USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 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 36 LYS NZ :NH3+ -165:sc= 0.933 (180deg=-0.471!) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.95! C(o=-0.018!,f=-17!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.24) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= 0.67 K(o=0.67,f=-7!) 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 133:sc= -1.73 (180deg=-5.48!) USER MOD Single : A 31 THR OG1 : rot 31:sc= -1.38! USER MOD Single : A 34 SER OG : rot 178:sc= -1.23 USER MOD Single : A 38 MET CE :methyl -151:sc= -5.35! (180deg=-9.7!) USER MOD Single : A 43 TYR OH : rot 142:sc= 0.849! USER MOD Single : A 51 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 85:sc= 1.45 USER MOD Single : A 66 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-2.7!) USER MOD Single : A 67 SER OG : rot -107:sc= -0.69 USER MOD Single : A 68 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-12!) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.06 F(o=-3,f=-1.1) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.159 F(o=-0.97,f=-0.16) USER MOD Single : A 76 SER OG : rot -65:sc= 0.324! USER MOD Single : A 78 TYR OH : rot -57:sc= 1.1 USER MOD Single : A 80 TYR OH : rot 180:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.771 -6.047 2.403 1.00 70.34 N ATOM 66 CA ASP A 5 8.970 -6.825 2.198 1.00 52.01 C ATOM 67 C ASP A 5 8.544 -8.284 2.252 1.00 14.04 C ATOM 68 O ASP A 5 7.339 -8.570 2.238 1.00 34.30 O ATOM 69 CB ASP A 5 9.987 -6.534 3.320 1.00 72.04 C ATOM 70 CG ASP A 5 10.774 -5.270 3.032 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.198 -4.325 2.529 1.00 63.22 O ATOM 72 OD2 ASP A 5 11.945 -5.244 3.342 1.00 71.24 O ATOM 0 HA ASP A 5 9.444 -6.581 1.247 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.464 -6.431 4.271 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.671 -7.376 3.422 1.00 72.04 H new ATOM 77 N ILE A 6 9.471 -9.189 2.452 1.00 61.21 N ATOM 78 CA ILE A 6 9.104 -10.573 2.654 1.00 73.32 C ATOM 79 C ILE A 6 9.677 -11.074 3.960 1.00 11.45 C ATOM 80 O ILE A 6 10.651 -10.518 4.480 1.00 13.11 O ATOM 81 CB ILE A 6 9.545 -11.461 1.483 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.067 -11.461 1.339 1.00 42.14 C ATOM 83 CG2 ILE A 6 8.931 -10.933 0.182 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.471 -12.575 0.383 1.00 10.12 C ATOM 0 H ILE A 6 10.473 -8.998 2.480 1.00 61.21 H new ATOM 0 HA ILE A 6 8.016 -10.628 2.700 1.00 73.32 H new ATOM 0 HB ILE A 6 9.206 -12.478 1.681 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.410 -10.498 0.962 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.538 -11.609 2.311 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.244 -11.564 -0.650 1.00 61.31 H new ATOM 0 HG22 ILE A 6 7.844 -10.949 0.260 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.268 -9.911 0.009 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.555 -12.584 0.273 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.138 -13.534 0.780 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.009 -12.405 -0.589 1.00 10.12 H new ATOM 96 N ARG A 7 9.007 -12.055 4.542 1.00 43.32 N ATOM 97 CA ARG A 7 9.385 -12.549 5.846 1.00 44.44 C ATOM 98 C ARG A 7 10.192 -13.824 5.730 1.00 14.40 C ATOM 99 O ARG A 7 9.765 -14.793 5.080 1.00 73.14 O ATOM 100 CB ARG A 7 8.133 -12.744 6.705 1.00 13.53 C ATOM 101 CG ARG A 7 7.518 -11.358 6.926 1.00 74.33 C ATOM 102 CD ARG A 7 6.214 -11.437 7.729 1.00 62.21 C ATOM 103 NE ARG A 7 5.702 -10.080 7.989 1.00 62.41 N ATOM 104 CZ ARG A 7 5.051 -9.360 7.065 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.882 -9.828 5.868 1.00 41.23 N ATOM 106 NH2 ARG A 7 4.597 -8.182 7.358 1.00 33.44 N ATOM 0 H ARG A 7 8.200 -12.522 4.128 1.00 43.32 H new ATOM 0 HA ARG A 7 10.024 -11.814 6.335 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.424 -13.405 6.207 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.388 -13.209 7.657 1.00 13.53 H new ATOM 0 HG2 ARG A 7 8.231 -10.723 7.452 1.00 74.33 H new ATOM 0 HG3 ARG A 7 7.324 -10.888 5.962 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.472 -12.016 7.178 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.388 -11.956 8.671 1.00 62.21 H new ATOM 0 HE ARG A 7 5.849 -9.671 8.912 1.00 62.41 H new ATOM 0 HH11 ARG A 7 5.245 -10.749 5.625 1.00 41.23 H new ATOM 0 HH12 ARG A 7 4.386 -9.275 5.170 1.00 41.23 H new ATOM 0 HH21 ARG A 7 4.735 -7.801 8.294 1.00 33.44 H new ATOM 0 HH22 ARG A 7 4.102 -7.636 6.653 1.00 33.44 H new ATOM 120 N LEU A 8 11.372 -13.785 6.317 1.00 14.31 N ATOM 121 CA LEU A 8 12.331 -14.868 6.277 1.00 32.33 C ATOM 122 C LEU A 8 12.483 -15.470 7.656 1.00 71.45 C ATOM 123 O LEU A 8 12.760 -14.746 8.626 1.00 32.14 O ATOM 124 CB LEU A 8 13.697 -14.316 5.815 1.00 51.41 C ATOM 125 CG LEU A 8 14.791 -15.404 5.895 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.562 -16.472 4.832 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.165 -14.772 5.690 1.00 70.54 C ATOM 0 H LEU A 8 11.697 -12.977 6.848 1.00 14.31 H new ATOM 0 HA LEU A 8 11.982 -15.634 5.584 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.618 -13.950 4.791 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.979 -13.466 6.437 1.00 51.41 H new ATOM 0 HG LEU A 8 14.744 -15.869 6.880 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.342 -17.230 4.904 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.589 -16.937 4.988 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.591 -16.014 3.843 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.933 -15.544 5.747 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.203 -14.294 4.711 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.342 -14.026 6.465 1.00 70.54 H new ATOM 139 N TRP A 9 12.422 -16.788 7.735 1.00 31.14 N ATOM 140 CA TRP A 9 12.708 -17.468 8.989 1.00 63.14 C ATOM 141 C TRP A 9 14.150 -17.889 8.978 1.00 61.44 C ATOM 142 O TRP A 9 14.609 -18.517 8.011 1.00 73.50 O ATOM 143 CB TRP A 9 11.859 -18.732 9.152 1.00 41.11 C ATOM 144 CG TRP A 9 10.447 -18.476 8.788 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.708 -17.422 9.186 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.599 -19.282 7.950 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.443 -17.546 8.641 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.333 -18.677 7.864 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.813 -20.477 7.260 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.306 -19.242 7.120 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.794 -21.053 6.502 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.536 -20.433 6.429 1.00 21.20 C ATOM 0 H TRP A 9 12.181 -17.403 6.958 1.00 31.14 H new ATOM 0 HA TRP A 9 12.484 -16.783 9.807 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.261 -19.527 8.524 