H ALA A 33 25.103 -9.158 3.150 1.00 53.45 H new ATOM 0 HA ALA A 33 26.170 -8.687 5.627 1.00 55.04 H new ATOM 0 HB1 ALA A 33 26.973 -6.544 4.671 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.127 -7.874 3.499 1.00 50.32 H new ATOM 0 HB3 ALA A 33 25.799 -6.700 3.342 1.00 50.32 H new ATOM 538 N SER A 34 23.598 -6.683 5.018 1.00 20.42 N ATOM 539 CA SER A 34 22.573 -5.878 5.667 1.00 42.23 C ATOM 540 C SER A 34 21.717 -6.748 6.584 1.00 51.41 C ATOM 541 O SER A 34 21.298 -6.331 7.658 1.00 74.05 O ATOM 542 CB SER A 34 21.710 -5.195 4.620 1.00 22.13 C ATOM 543 OG SER A 34 22.552 -4.512 3.697 1.00 22.31 O ATOM 0 H SER A 34 23.498 -6.764 4.006 1.00 20.42 H new ATOM 0 HA SER A 34 23.056 -5.113 6.274 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.099 -5.931 4.098 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.026 -4.493 5.096 1.00 22.13 H new ATOM 0 HG SER A 34 22.002 -4.070 3.017 1.00 22.31 H new ATOM 549 N LEU A 35 21.470 -7.967 6.139 1.00 42.51 N ATOM 550 CA LEU A 35 20.675 -8.925 6.898 1.00 60.21 C ATOM 551 C LEU A 35 21.375 -9.243 8.216 1.00 12.50 C ATOM 552 O LEU A 35 20.741 -9.294 9.275 1.00 51.11 O ATOM 553 CB LEU A 35 20.469 -10.196 6.061 1.00 20.44 C ATOM 554 CG LEU A 35 19.602 -11.214 6.802 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.261 -10.581 7.156 1.00 4.13 C ATOM 556 CD2 LEU A 35 19.359 -12.407 5.880 1.00 72.44 C ATOM 0 H LEU A 35 21.811 -8.323 5.246 1.00 42.51 H new ATOM 0 HA LEU A 35 19.698 -8.499 7.125 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.999 -9.937 5.112 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.436 -10.641 5.827 1.00 20.44 H new ATOM 0 HG LEU A 35 20.105 -11.534 7.715 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.644 -11.308 7.684 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.426 -9.713 7.794 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.753 -10.269 6.243 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.741 -13.144 6.394 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.848 -12.071 4.977 1.00 72.44 H new ATOM 0 HD23 LEU A 35 20.314 -12.859 5.610 1.00 72.44 H new ATOM 568 N LYS A 36 22.696 -9.380 8.157 1.00 34.21 N ATOM 569 CA LYS A 36 23.501 -9.622 9.356 1.00 44.21 C ATOM 570 C LYS A 36 23.309 -8.476 10.323 1.00 31.00 C ATOM 571 O LYS A 36 23.196 -8.667 11.546 1.00 33.33 O ATOM 572 CB LYS A 36 24.985 -9.641 8.984 1.00 43.15 C ATOM 573 CG LYS A 36 25.340 -10.853 8.137 1.00 4.03 C ATOM 574 CD LYS A 36 25.418 -12.086 9.032 1.00 65.42 C ATOM 575 CE LYS A 36 26.240 -13.179 8.331 1.00 65.21 C ATOM 576 NZ LYS A 36 27.516 -12.600 7.832 1.00 35.45 N ATOM 0 H LYS A 36 23.235 -9.328 7.292 1.00 34.21 H new ATOM 0 HA LYS A 36 23.196 -10.571 9.796 1.00 44.21 H new ATOM 0 HB2 LYS A 36 25.235 -8.731 8.439 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.587 -9.644 9.892 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.590 -11.000 7.360 1.00 4.03 H new ATOM 0 HG3 LYS A 36 26.294 -10.693 7.634 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.877 -11.827 9.986 1.00 65.42 H new ATOM 0 HD3 LYS A 36 24.415 -12.454 9.250 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.445 -13.995 9.024 1.00 65.21 H new ATOM 0 HE3 LYS A 36 25.671 -13.601 7.502 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.283 -13.291 7.958 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 27.421 -12.368 6.823 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 27.737 -11.736 8.366 1.00 35.45 H new ATOM 590 N ASP A 37 23.328 -7.280 9.775 1.00 21.40 N ATOM 591 CA ASP A 37 23.221 -6.073 10.570 1.00 31.33 C ATOM 592 C ASP A 37 21.930 -6.048 11.365 1.00 3.04 C ATOM 593 O ASP A 37 21.954 -5.924 12.590 1.00 73.14 O ATOM 594 CB ASP A 37 23.306 -4.837 9.662 1.00 1.34 C ATOM 595 CG ASP A 37 23.009 -3.578 10.447 1.00 74.31 C ATOM 596 OD1 ASP A 37 23.717 -3.309 11.393 1.00 52.50 O ATOM 597 OD2 ASP A 37 22.080 -2.893 10.078 1.00 11.04 O ATOM 0 H ASP A 37 23.417 -7.116 8.772 1.00 21.40 H new ATOM 0 HA ASP A 37 24.051 -6.060 11.277 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.301 -4.771 9.221 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.598 -4.934 8.839 1.00 1.34 H new ATOM 602 N MET A 38 20.813 -6.270 10.688 1.00 34.44 N ATOM 603 CA MET A 38 19.522 -6.237 11.367 1.00 41.13 C ATOM 604 C MET A 38 19.468 -7.288 12.444 1.00 34.34 C ATOM 605 O MET A 38 18.984 -7.032 13.540 1.00 71.22 O ATOM 606 CB MET A 38 18.349 -6.444 10.413 1.00 41.21 C ATOM 607 CG MET A 38 18.804 -6.417 8.960 1.00 23.15 C ATOM 608 SD MET A 38 17.349 -6.524 7.886 1.00 32.15 S ATOM 609 CE MET A 38 16.694 -8.107 8.509 1.00 74.35 C ATOM 0 H MET A 38 20.771 -6.471 9.689 1.00 34.44 H new ATOM 0 HA MET A 38 19.429 -5.242 11.803 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.867 -7.398 10.628 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.603 -5.666 10.577 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.357 -5.500 8.755 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.481 -7.248 8.762 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.436 -8.750 7.668 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.450 -8.597 9.122 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.804 -7.921 9.110 1.00 74.35 H new ATOM 619 N VAL A 39 20.008 -8.453 12.156 1.00 14.41 N ATOM 620 CA VAL A 39 20.010 -9.521 13.129 1.00 25.32 C ATOM 621 C VAL A 39 