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.915 -19.081 10.183 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.046 -16.617 9.822 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.685 -16.881 8.796 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.777 -20.960 7.314 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.338 -18.765 7.076 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.972 -21.976 5.971 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.748 -20.877 5.839 1.00 21.20 H new ATOM 163 N VAL A 10 14.842 -17.652 10.057 1.00 73.13 N ATOM 164 CA VAL A 10 16.198 -18.117 10.161 1.00 21.41 C ATOM 165 C VAL A 10 16.298 -19.096 11.310 1.00 54.12 C ATOM 166 O VAL A 10 15.912 -18.780 12.444 1.00 12.11 O ATOM 167 CB VAL A 10 17.158 -16.936 10.367 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.610 -17.431 10.360 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.963 -15.905 9.250 1.00 2.31 C ATOM 0 H VAL A 10 14.494 -17.144 10.871 1.00 73.13 H new ATOM 0 HA VAL A 10 16.482 -18.619 9.236 1.00 21.41 H new ATOM 0 HB VAL A 10 16.943 -16.471 11.329 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.283 -16.586 10.507 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.752 -18.152 11.165 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.828 -17.906 9.404 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.647 -15.070 9.402 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.167 -16.370 8.286 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.936 -15.540 9.267 1.00 2.31 H new ATOM 179 N SER A 11 16.817 -20.272 11.023 1.00 71.44 N ATOM 180 CA SER A 11 17.000 -21.281 12.041 1.00 32.15 C ATOM 181 C SER A 11 18.310 -21.024 12.748 1.00 55.14 C ATOM 182 O SER A 11 19.354 -20.926 12.102 1.00 33.30 O ATOM 183 CB SER A 11 17.008 -22.671 11.400 1.00 73.42 C ATOM 184 OG SER A 11 15.936 -22.768 10.455 1.00 53.13 O ATOM 0 H SER A 11 17.120 -20.551 10.090 1.00 71.44 H new ATOM 0 HA SER A 11 16.182 -21.237 12.760 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.962 -22.848 10.903 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.901 -23.438 12.167 1.00 73.42 H new ATOM 0 HG SER A 11 15.942 -23.657 10.043 1.00 53.13 H new ATOM 190 N VAL A 12 18.252 -20.850 14.051 1.00 44.50 N ATOM 191 CA VAL A 12 19.430 -20.507 14.819 1.00 65.33 C ATOM 192 C VAL A 12 19.777 -21.633 15.772 1.00 31.54 C ATOM 193 O VAL A 12 18.919 -22.109 16.524 1.00 45.10 O ATOM 194 CB VAL A 12 19.165 -19.205 15.601 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.290 -18.943 16.609 1.00 53.10 C ATOM 196 CG2 VAL A 12 19.056 -18.023 14.626 1.00 44.14 C ATOM 0 H VAL A 12 17.399 -20.941 14.602 1.00 44.50 H new ATOM 0 HA VAL A 12 20.273 -20.356 14.145 1.00 65.33 H new ATOM 0 HB VAL A 12 18.227 -19.313 16.145 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.085 -18.020 17.151 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.348 -19.773 17.314 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.238 -18.850 16.080 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.869 -17.106 15.185 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.987 -17.924 14.068 1.00 44.14 H new ATOM 0 HG23 VAL A 12 18.234 -18.199 13.932 1.00 44.14 H new ATOM 206 N GLU A 13 21.027 -22.050 15.745 1.00 65.32 N ATOM 207 CA GLU A 13 21.495 -23.103 16.625 1.00 15.40 C ATOM 208 C GLU A 13 22.688 -22.626 17.440 1.00 23.23 C ATOM 209 O GLU A 13 23.646 -22.084 16.884 1.00 42.34 O ATOM 210 CB GLU A 13 21.873 -24.336 15.808 1.00 20.03 C ATOM 211 CG GLU A 13 20.606 -24.929 15.163 1.00 1.01 C ATOM 212 CD GLU A 13 20.953 -26.108 14.269 1.00 64.42 C ATOM 213 OE1 GLU A 13 22.115 -26.365 14.076 1.00 34.31 O ATOM 214 OE2 GLU A 13 20.050 -26.729 13.774 1.00 14.21 O ATOM 0 H GLU A 13 21.740 -21.674 15.120 1.00 65.32 H new ATOM 0 HA GLU A 13 20.691 -23.366 17.313 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.596 -24.068 15.037 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.350 -25.078 16.448 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.913 -25.249 15.941 1.00 1.01 H new ATOM 0 HG3 GLU A 13 20.097 -24.162 14.579 1.00 1.01 H new ATOM 221 N ASP A 14 22.623 -22.833 18.746 1.00 22.33 N ATOM 222 CA ASP A 14 23.706 -22.455 19.657 1.00 31.53 C ATOM 223 C ASP A 14 24.718 -23.579 19.754 1.00 2.03 C ATOM 224 O ASP A 14 24.343 -24.757 19.780 1.00 12.43 O ATOM 225 CB ASP A 14 23.143 -22.156 21.065 1.00 1.42 C ATOM 226 CG ASP A 14 24.187 -21.517 22.000 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.352 -21.800 21.871 1.00 24.52 O ATOM 228 OD2 ASP A 14 23.786 -20.758 22.850 1.00 34.20 O ATOM 0 H ASP A 14 21.824 -23.266 19.209 1.00 22.33 H new ATOM 0 HA ASP A 14 24.190 -21.560 19.265 1.00 31.53 H new ATOM 0 HB2 ASP A 14 22.286 -21.489 20.975 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.781 -23.082 21.511 1.00 1.42 H new ATOM 233 N ALA A 15 25.956 -23.219 20.006 1.00 64.23 N ATOM 234 CA ALA A 15 26.986 -24.189 20.332 1.00 62.10 C ATOM 235 C ALA A 15 26.534 -24.981 21.541 1.00 0.30 C ATOM 236 O ALA A 15 26.812 -26.171 21.660 1.00 4.10 O ATOM 237 CB ALA A 15 28.302 -23.481 20.647 1.00 72.21 C ATOM 0 H ALA A 15 26.280 -22.252 19.992 1.00 64.23 H new ATOM 0 HA ALA A 15 27.145 -24.852 19.482 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.064 -24.221 20.890 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.621 -22.903 19.780 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.161 -22.813 21.497 1.00 72.21 H new ATOM 243 N GLN A 16 25.720 -24.343 22.369 1.00 3.31 N ATOM 244 CA GLN A 16 25.104 -25.003 23.513 1.00 70.51 C ATOM 245 C GLN A 16 23.991 -25.943 23.045 1.00 44.44 C ATOM 246 O GLN A 16 23.092 -26.299 23.819 1.00 43.52 O ATOM 247 CB GLN A 16 24.552 -23.967 24.507 1.00 25.04 C ATOM 248 CG GLN A 16 25.694 -23.069 25.011 1.00 60.51 C ATOM 249 CD GLN A 16 26.735 -23.904 25.746 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.406 -24.620 26.695 1.00 42.31 O ATOM 251 NE2 GLN A 16 27.971 -23.865 25.366 1.00 32.13 N ATOM 0 H GLN A 16 25.468 -23.360 22.269 1.00 3.31 H new ATOM 0 HA GLN A 16 25.866 -25.591 24.024 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.785 -23.360 24.026 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.077 -24.473 25.347 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.158 -22.553 24.171 1.00 60.51 H new ATOM 0 HG3 GLN A 16 25.297 -22.302 25.676 1.00 60.51 H new ATOM 0 HE21 GLN A 16 28.245 -23.274 24.581 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.672 -24.426 25.851 1.00 32.13 H new ATOM 260 N MET A 17 24.000 -26.252 21.752 1.00 5.31 N ATOM 261 CA MET A 17 22.984 -27.091 21.123 1.00 12.12 C ATOM 262 C MET A 17 21.588 -26.588 21.434 1.00 54.32 C ATOM 263 O MET A 17 20.650 -27.373 21.589 1.00 30.13 O ATOM 264 CB MET A 17 23.140 -28.552 21.548 1.00 21.12 C ATOM 265 CG MET A 17 24.433 -29.122 20.965 1.00 2.23 C ATOM 266 SD