20.726 -9.040 14.376 1.00 51.44 C ATOM 622 O VAL A 39 20.225 -9.195 15.503 1.00 21.33 O ATOM 623 CB VAL A 39 20.688 -10.781 12.560 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.780 -11.878 13.636 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.885 -11.311 11.366 1.00 65.31 C ATOM 0 H VAL A 39 20.447 -8.682 11.264 1.00 14.41 H new ATOM 0 HA VAL A 39 18.983 -9.789 13.378 1.00 25.32 H new ATOM 0 HB VAL A 39 21.694 -10.514 12.237 1.00 31.13 H new ATOM 0 HG11 VAL A 39 21.262 -12.761 13.215 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.365 -11.512 14.479 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.778 -12.139 13.976 1.00 41.14 H new ATOM 0 HG21 VAL A 39 20.370 -12.202 10.968 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.875 -11.561 11.689 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.839 -10.546 10.590 1.00 65.31 H new ATOM 635 N PHE A 40 21.843 -8.365 14.173 1.00 3.12 N ATOM 636 CA PHE A 40 22.538 -7.750 15.274 1.00 33.42 C ATOM 637 C PHE A 40 21.663 -6.708 15.931 1.00 2.10 C ATOM 638 O PHE A 40 21.570 -6.657 17.151 1.00 42.22 O ATOM 639 CB PHE A 40 23.866 -7.141 14.819 1.00 31.43 C ATOM 640 CG PHE A 40 24.538 -6.415 15.978 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.892 -7.115 17.140 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.789 -5.042 15.889 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.500 -6.441 18.209 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.398 -4.371 16.961 1.00 33.14 C ATOM 645 CZ PHE A 40 25.755 -5.068 18.118 1.00 34.32 C ATOM 0 H PHE A 40 22.280 -8.233 13.261 1.00 3.12 H new ATOM 0 HA PHE A 40 22.765 -8.523 16.008 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.523 -7.924 14.441 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.693 -6.447 13.997 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.696 -8.175 17.212 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.515 -4.499 14.997 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.772 -6.982 19.103 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.592 -3.311 16.891 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.226 -4.549 18.939 1.00 34.32 H new ATOM 655 N LEU A 41 21.034 -5.859 15.130 1.00 22.50 N ATOM 656 CA LEU A 41 20.207 -4.800 15.699 1.00 60.20 C ATOM 657 C LEU A 41 19.074 -5.429 16.471 1.00 62.30 C ATOM 658 O LEU A 41 18.739 -5.014 17.589 1.00 2.04 O ATOM 659 CB LEU A 41 19.554 -4.001 14.567 1.00 64.43 C ATOM 660 CG LEU A 41 20.609 -3.362 13.679 1.00 14.35 C ATOM 661 CD1 LEU A 41 19.937 -2.583 12.552 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.519 -2.452 14.485 1.00 2.24 C ATOM 0 H LEU A 41 21.076 -5.878 14.111 1.00 22.50 H new ATOM 0 HA LEU A 41 20.831 -4.166 16.329 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.920 -4.658 13.971 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.909 -3.229 14.986 1.00 64.43 H new ATOM 0 HG LEU A 41 21.223 -4.153 13.247 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.699 -2.128 11.920 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.327 -3.261 11.955 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.304 -1.803 12.976 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.265 -2.007 13.826 1.00 2.24 H new ATOM 0 HD22 LEU A 41 20.927 -1.663 14.948 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.019 -3.032 15.260 1.00 2.24 H new ATOM 674 N ASP A 42 18.467 -6.404 15.838 1.00 3.40 N ATOM 675 CA ASP A 42 17.282 -7.066 16.364 1.00 20.53 C ATOM 676 C ASP A 42 17.579 -7.937 17.557 1.00 55.41 C ATOM 677 O ASP A 42 16.856 -7.898 18.557 1.00 3.34 O ATOM 678 CB ASP A 42 16.630 -7.930 15.278 1.00 22.22 C ATOM 679 CG ASP A 42 15.964 -7.083 14.207 1.00 70.13 C ATOM 680 OD1 ASP A 42 15.849 -5.884 14.388 1.00 75.41 O ATOM 681 OD2 ASP A 42 15.547 -7.644 13.222 1.00 72.43 O ATOM 0 H ASP A 42 18.778 -6.768 14.937 1.00 3.40 H new ATOM 0 HA ASP A 42 16.606 -6.273 16.685 1.00 20.53 H new ATOM 0 HB2 ASP A 42 17.385 -8.568 14.819 1.00 22.22 H new ATOM 0 HB3 ASP A 42 15.890 -8.588 15.733 1.00 22.22 H new ATOM 686 N TYR A 43 18.547 -8.826 17.402 1.00 32.23 N ATOM 687 CA TYR A 43 18.800 -9.832 18.426 1.00 3.43 C ATOM 688 C TYR A 43 20.125 -9.623 19.134 1.00 54.44 C ATOM 689 O TYR A 43 20.477 -10.391 20.029 1.00 52.22 O ATOM 690 CB TYR A 43 18.736 -11.236 17.815 1.00 12.45 C ATOM 691 CG TYR A 43 17.512 -11.344 16.933 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.241 -11.444 17.504 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.648 -11.330 15.544 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.115 -11.533 16.689 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.522 -11.417 14.731 1.00 50.22 C ATOM 696 CZ TYR A 43 15.258 -11.519 15.301 1.00 33.42 C ATOM 697 OH TYR A 43 14.149 -11.608 14.494 1.00 11.32 O ATOM 0 H TYR A 43 19.163 -8.874 16.591 1.00 32.23 H new ATOM 0 HA TYR A 43 18.019 -9.727 19.179 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.636 -11.433 17.233 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.697 -11.987 18.604 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.131 -11.452 18.578 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.629 -11.251 15.099 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.133 -11.613 17.131 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.630 -11.405 13.656 1.00 50.22 H new ATOM 0 HH TYR