MET A 17 24.617 -30.839 21.495 1.00 25.23 S ATOM 267 CE MET A 17 26.310 -31.082 20.916 1.00 74.04 C ATOM 0 H MET A 17 24.718 -25.925 21.106 1.00 5.31 H new ATOM 0 HA MET A 17 23.129 -27.033 20.044 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.157 -28.625 22.635 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.286 -29.135 21.203 1.00 21.12 H new ATOM 0 HG2 MET A 17 24.411 -29.065 19.877 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.287 -28.532 21.298 1.00 2.23 H new ATOM 0 HE1 MET A 17 26.631 -32.098 21.146 1.00 74.04 H new ATOM 0 HE2 MET A 17 26.352 -30.924 19.838 1.00 74.04 H new ATOM 0 HE3 MET A 17 26.970 -30.371 21.413 1.00 74.04 H new ATOM 277 N HIS A 18 21.443 -25.281 21.427 1.00 43.51 N ATOM 278 CA HIS A 18 20.146 -24.656 21.602 1.00 22.43 C ATOM 279 C HIS A 18 19.646 -24.207 20.252 1.00 34.12 C ATOM 280 O HIS A 18 20.426 -23.715 19.437 1.00 31.44 O ATOM 281 CB HIS A 18 20.237 -23.474 22.577 1.00 70.50 C ATOM 282 CG HIS A 18 20.210 -23.992 23.991 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.158 -24.886 24.478 1.00 0.13 N ATOM 284 CD2 HIS A 18 19.357 -23.747 25.037 1.00 21.11 C ATOM 285 CE1 HIS A 18 20.848 -25.140 25.762 1.00 21.41 C ATOM 286 NE2 HIS A 18 19.762 -24.473 26.154 1.00 74.45 N ATOM 0 H HIS A 18 22.213 -24.624 21.301 1.00 43.51 H new ATOM 0 HA HIS A 18 19.446 -25.373 22.031 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.154 -22.912 22.401 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.406 -22.788 22.413 1.00 70.50 H new ATOM 0 HD1 HIS A 18 21.943 -25.277 23.957 1.00 0.13 H new ATOM 0 HD2 HIS A 18 18.501 -23.090 25.000 1.00 21.11 H new ATOM 0 HE1 HIS A 18 21.412 -25.805 26.400 1.00 21.41 H new ATOM 295 N THR A 19 18.396 -24.495 19.968 1.00 71.41 N ATOM 296 CA THR A 19 17.835 -24.250 18.655 1.00 41.11 C ATOM 297 C THR A 19 16.773 -23.167 18.740 1.00 2.13 C ATOM 298 O THR A 19 15.895 -23.225 19.601 1.00 64.45 O ATOM 299 CB THR A 19 17.220 -25.553 18.137 1.00 2.14 C ATOM 300 OG1 THR A 19 18.158 -26.613 18.344 1.00 11.24 O ATOM 301 CG2 THR A 19 16.912 -25.432 16.639 1.00 20.53 C ATOM 0 H THR A 19 17.741 -24.903 20.635 1.00 71.41 H new ATOM 0 HA THR A 19 18.616 -23.914 17.972 1.00 41.11 H new ATOM 0 HB THR A 19 16.292 -25.758 18.671 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.777 -27.455 18.018 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.475 -26.364 16.281 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.208 -24.616 16.477 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.834 -25.230 16.093 1.00 20.53 H new ATOM 309 N VAL A 20 16.892 -22.155 17.895 1.00 62.44 N ATOM 310 CA VAL A 20 15.964 -21.038 17.902 1.00 2.05 C ATOM 311 C VAL A 20 15.539 -20.666 16.481 1.00 1.51 C ATOM 312 O VAL A 20 16.285 -20.876 15.519 1.00 15.42 O ATOM 313 CB VAL A 20 16.602 -19.823 18.605 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.557 -18.722 18.819 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.171 -20.250 19.962 1.00 52.53 C ATOM 0 H VAL A 20 17.628 -22.086 17.192 1.00 62.44 H new ATOM 0 HA VAL A 20 15.073 -21.340 18.452 1.00 2.05 H new ATOM 0 HB VAL A 20 17.403 -19.437 17.975 1.00 22.23 H new ATOM 0 HG11 VAL A 20 16.022 -17.871 19.316 1.00 41.33 H new ATOM 0 HG12 VAL A 20 15.159 -18.406 17.855 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.746 -19.105 19.438 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.621 -19.388 20.455 