A 43 14.425 -11.583 13.554 1.00 11.32 H new ATOM 707 N GLY A 44 20.863 -8.602 18.740 1.00 13.32 N ATOM 708 CA GLY A 44 22.157 -8.319 19.355 1.00 51.52 C ATOM 709 C GLY A 44 23.150 -9.393 18.983 1.00 41.34 C ATOM 710 O GLY A 44 24.185 -9.539 19.625 1.00 41.15 O ATOM 0 H GLY A 44 20.594 -7.954 18.000 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.521 -7.346 19.025 1.00 51.52 H new ATOM 0 HA3 GLY A 44 22.051 -8.269 20.439 1.00 51.52 H new ATOM 714 N PHE A 45 22.819 -10.148 17.942 1.00 73.22 N ATOM 715 CA PHE A 45 23.670 -11.232 17.483 1.00 0.40 C ATOM 716 C PHE A 45 24.942 -10.669 16.874 1.00 12.32 C ATOM 717 O PHE A 45 24.889 -9.988 15.843 1.00 44.25 O ATOM 718 CB PHE A 45 22.931 -12.085 16.445 1.00 13.01 C ATOM 719 CG PHE A 45 21.853 -12.939 17.107 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.558 -12.800 18.479 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.153 -13.884 16.341 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.570 -13.597 19.066 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.164 -14.677 16.936 1.00 74.25 C ATOM 724 CZ PHE A 45 19.875 -14.536 18.297 1.00 11.12 C ATOM 0 H PHE A 45 21.963 -10.026 17.400 1.00 73.22 H new ATOM 0 HA PHE A 45 23.928 -11.860 18.336 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.477 -11.438 15.694 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.641 -12.728 15.925 1.00 13.01 H new ATOM 0 HD1 PHE A 45 22.095 -12.078 19.076 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.377 -14.000 15.291 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.343 -13.487 20.116 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.623 -15.399 16.342 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.115 -15.152 18.754 1.00 11.12 H new ATOM 734 N PRO A 46 26.066 -10.896 17.499 1.00 33.44 N ATOM 735 CA PRO A 46 27.359 -10.342 17.027 1.00 1.25 C ATOM 736 C PRO A 46 27.823 -11.049 15.759 1.00 72.23 C ATOM 737 O PRO A 46 27.493 -12.225 15.529 1.00 63.41 O ATOM 738 CB PRO A 46 28.314 -10.618 18.191 1.00 45.41 C ATOM 739 CG PRO A 46 27.749 -11.825 18.860 1.00 3.22 C ATOM 740 CD PRO A 46 26.230 -11.712 18.714 1.00 61.54 C ATOM 0 HA PRO A 46 27.300 -9.284 16.771 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.329 -10.799 17.837 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.361 -9.771 18.875 1.00 45.41 H new ATOM 0 HG2 PRO A 46 28.119 -12.739 18.395 1.00 3.22 H new ATOM 0 HG3 PRO A 46 28.039 -11.861 19.910 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.762 -12.691 18.607 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.777 -11.235 19.583 1.00 61.54 H new ATOM 748 N PRO A 47 28.566 -10.375 14.938 1.00 24.43 N ATOM 749 CA PRO A 47 29.040 -10.945 13.651 1.00 3.35 C ATOM 750 C PRO A 47 29.854 -12.205 13.851 1.00 32.23 C ATOM 751 O PRO A 47 29.783 -13.125 13.037 1.00 60.40 O ATOM 752 CB PRO A 47 29.892 -9.826 13.040 1.00 22.12 C ATOM 753 CG PRO A 47 30.229 -8.922 14.184 1.00 61.03 C ATOM 754 CD PRO A 47 29.038 -8.995 15.134 1.00 72.21 C ATOM 0 HA PRO A 47 28.212 -11.245 13.009 1.00 3.35 H new ATOM 0 HB2 PRO A 47 30.793 -10.226 12.575 1.00 22.12 H new ATOM 0 HB3 PRO A 47 29.343 -9.292 12.264 1.00 22.12 H new ATOM 0 HG2 PRO A 47 31.145 -9.243 14.680 1.00 61.03 H new ATOM 0 HG3 PRO A 47 30.394 -7.901 13.840 1.00 61.03 H new ATOM 0 HD2 PRO A 47 29.330 -8.808 16.167 1.00 72.21 H new ATOM 0 HD3 PRO A 47 28.271 -8.263 14.882 1.00 72.21 H new ATOM 762 N VAL A 48 30.558 -12.292 14.965 1.00 2.22 N ATOM 763 CA VAL A 48 31.295 -13.499 15.258 1.00 3.34 C ATOM 764 C VAL A 48 30.328 -14.671 15.365 1.00 13.44 C ATOM 765 O VAL A 48 30.541 -15.735 14.776 1.00 24.32 O ATOM 766 CB VAL A 48 32.117 -13.340 16.564 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.205 -12.912 17.726 1.00 44.54 C ATOM 768 CG2 VAL A 48 32.789 -14.675 16.925 1.00 41.53 C ATOM 0 H VAL A 48 30.633 -11.555 15.667 1.00 2.22 H new ATOM 0 HA VAL A 48 31.998 -13.692 14.448 1.00 3.34 H new ATOM 0 HB VAL A 48 32.875 -12.574 16.400 1.00 51.11 H new ATOM 0 HG11 VAL A 48 31.798 -12.805 18.634 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.734 -11.959 17.486 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.436 -13.668 17.882 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.365 -14.556 17.843 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.025 -15.439 17.072 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.454 -14.978 16.116 1.00 41.53 H new ATOM 778 N LEU A 49 29.264 -14.458 16.111 1.00 54.44 N ATOM 779 CA LEU A 49 28.239 -15.471 16.311 1.00 52.43 C ATOM 780 C LEU A 49 27.368 -15.695 15.086 1.00 2.01 C ATOM 781 O LEU A 49 26.911 -16.809 14.849 1.00 62.52 O ATOM 782 CB LEU A 49 27.395 -15.166 17.546 1.00 62.41 C ATOM 783 CG LEU A 49 28.269 -15.322 18.805 1.00 55.31 C ATOM 784 CD1 LEU A 49 27.506 -14.844 20.036 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.642 -16.799 18.992 1.00 21.42 C ATOM 0 H LEU A 49 29.082 -13.580 16.597 1.00 54.44 H new ATOM 0 HA LEU A 49 28.767 -16.409 16.480 1.00 52.43 H new ATOM 0 HB2 LEU A 49 26.996 -14.153 17.488 1.00 62.41 H new ATOM 0 HB3 LEU A 49 26.542 -15.842 17.595 1.00 62.41 H new ATOM 0 HG LEU A 49 29.171 -14.723 18.683 1.00 55.31 H new ATOM 0 HD11 LEU A 49 28.133 -14.959 20.920 1.00 45.40 H new ATOM 0 HD12 LEU A 49 27.240 -13.794 19.914 1.00 45.40 H new ATOM 0 HD13 LEU A 49 26.599 -15.437 20.155 