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.369 -20.647 20.584 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.929 -21.019 19.813 1.00 52.53 H new ATOM 325 N THR A 21 14.398 -20.016 16.382 1.00 63.53 N ATOM 326 CA THR A 21 13.903 -19.484 15.131 1.00 44.25 C ATOM 327 C THR A 21 13.713 -17.984 15.277 1.00 12.41 C ATOM 328 O THR A 21 13.130 -17.520 16.270 1.00 11.33 O ATOM 329 CB THR A 21 12.561 -20.138 14.749 1.00 65.22 C ATOM 330 OG1 THR A 21 12.728 -21.549 14.630 1.00 25.54 O ATOM 331 CG2 THR A 21 12.067 -19.567 13.409 1.00 10.42 C ATOM 0 H THR A 21 13.783 -19.841 17.176 1.00 63.53 H new ATOM 0 HA THR A 21 14.625 -19.700 14.344 1.00 44.25 H new ATOM 0 HB THR A 21 11.827 -19.925 15.526 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.872 -21.961 14.389 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.118 -20.032 13.143 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.930 -18.490 13.501 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.803 -19.774 12.632 1.00 10.42 H new ATOM 339 N ILE A 22 14.178 -17.237 14.301 1.00 41.12 N ATOM 340 CA ILE A 22 13.997 -15.802 14.298 1.00 63.41 C ATOM 341 C ILE A 22 13.344 -15.379 12.995 1.00 15.43 C ATOM 342 O ILE A 22 13.417 -16.107 11.992 1.00 50.41 O ATOM 343 CB ILE A 22 15.336 -15.080 14.506 1.00 35.34 C ATOM 344 CG1 ILE A 22 16.308 -15.439 13.384 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.945 -15.483 15.854 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.578 -14.600 13.523 1.00 75.44 C ATOM 0 H ILE A 22 14.687 -17.601 13.495 1.00 41.12 H new ATOM 0 HA ILE A 22 13.346 -15.523 15.126 1.00 63.41 H new ATOM 0 HB ILE A 22 15.157 -14.005 14.496 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.554 -16.500 13.427 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.844 -15.258 12.414 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.895 -14.966 15.993 1.00 31.40 H new ATOM 0 HG22 ILE A 22 15.262 -15.210 16.658 1.00 31.40 H new ATOM 0 HG23 ILE A 22 16.112 -16.560 15.870 1.00 31.40 H new ATOM 0 HD11 ILE A 22 18.272 -14.856 12.723 1.00 75.44 H new ATOM 0 HD12 ILE A 22 17.324 -13.542 13.459 1.00 75.44 H new ATOM 0 HD13 ILE A 22 18.045 -14.803 14.487 1.00 75.44 H new ATOM 358 N TRP A 23 12.674 -14.241 13.015 1.00 51.20 N ATOM 359 CA TRP A 23 11.951 -13.767 11.848 1.00 45.54 C ATOM 360 C TRP A 23 12.592 -12.523 11.286 1.00 3.15 C ATOM 361 O TRP A 23 12.762 -11.515 11.994 1.00 71.12 O ATOM 362 CB TRP A 23 10.486 -13.482 12.211 1.00 14.21 C ATOM 363 CG TRP A 23 9.755 -14.776 12.359 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.915 -15.298 11.443 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.787 -15.720 13.469 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.438 -16.506 11.914 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.944 -16.808 13.158 1.00 64.15 C ATOM 368 CE3 TRP A 23 10.463 -15.740 14.702 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.772 -17.876 14.034 1.00 24.32 C ATOM 370 CZ3 TRP A 23 10.293 -16.816 15.592 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.450 -17.884 15.254 1.00 12.23 C ATOM 0 H TRP A 23 12.615 -13.627 13.827 1.00 51.20 H new ATOM 0 HA TRP A 23 11.986 -14.547 11.087 1.00 45.54 H new ATOM 0 HB2 TRP A 23 10.433 -12.913 13.139 1.00 14.21 H new ATOM 0 HB3 TRP A 23 10.019 -12.873 11.437 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.657 -14.846 10.497 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.789 -17.103 11.401 1.00 24.00 H new ATOM 0 HE3 TRP A 23 11.118 -14.923 14.968 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.118 -18.694 13.771 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.813 -16.819 16.538 1.00 74.51 H new ATOM 0 HH2 TRP A 23 9.325 -18.712 15.937 1.00 12.23 H new ATOM 382 N LEU A 24 12.930 -12.578 10.018 1.00 44.10 N ATOM 383 CA LEU A 24 13.530 -11.454 9.339 1.00 40.20 C ATOM 384 C LEU A 24 12.614 -10.985 8.233 1.00 52.40 C ATOM 385 O LEU A 24 12.186 -11.781 7.401 1.00 21.24 O ATOM 386 CB LEU A 24 14.891 -11.850 8.759 1.00 70.54 C ATOM 387 CG LEU A 24 15.958 -11.861 9.876 1.00 40.03 C ATOM 388 CD1 LEU A 24 15.579 -12.867 10.962 1.00 42.21 C ATOM 389 CD2 LEU A 24 17.308 -12.262 9.291 1.00 21.54 C ATOM 0 H LEU A 24 12.797 -13.401 9.430 1.00 44.10 H new ATOM 0 HA LEU A 24 13.679 -10.644 10.053 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.826 -12.835 8.297 1.00 70.54 H new ATOM 0 HB3 LEU A 24 15.180 -11.149 7.976 1.00 70.54 H new ATOM 0 HG LEU A 24 16.016 -10.862 10.309 1.00 40.03 H new ATOM 0 HD11 LEU A 24 16.340 -12.864 11.742 1.00 42.21 H new ATOM 0 HD12 LEU A 24 14.616 -12.592 11.393 1.00 42.21 H new ATOM 0 HD13 LEU A 24 15.510 -13.864 10.526 1.00 42.21 H new ATOM 0 HD21 LEU A 24 18.059 -12.269 10.081 1.00 21.54 H new ATOM 0 HD22 LEU A 24 17.233 -13.257 8.852 1.00 21.54 H new ATOM 0 HD23 LEU A 24 17.598 -11.547 8.521 1.00 21.54 H new ATOM 401 N THR A 25 12.332 -9.706 8.208 1.00 32.11 N ATOM 402 CA THR A 25 11.495 -9.140 7.168 1.00 20.03 C ATOM 403 C THR A 25 12.366 -8.314 6.232 1.00 15.11 C ATOM 404 O THR A 25 13.010 -7.350 6.665 1.00 30.42 O ATOM 405 CB THR A 25 10.399 -8.273 7.804 1.00 11.33 C ATOM 406 OG1 THR A 25 9.838 -8.980 8.914 1.00 74.12 O ATOM 407 CG2 THR A 25 9.295 -7.986 6.776 1.00 51.01 C ATOM 0 H THR A 25 12.669 -9.032 8.896 1.00 32.11 H new ATOM 0 HA THR A 25 11.013 -9.933 6.597 1.00 20.03 H new ATOM 0 HB THR A 25 10.829 -7.329 8.137 1.00 11.33 H new ATOM 0 HG1 THR A 25 9.138 -8.434 9.329 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.521 -7.370 7.235 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.721 -7.457 5.923 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.858 -8.926 6.439 1.00 51.01 H new ATOM 415 N VAL A 26 12.469 -8.752 4.987 1.00 24.42 N ATOM 416 CA VAL A 26 13.355 -8.117 4.021 1.00 0.53 C ATOM 417 C VAL A 26 12.840 -8.332 2.615 1.00 14.44 C ATOM 418 O VAL A 26 11.845 -9.009 2.420 1.00 61.52 O ATOM 419 CB VAL A 26 14.767 -8.711 4.141 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.402 -8.271 5.453 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.694 -10.246 4.105 1.00 64.00 C ATOM 0 H VAL A 26 11.948 -9.548 4.620 1.00 24.42 H new ATOM 0 HA VAL A 26 13.388 -7.048 4.230 1.00 0.53 H new ATOM 0 HB VAL A 26 15.371 -8.356 3.306 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.403 -8.695 5.533 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.465 -7.183 5.480 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.793 -8.619 6.287 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.699 -10.660 4.191 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.083 -10.601 4.935 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.248 -10.567 3.164 1.00 64.00 H new ATOM 431 N ARG A 27 13.614 -7.898 1.643 1.00 33.21 N ATOM 432 CA ARG A 27 13.327 -8.196 0.253 1.00 4.21 C ATOM 433 C ARG A 27 14.389 -9.140 -0.278 1.00 3.32 