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.260 -16.908 19.883 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.734 -17.392 19.105 1.00 21.42 H new ATOM 0 HD23 LEU A 49 29.197 -17.147 18.121 1.00 21.42 H new ATOM 797 N GLN A 50 27.056 -14.625 14.358 1.00 62.55 N ATOM 798 CA GLN A 50 26.155 -14.763 13.219 1.00 24.52 C ATOM 799 C GLN A 50 26.759 -15.619 12.125 1.00 43.40 C ATOM 800 O GLN A 50 27.283 -15.106 11.130 1.00 65.42 O ATOM 801 CB GLN A 50 25.737 -13.415 12.641 1.00 53.50 C ATOM 802 CG GLN A 50 24.798 -12.687 13.599 1.00 42.03 C ATOM 803 CD GLN A 50 24.167 -11.519 12.861 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.648 -11.704 11.761 1.00 22.04 O ATOM 805 NE2 GLN A 50 24.173 -10.335 13.381 1.00 23.53 N ATOM 0 H GLN A 50 27.402 -13.681 14.529 1.00 62.55 H new ATOM 0 HA GLN A 50 25.264 -15.259 13.604 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.620 -12.804 12.454 1.00 53.50 H new ATOM 0 HB3 GLN A 50 25.243 -13.563 11.681 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.027 -13.366 13.963 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.347 -12.332 14.471 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.603 -10.181 14.293 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.748 -9.555 12.879 1.00 23.53 H new ATOM 814 N GLN A 51 26.599 -16.916 12.257 1.00 50.00 N ATOM 815 CA GLN A 51 27.055 -17.831 11.235 1.00 5.12 C ATOM 816 C GLN A 51 25.866 -18.265 10.416 1.00 24.14 C ATOM 817 O GLN A 51 25.047 -19.050 10.887 1.00 52.33 O ATOM 818 CB GLN A 51 27.659 -19.066 11.887 1.00 32.34 C ATOM 819 CG GLN A 51 28.829 -18.672 12.782 1.00 40.52 C ATOM 820 CD GLN A 51 29.256 -19.887 13.576 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.358 -20.399 13.399 1.00 2.14 O ATOM 822 NE2 GLN A 51 28.437 -20.388 14.438 1.00 64.45 N ATOM 0 H GLN A 51 26.157 -17.361 13.061 1.00 50.00 H new ATOM 0 HA GLN A 51 27.801 -17.339 10.610 1.00 5.12 H new ATOM 0 HB2 GLN A 51 26.901 -19.583 12.475 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.997 -19.762 11.120 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.659 -18.302 12.180 1.00 40.52 H new ATOM 0 HG3 GLN A 51 28.537 -17.864 13.453 1.00 40.52 H new ATOM 0 HE21 GLN A 51 27.523 -19.959 14.582 1.00 64.45 H new ATOM 0 HE22 GLN A 51 28.704 -21.213 14.976 1.00 64.45 H new ATOM 831 N TRP A 52 25.791 -17.801 9.193 1.00 42.04 N ATOM 832 CA TRP A 52 24.711 -18.202 8.313 1.00 31.04 C ATOM 833 C TRP A 52 25.179 -19.366 7.472 1.00 72.42 C ATOM 834 O TRP A 52 26.308 -19.351 6.974 1.00 1.43 O ATOM 835 CB TRP A 52 24.302 -17.032 7.413 1.00 75.43 C ATOM 836 CG TRP A 52 23.511 -16.028 8.199 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.991 -15.267 9.213 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.117 -15.658 8.038 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.970 -14.455 9.685 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.795 -14.663 8.988 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.106 -16.092 7.166 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.515 -14.119 9.069 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.817 -15.545 7.243 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.526 -14.559 8.192 1.00 64.43 C ATOM 0 H TRP A 52 26.459 -17.149 8.782 1.00 42.04 H new ATOM 0 HA TRP A 52 23.845 -18.499 8.904 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.190 -16.559 6.993 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.709 -17.398 6.575 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.002 -15.289 9.591 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.074 -13.788 10.450 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.322 -16.853 6.431 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.291 -13.362 9.806 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.046 -15.886 6.568 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.533 -14.138 8.245 1.00 64.43 H new ATOM 855 N VAL A 53 24.349 -20.384 7.349 1.00 64.50 N ATOM 856 CA VAL A 53 24.729 -21.561 6.586 1.00 13.22 C ATOM 857 C VAL A 53 23.683 -21.851 5.519 1.00 24.40 C ATOM 858 O VAL A 53 22.509 -22.078 5.831 1.00 52.11 O ATOM 859 CB VAL A 53 24.874 -22.769 7.532 1.00 15.40 C ATOM 860 CG1 VAL A 53 25.068 -24.061 6.729 1.00 70.32 C ATOM 861 CG2 VAL A 53 26.073 -22.553 8.466 1.00 70.32 C ATOM 0 H VAL A 53 23.417 -20.422 7.762 1.00 64.50 H new ATOM 0 HA VAL A 53 25.685 -21.377 6.096 1.00 13.22 H new ATOM 0 HB VAL A 53 23.963 -22.861 8.124 1.00 15.40 H new ATOM 0 HG11 VAL A 53 25.169 -24.903 7.414 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.205 -24.220 6.082 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.968 -23.979 6.120 1.00 70.32 H new ATOM 0 HG21 VAL A 53 26.173 -23.409 9.134 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.982 -22.447 7.873 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.917 -21.649 9.055 1.00 70.32 H new ATOM 871 N ILE A 54 24.124 -21.922 4.273 1.00 31.32 N ATOM 872 CA ILE A 54 23.245 -22.268 3.177 1.00 2.42 C ATOM 873 C ILE A 54 23.840 -23.498 2.485 1.00 55.44 C ATOM 874 O ILE A 54 25.034 -23.517 2.197 1.00 64.42 O ATOM 875 CB ILE A 54 23.131 -21.085 2.190 1.00 61.22 C ATOM 876 CG1 ILE A 54 23.135 -19.745 2.960 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.791 -21.189 1.454 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.867 -19.606 3.814 1.00 33.44 C ATOM 0 H ILE A 54 25.090 -21.743 3.999 1.00 31.32 H new ATOM 0 HA ILE A 54 22.241 -22.488 3.540 1.00 2.42 H new ATOM 0 HB ILE A 54 23.972 -21.120 1.498 1.00 61.22 H new ATOM 0 HG12 ILE A 54 24.017 -19.689 3.598 1.00 70.55 H new ATOM 0 HG13 ILE A 54 23.198 -18.915 2.256 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.696 -20.360 0.753 1.00 73.52 H new ATOM 0 HG22 ILE A 54 21.747 -22.132 0.909 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.975 -21.149 2.176 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.890 -18.656 4.348 1.00 33.44 H new ATOM 0 HD12 ILE A 54 20.989 -19.639 3.169 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.821 -20.425 4.532 1.00 33.44 H new ATOM 991 N ASP A 61 27.830 -12.398 2.412 1.00 5.24 N ATOM 992 CA ASP A 61 27.153 -11.227 2.929 1.00 62.30 C ATOM 993 C ASP A 61 26.792 -10.351 1.766 1.00 23.25 C ATOM 994 O ASP A 61 25.803 -9.621 1.789 1.00 41.02 O ATOM 995 CB ASP A 61 28.101 -10.433 3.843 1.00 4.03 C ATOM 996 CG ASP A 61 28.095 -10.977 5.255 1.00 13.24 C ATOM 997 OD1 ASP A 61 27.209 -11.730 5.591 1.00 33.05 O ATOM 998 OD2 ASP A 61 28.981 -10.639 5.990 1.00 24.14 O ATOM 0 HA ASP A 61 26.271 -11.532 3.492 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.113 -10.473 3.441 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.803 -9.384 3.855 1.00 4.03 H new ATOM 1003 N GLN A 62 27.696 -10.359 0.795 1.00 12.52 N ATOM 1004 CA GLN A 62 27.642 -9.517 -0.384 1.00 34.33 C ATOM 1005 C GLN A 62 26.505 -9.906 -1.318 1.00 44.45 C ATOM 1006 O GLN A 62 25.959 -9.056 -2.024 1.00 1.43 O ATOM 1007 CB GLN A 62 28.969 -9.631 -1.116 1.00 0.02 C ATOM 1008 CG GLN A 62 30.073 -9.043 -0.235 1.00 25.23 C ATOM 1009 CD GLN A 62 31.443 -9.348 -0.832 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.545 -9.988 -1.882 1.00 1.45 O ATOM 1011 NE2 GLN A 62 32.509 -8.938 -0.229 1.00 15.21 N ATOM 0 H GLN A 62 28.511 -10.972 0.811 1.00 12.52 H new ATOM 0 HA GLN A 62 27.458 -8.491 -0.066 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.185 -10.675 -1.345 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.922 -9.100 -2.067 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.940 -7.965 -0.144 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.006 -9.459 0.770 1.00 25.23 H new ATOM 0 HE21 GLN A 62 32.432 -8.408 0.639 1.00 15.21 H new ATOM 0 HE22 GLN A 62 33.428 -9.144 -0.621 1.00 15.21 H new ATOM 1020 N GLU A 63 26.208 -11.195 -1.386 1.00 4.31 N ATOM 1021 CA GLU A 63 25.185 -11.676 -2.304 1.00 63.23 C ATOM 1022 C GLU A 63 23.789 -11.237 -1.906 1.00 22.23 C ATOM 1023 O GLU A 63 23.506 -10.974 -0.722 1.00 10.12 O ATOM 1024 CB GLU A 63 25.244 -13.198 -2.472 1.00 4.24 C ATOM 1025 CG GLU A 63 26.330 -13.564 -3.490 1.00 13.54 C ATOM 1026 CD GLU A 63 25.937 -13.069 -4.878 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.753 -13.029 -5.171 1.00 33.23 O ATOM 1028 OE2 GLU A 63 26.822 -12.720 -5.629 1.00 51.42 O ATOM 0 H GLU A 63 26.654 -11.920 -0.824 1.00 4.31 H new ATOM 0 HA GLU A 63 25.406 -11.217 -3.267 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.456 -13.671 -1.513 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.277 -13.574 -2.806 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.281 -13.121 -3.194 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.473 -14.644 -3.508 1.00 13.54 H new ATOM 1035 N THR A 64 22.909 -11.210 -2.894 1.00 35.12 N ATOM 1036 CA THR A 64 21.524 -10.871 -2.681 1.00 71.14 C ATOM 1037 C THR A 64 20.858 -11.947 -1.852 1.00 54.02 C ATOM 1038 O THR A 64 21.315 -13.089 -1.823 1.00 2.04 O ATOM 1039 CB THR A 64 20.808 -10.736 -4.034 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.598 -11.349 -5.066 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.572 -9.263 -4.366 1.00 70.13 C ATOM 0 H THR A 64 23.142 -11.424 -3.864 1.00 35.12 H new ATOM 0 HA THR A 64 21.464 -9.921 -2.150 1.00 71.14 H new ATOM 0 HB THR A 64 19.843 -11.239 -3.972 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.707 -12.303 -4.871 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.064 -9.184 -5.327 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.954 -8.810 -3.591 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.529 -8.744 -4.417 1.00 70.13 H new ATOM 1049 N LEU A 65 19.768 -11.604 -1.212 1.00 11.25 N ATOM 1050 CA LEU A 65 19.056 -12.581 -0.431 1.00 22.02 C ATOM 1051 C LEU A 65 18.537 -13.684 -1.339 1.00 11.33 C ATOM 1052 O LEU A 65 18.735 -14.872 -1.063 1.00 62.22 O ATOM 1053 CB LEU A 65 17.942 -11.920 0.380 1.00 34.52 C ATOM 1054 CG LEU A 65 18.584 -11.000 1.436 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.498 -10.286 2.225 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.461 -11.814 2.397 1.00 30.03 C ATOM 0 H LEU A 65 19.360 -10.669 -1.216 1.00 11.25 H new ATOM 0 HA LEU A 65 19.736 -13.037 0.289 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.287 -11.345 -0.275 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.325 -12.678 0.863 1.00 34.52 H new ATOM 0 HG LEU A 65 19.207 -10.267 0.924 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.957 -9.637 2.970 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.890 -9.687 1.547 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.867 -11.022 2.724 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.906 -11.148 3.136 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.850 -12.561 2.903 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.251 -12.312 1.835 1.00 30.03 H new ATOM 1068 N HIS A 66 18.060 -13.291 -2.504 1.00 73.23 N ATOM 1069 CA HIS A 66 17.634 -14.246 -3.515 1.00 34.14 C ATOM 1070 C HIS A 66 18.755 -15.227 -3.801 1.00 10.32 C ATOM 1071 O HIS A 66 18.511 -16.427 -3.991 1.00 1.13 O ATOM 1072 CB HIS A 66 17.246 -13.505 -4.803 1.00 25.42 C ATOM 1073 CG HIS A 66 16.761 -14.466 -5.864 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.124 -15.808 -5.896 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.942 -14.276 -6.945 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.530 -16.358 -6.969 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.798 -15.467 -7.641 1.00 53.54 N ATOM 0 H HIS A 66 17.956 -12.314 -2.777 1.00 73.23 H new ATOM 0 HA HIS A 66 16.767 -14.794 -3.145 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.465 -12.776 -4.585 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.105 -12.949 -5.178 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.729 -16.286 -5.229 1.00 11.11 H new ATOM 0 HD2 HIS A 66 15.478 -13.339 -7.215 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.633 -17.395 -7.253 1.00 44.55 H new ATOM 1086 N SER A 67 19.973 -14.726 -3.846 1.00 14.51 N ATOM 1087 CA SER A 67 21.128 -15.560 -4.132 1.00 21.22 C ATOM 1088 C SER A 67 21.201 -16.715 -3.137 1.00 5.04 C ATOM 1089 O SER A 67 21.693 -17.797 -3.465 1.00 31.30 O ATOM 1090 CB SER A 67 22.412 -14.737 -4.023 1.00 53.23 C ATOM 1091 OG SER A 67 22.305 -13.547 -4.812 1.00 52.30 O ATOM 0 H SER A 67 20.191 -13.742 -3.688 1.00 14.51 H new ATOM 0 HA SER A 67 21.026 -15.951 -5.144 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.598 -14.476 -2.981 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.262 -15.330 -4.360 1.00 53.23 H new ATOM 0 HG SER A 67 23.127 -13.423 -5.331 1.00 52.30 H new ATOM 1097 N HIS A 68 20.759 -16.462 -1.913 1.00 71.23 N ATOM 1098 CA HIS A 68 20.850 -17.449 -0.856 1.00 44.15 C ATOM 1099 C HIS A 68 19.668 -18.405 -0.896 1.00 51.40 C ATOM 1100 O HIS A 68 19.629 -19.393 -0.160 1.00 71.43 O ATOM 1101 CB HIS A 68 20.987 -16.756 0.503 1.00 24.14 C ATOM 1102 CG HIS A 68 22.163 -15.809 0.426 1.00 33.13 C ATOM 1103 ND1 HIS A 68 22.247 -14.441 0.426 1.00 40.22 N flip ATOM 1104 CD2 HIS A 68 23.460 -16.259 0.283 1.00 74.41 C flip ATOM 1105 CE1 HIS A 68 23.576 -14.047 0.283 1.00 31.20 C flip ATOM 1106 NE2 HIS A 68 24.261 -15.183 0.201 1.00 62.11 N flip ATOM 0 H HIS A 68 20.334 -15.579 -1.631 1.00 71.23 H new ATOM 0 HA HIS A 68 21.745 -18.051 -1.013 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.075 -16.212 0.747 1.00 24.14 H new ATOM 0 HB3 HIS A 68 21.141 -17.492 1.293 1.00 24.14 H new ATOM 0 HD2 HIS A 68 23.775 -17.291 0.244 1.00 74.41 H new ATOM 0 HE1 HIS A 68 23.964 -13.040 0.247 1.00 31.20 H new ATOM 0 HE2 HIS A 68 25.274 -15.232 0.089 1.00 62.11 H new ATOM 1115 N GLY A 69 18.739 -18.143 -1.808 1.00 24.31 N ATOM 1116 CA GLY A 69 17.590 -19.016 -2.003 1.00 1.43 C ATOM 1117 C GLY A 69 16.338 -18.451 -1.358 1.00 24.22 C ATOM 1118 O GLY A 69 15.245 -18.982 -1.552 1.00 54.34 O ATOM 0 H GLY A 69 18.760 -17.331 -2.425 1.00 24.31 H new ATOM 0 HA2 GLY A 69 17.417 -19.157 -3.070 1.00 1.43 H new ATOM 0 HA3 GLY A 69 17.804 -19.998 -1.582 1.00 1.43 H new ATOM 1122 N VAL A 70 16.473 -17.328 -0.677 1.00 14.11 N ATOM 1123 CA VAL A 70 15.316 -16.676 -0.103 1.00 2.23 C ATOM 1124 C VAL A 70 14.709 -15.732 -1.135 1.00 63.41 C ATOM 1125 O VAL A 70 15.312 -14.721 -1.504 1.00 21.42 O ATOM 1126 CB VAL A 70 15.701 -15.952 1.203 1.00 22.03 C ATOM 1127 CG1 VAL A 70 16.942 -15.092 1.002 1.00 73.22 C ATOM 1128 CG2 VAL A 70 14.542 -15.092 1.701 1.00 4.51 C ATOM 0 H VAL A 70 17.361 -16.855 -0.510 1.00 14.11 H new ATOM 0 HA VAL A 70 14.560 -17.416 0.160 1.00 2.23 H new ATOM 0 HB VAL A 70 15.924 -16.710 1.954 1.00 22.03 H new ATOM 0 HG11 VAL A 70 17.193 -14.592 1.937 1.00 73.22 H new ATOM 0 HG12 VAL A 70 17.775 -15.723 0.692 1.00 73.22 H new ATOM 0 HG13 VAL A 70 16.747 -14.345 0.232 1.00 73.22 H new ATOM 0 HG21 VAL A 70 14.832 -14.589 2.623 1.00 4.51 H new ATOM 0 HG22 VAL A 70 14.290 -14.348 0.945 1.00 4.51 H new ATOM 0 HG23 VAL A 70 13.675 -15.725 1.890 1.00 4.51 H new ATOM 1138 N ARG A 71 13.596 -16.150 -1.707 1.00 60.24 N ATOM 1139 CA ARG A 71 12.979 -15.431 -2.817 1.00 5.14 C ATOM 1140 C ARG A 71 11.586 -14.986 -2.443 1.00 73.44 C ATOM 1141 O ARG A 71 11.105 -13.948 -2.898 1.00 42.30 O ATOM 1142 CB ARG A 71 12.878 -16.350 -4.037 1.00 72.31 C ATOM 1143 CG ARG A 71 14.174 -17.157 -4.202 1.00 42.42 C ATOM 1144 CD ARG A 71 13.806 -18.628 -4.405 1.00 13.23 C ATOM 1145 NE ARG A 71 13.086 -19.142 -3.226 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.450 -20.314 -3.251 1.00 42.14 C ATOM 1147 NH1 ARG A 71 12.451 -21.029 -4.335 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.836 -20.741 -2.197 1.00 31.11 N ATOM 0 H ARG A 71 13.093 -16.990 -1.422 1.00 60.24 H new ATOM 0 HA ARG A 71 13.595 -14.562 -3.047 1.00 5.14 H new ATOM 0 HB2 ARG A 71 12.032 -17.027 -3.922 1.00 72.31 H new ATOM 0 HB3 ARG A 71 12.693 -15.758 -4.933 1.00 72.31 H new ATOM 0 HG2 ARG A 71 14.744 -16.788 -5.054 1.00 42.42 H new ATOM 0 HG3 ARG A 71 14.806 -17.043 -3.322 1.00 42.42 H new ATOM 0 HD2 ARG A 71 13.185 -18.735 -5.294 1.00 13.23 H new ATOM 0 HD3 ARG A 71 14.708 -19.216 -4.574 1.00 13.23 H new ATOM 0 HE ARG A 71 13.074 -18.588 -2.370 1.00 43.00 H new ATOM 0 HH11 ARG A 71 12.938 -20.694 -5.166 1.00 15.55 H new ATOM 0 HH12 ARG A 71 11.965 -21.925 -4.355 1.00 15.55 H new ATOM 0 HH21 ARG A 71 11.837 -20.181 -1.344 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.350 -21.638 -2.218 1.00 31.11 H new ATOM 1162 N GLN A 72 10.908 -15.818 -1.680 1.00 22.33 N ATOM 1163 CA GLN A 72 9.536 -15.547 -1.293 1.00 11.22 C ATOM 1164 C GLN A 72 9.384 -15.578 0.193 1.00 63.41 C ATOM 1165 O GLN A 72 10.075 -16.331 0.881 1.00 54.20 O ATOM 1166 CB GLN A 72 8.580 -16.576 -1.898 1.00 72.22 C ATOM 1167 CG GLN A 72 8.437 -16.367 -3.390 1.00 11.44 C ATOM 1168 CD GLN A 72 7.579 -17.481 -3.962 1.00 64.24 C ATOM 1169 OE1 GLN A 72 6.352 -17.377 -3.976 1.00 55.53 O ATOM 1170 NE2 GLN A 72 8.141 -18.552 -4.404 1.00 55.43 N ATOM 0 H GLN A 72 11.285 -16.692 -1.313 1.00 22.33 H new ATOM 0 HA GLN A 72 9.289 -14.554 -1.668 1.00 11.22 H new ATOM 0 HB2 GLN A 72 8.950 -17.582 -1.701 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.604 -16.496 -1.420 1.00 72.22 H new ATOM 0 HG2 GLN A 72 7.981 -15.398 -3.593 1.00 11.44 H new ATOM 0 HG3 GLN A 72 9.418 -16.364 -3.866 1.00 11.44 H new ATOM 0 HE21 GLN A 72 9.157 -18.637 -4.392 1.00 55.43 H new ATOM 0 HE22 GLN A 72 7.570 -19.315 -4.766 1.00 55.43 H new ATOM 1179 N ASN A 73 8.352 -14.915 0.667 1.00 71.53 N ATOM 1180 CA ASN A 73 7.996 -15.023 2.062 1.00 20.42 C ATOM 1181 C ASN A 73 7.649 -16.467 2.343 1.00 52.02 C ATOM 1182 O ASN A 73 6.956 -17.106 1.548 1.00 44.32 O ATOM 1183 CB ASN A 73 6.811 -14.110 2.401 1.00 43.42 C ATOM 1184 CG ASN A 73 5.539 -14.611 1.725 1.00 52.31 C ATOM 1185 OD1 ASN A 73 4.840 -15.466 2.274 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.189 -14.127 0.572 1.00 55.51 N ATOM 0 H ASN A 73 7.752 -14.303 0.114 1.00 71.53 H new ATOM 0 HA ASN A 73 8.834 -14.706 2.683 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.667 -14.077 3.481 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.025 -13.091 2.077 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.335 -14.454 0.120 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.768 -13.420 0.119 1.00 55.51 H new ATOM 1193 N GLY A 74 8.224 -17.013 3.388 1.00 42.33 N ATOM 1194 CA GLY A 74 8.056 -18.422 3.677 1.00 72.21 C ATOM 1195 C GLY A 74 9.366 -19.165 3.496 1.00 53.51 C ATOM 1196 O GLY A 74 9.516 -20.297 3.959 1.00 53.41 O ATOM 0 H GLY A 74 8.811 -16.507 4.052 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.698 -18.549 4.699 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.298 -18.846 3.019 1.00 72.21 H new ATOM 1200 N ASP A 75 10.336 -18.509 2.861 1.00 74.32 N ATOM 1201 CA ASP A 75 11.666 -19.088 2.714 1.00 40.23 C ATOM 1202 C ASP A 75 12.375 -19.072 4.060 1.00 33.23 C ATOM 1203 O ASP A 75 12.091 -18.220 4.914 1.00 22.31 O ATOM 1204 CB ASP A 75 12.500 -18.365 1.628 1.00 54.44 C ATOM 1205 CG ASP A 75 12.110 -18.844 0.222 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.571 -19.935 0.104 1.00 41.44 O ATOM 1207 OD2 ASP A 75 12.366 -18.129 -0.731 1.00 43.04 O ATOM 0 H ASP A 75 10.226 -17.585 2.444 1.00 74.32 H new ATOM 0 HA ASP A 75 11.557 -20.119 2.379 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.347 -17.288 1.704 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.561 -18.549 1.797 1.00 54.44 H new ATOM 1212 N SER A 76 13.187 -20.071 4.298 1.00 54.11 N ATOM 1213 CA SER A 76 13.820 -20.239 5.594 1.00 54.23 C ATOM 1214 C SER A 76 15.339 -20.341 5.431 1.00 1.51 C ATOM 1215 O SER A 76 15.824 -20.784 4.386 1.00 74.44 O ATOM 1216 CB SER A 76 13.270 -21.504 6.264 1.00 52.41 C ATOM 1217 OG SER A 76 11.917 -21.728 5.823 1.00 21.32 O ATOM 0 H SER A 76 13.430 -20.786 3.612 1.00 54.11 H new ATOM 0 HA SER A 76 13.600 -19.374 6.220 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.893 -22.362 6.013 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.298 -21.396 7.348 1.00 52.41 H new ATOM 0 HG SER A 76 11.332 -21.038 6.200 1.00 21.32 H new ATOM 1223 N ALA A 77 16.083 -19.906 6.446 1.00 33.13 N ATOM 1224 CA ALA A 77 17.550 -19.929 6.396 1.00 74.42 C ATOM 1225 C ALA A 77 18.134 -20.524 7.673 1.00 71.15 C ATOM 1226 O ALA A 77 17.403 -20.787 8.641 1.00 14.41 O ATOM 1227 CB ALA A 77 18.110 -18.519 6.171 1.00 5.24 C ATOM 0 H ALA A 77 15.698 -19.533 7.314 1.00 33.13 H new ATOM 0 HA ALA A 77 17.841 -20.560 5.556 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.199 -18.561 6.138 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.733 -18.124 5.228 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.797 -17.869 6.988 1.00 5.24 H new ATOM 1233 N TYR A 78 19.437 -20.781 7.647 1.00 12.02 N ATOM 1234 CA TYR A 78 20.144 -21.395 8.771 1.00 11.21 C ATOM 1235 C TYR A 78 21.169 -20.430 9.356 1.00 11.53 C ATOM 1236 O TYR A 78 22.082 -19.980 8.647 1.00 70.42 O ATOM 1237 CB TYR A 78 20.872 -22.659 8.291 1.00 33.45 C ATOM 1238 CG TYR A 78 20.463 -23.856 9.116 1.00 43.33 C ATOM 1239 CD1 TYR A 78 20.767 -23.915 10.485 1.00 21.22 C ATOM 1240 CD2 TYR A 78 19.790 -24.911 8.501 1.00 61.00 C ATOM 1241 CE1 TYR A 78 20.385 -25.036 11.228 1.00 41.13 C ATOM 1242 CE2 TYR A 78 19.414 -26.021 9.244 1.00 1.34 C ATOM 1243 CZ TYR A 78 19.707 -26.091 10.604 1.00 43.02 C ATOM 1244 OH TYR A 78 19.321 -27.202 11.329 1.00 40.42 O ATOM 0 H TYR A 78 20.035 -20.571 6.848 1.00 12.02 H new ATOM 0 HA TYR A 78 19.413 -21.648 9.539 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.643 -22.840 7.241 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.950 -22.513 8.362 1.00 33.45 H new ATOM 0 HD1 TYR A 78 21.292 -23.100 10.961 1.00 21.22 H new ATOM 0 HD2 TYR A 78 19.561 -24.864 7.447 1.00 61.00 H new ATOM 0 HE1 TYR A 78 20.613 -25.089 12.282 1.00 41.13 H new ATOM 0 HE2 TYR A 78 18.891 -26.836 8.765 1.00 1.34 H new ATOM 0 HH TYR A 78 19.237 -26.962 12.275 1.00 40.42 H new ATOM 1254 N LEU A 79 21.090 -20.213 10.661 1.00 25.24 N ATOM 1255 CA LEU A 79 22.065 -19.410 11.385 1.00 53.21 C ATOM 1256 C LEU A 79 22.643 -20.235 12.528 1.00 53.55 C ATOM 1257 O LEU A 79 21.902 -20.898 13.251 1.00 62.25 O ATOM 1258 CB LEU A 79 21.399 -18.144 11.928 1.00 53.33 C ATOM 1259 CG LEU A 79 22.448 -17.162 12.472 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.890 -15.741 12.402 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.778 -17.499 13.930 1.00 71.21 C ATOM 0 H LEU A 79 20.346 -20.590 11.249 1.00 25.24 H new ATOM 0 HA LEU A 79 22.869 -19.115 10.711 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.822 -17.664 11.137 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.698 -18.408 12.719 1.00 53.33 H new ATOM 0 HG LEU A 79 23.354 -17.239 11.871 1.00 44.43 H new ATOM 0 HD11 LEU A 79 22.631 -15.040 12.787 1.00 75.51 H new ATOM 0 HD12 LEU A 79 21.658 -15.492 11.367 1.00 75.51 H new ATOM 0 HD13 LEU A 79 20.983 -15.676 13.003 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.522 -16.797 14.306 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.873 -17.427 14.534 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.173 -18.513 13.989 1.00 71.21 H new ATOM 1273 N TYR A 80 23.954 -20.255 12.659 1.00 5.12 N ATOM 1274 CA TYR A 80 24.588 -21.049 13.705 1.00 41.02 C ATOM 1275 C TYR A 80 25.244 -20.172 14.752 1.00 42.44 C ATOM 1276 O TYR A 80 26.047 -19.304 14.426 1.00 55.24 O ATOM 1277 CB TYR A 80 25.607 -22.037 13.120 1.00 20.13 C ATOM 1278 CG TYR A 80 25.300 -23.408 13.660 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.634 -23.726 14.982 1.00 32.42 C ATOM 1280 CD2 TYR A 80 24.662 -24.352 12.851 1.00 60.13 C ATOM 1281 CE1 TYR A 80 25.330 -24.986 15.490 1.00 4.45 C ATOM 1282 CE2 TYR A 80 24.352 -25.609 13.363 1.00 34.21 C ATOM 1283 CZ TYR A 80 24.687 -25.926 14.682 1.00 1.20 C ATOM 1284 OH TYR A 80 24.373 -27.163 15.188 1.00 2.11 O ATOM 0 H TYR A 80 24.600 -19.738 12.063 1.00 5.12 H new ATOM 0 HA TYR A 80 23.798 -21.621 14.191 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.554 -22.037 12.031 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.621 -21.741 13.390 1.00 20.13 H new ATOM 0 HD1 TYR A 80 26.126 -22.995 15.606 1.00 32.42 H new ATOM 0 HD2 TYR A 80 24.410 -24.107 11.830 1.00 60.13 H new ATOM 0 HE1 TYR A 80 25.591 -25.236 16.508 1.00 4.45 H new ATOM 0 HE2 TYR A 80 23.853 -26.338 12.742 1.00 34.21 H new ATOM 0 HH TYR A 80 23.622 -27.542 14.684 1.00 2.11 H new ATOM 1294 N LEU A 81 24.947 -20.440 16.010 1.00 0.03 N ATOM 1295 CA LEU A 81 25.536 -19.688 17.106 1.00 31.14 C ATOM 1296 C LEU A 81 26.531 -20.542 17.869 1.00 52.43 C ATOM 1297 O LEU A 81 26.297 -21.725 18.110 1.00 25.33 O ATOM 1298 CB LEU A 81 24.451 -19.170 18.064 1.00 11.44 C ATOM 1299 CG LEU A 81 23.507 -18.202 17.336 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.360 -17.808 18.270 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.263 -16.936 16.939 1.00 62.13 C ATOM 0 H LEU A 81 24.301 -21.174 16.300 1.00 0.03 H new ATOM 0 HA LEU A 81 26.059 -18.833 16.678 1.00 31.14 H new ATOM 0 HB2 LEU A 81 23.882 -20.008 18.466 1.00 11.44 H new ATOM 0 HB3 LEU A 81 24.916 -18.665 18.911 1.00 11.44 H new ATOM 0 HG LEU A 81 23.117 -18.695 16.445 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.690 -17.121 17.753 1.00 74.33 H new ATOM 0 HD12 LEU A 81 21.808 -18.700 18.565 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.764 -17.322 19.158 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.586 -16.255 16.423 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.655 -16.451 17.833 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.089 -17.198 16.277 1.00 62.13 H new ATOM 1313 N LEU A 82 27.623 -19.931 18.262 1.00 41.20 N ATOM 1314 CA LEU A 82 28.662 -20.615 19.033 1.00 33.24 C ATOM 1315 C LEU A 82 28.628 -20.155 20.475 1.00 52.35 C ATOM 1316 O LEU A 82 27.935 -19.197 20.806 1.00 61.23 O ATOM 1317 CB LEU A 82 30.054 -20.363 18.434 1.00 34.41 C ATOM 1318 CG LEU A 82 30.103 -20.884 16.989 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.471 -20.586 16.366 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.835 -22.396 16.952 1.00 74.54 C ATOM 0 H LEU A 82 27.826 -18.951 18.063 1.00 41.20 H new ATOM 0 HA LEU A 82 28.463 -21.686 18.992 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.280 -19.297 18.453 1.00 34.41 H new ATOM 0 HB3 LEU A 82 30.814 -20.861 19.036 1.00 34.41 H new ATOM 0 HG LEU A 82 29.329 -20.375 16.414 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.494 -20.960 15.342 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.643 -19.510 16.363 1.00 4.22 H new ATOM 0 HD13 LEU A 82 32.251 -21.076 16.949 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.874 -22.747 15.921 1.00 74.54 H new ATOM 0 HD22 LEU A 82 30.592 -22.914 17.540 1.00 74.54 H new ATOM 0 HD23 LEU A 82 28.849 -22.601 17.368 1.00 74.54 H new