C ATOM 434 O ARG A 27 15.549 -9.049 0.116 1.00 72.11 O ATOM 435 CB ARG A 27 13.289 -6.912 -0.601 1.00 30.33 C ATOM 436 CG ARG A 27 14.317 -5.899 -0.090 1.00 13.41 C ATOM 437 CD ARG A 27 13.695 -5.044 1.020 1.00 0.42 C ATOM 438 NE ARG A 27 14.247 -3.697 1.008 1.00 5.44 N ATOM 439 CZ ARG A 27 13.947 -2.807 1.957 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.122 -3.130 2.913 1.00 55.30 N ATOM 441 NH2 ARG A 27 14.471 -1.616 1.925 1.00 23.52 N ATOM 0 H ARG A 27 14.452 -7.335 1.790 1.00 33.21 H new ATOM 0 HA ARG A 27 12.344 -8.664 0.191 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.496 -7.155 -1.643 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.291 -6.475 -0.567 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.197 -6.419 0.289 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.651 -5.262 -0.909 1.00 13.41 H new ATOM 0 HD2 ARG A 27 12.614 -5.000 0.888 1.00 0.42 H new ATOM 0 HD3 ARG A 27 13.879 -5.508 1.989 1.00 0.42 H new ATOM 0 HE ARG A 27 14.879 -3.426 0.255 1.00 5.44 H new ATOM 0 HH11 ARG A 27 12.707 -4.061 2.935 1.00 55.30 H new ATOM 0 HH12 ARG A 27 12.892 -2.451 3.639 1.00 55.30 H new ATOM 0 HH21 ARG A 27 15.112 -1.361 1.174 1.00 23.52 H new ATOM 0 HH22 ARG A 27 14.240 -0.938 2.651 1.00 23.52 H new ATOM 455 N PRO A 28 14.046 -9.982 -1.210 1.00 70.42 N ATOM 456 CA PRO A 28 15.017 -10.946 -1.812 1.00 2.44 C ATOM 457 C PRO A 28 16.149 -10.204 -2.508 1.00 10.52 C ATOM 458 O PRO A 28 17.232 -10.753 -2.746 1.00 73.22 O ATOM 459 CB PRO A 28 14.164 -11.747 -2.804 1.00 63.31 C ATOM 460 CG PRO A 28 12.974 -10.884 -3.085 1.00 53.01 C ATOM 461 CD PRO A 28 12.704 -10.109 -1.800 1.00 50.41 C ATOM 0 HA PRO A 28 15.502 -11.587 -1.076 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.719 -11.961 -3.717 1.00 63.31 H new ATOM 0 HB3 PRO A 28 13.864 -12.706 -2.381 1.00 63.31 H new ATOM 0 HG2 PRO A 28 13.171 -10.206 -3.915 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.111 -11.488 -3.365 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.256 -9.136 -2.001 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.021 -10.644 -1.140 1.00 50.41 H new ATOM 469 N ASP A 29 15.890 -8.934 -2.768 1.00 21.24 N ATOM 470 CA ASP A 29 16.851 -8.016 -3.362 1.00 42.34 C ATOM 471 C ASP A 29 18.050 -7.845 -2.437 1.00 22.22 C ATOM 472 O ASP A 29 19.168 -7.574 -2.885 1.00 73.13 O ATOM 473 CB ASP A 29 16.186 -6.656 -3.569 1.00 0.01 C ATOM 474 CG ASP A 29 17.001 -5.806 -4.509 1.00 62.22 C ATOM 475 OD1 ASP A 29 16.890 -6.003 -5.700 1.00 43.24 O ATOM 476 OD2 ASP A 29 17.725 -4.963 -4.034 1.00 21.43 O ATOM 0 H ASP A 29 14.988 -8.502 -2.569 1.00 21.24 H new ATOM 0 HA ASP A 29 17.186 -8.420 -4.317 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.182 -6.793 -3.971 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.079 -6.148 -2.611 1.00 0.01 H new ATOM 481 N MET A 30 17.789 -7.920 -1.141 1.00 31.25 N ATOM 482 CA MET A 30 18.822 -7.731 -0.139 1.00 25.12 C ATOM 483 C MET A 30 19.919 -8.772 -0.241 1.00 64.13 C ATOM 484 O MET A 30 19.838 -9.727 -1.028 1.00 62.13 O ATOM 485 CB MET A 30 18.227 -7.738 1.274 1.00 2.42 C ATOM 486 CG MET A 30 17.624 -6.371 1.593 1.00 11.34 C ATOM 487 SD MET A 30 16.728 -6.464 3.162 1.00 52.43 S ATOM 488 CE MET A 30 18.143 -6.874 4.225 1.00 61.23 C ATOM 0 H MET A 30 16.863 -8.112 -0.758 1.00 31.25 H new ATOM 0 HA MET A 30 19.268 -6.756 -0.334 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.461 -8.510 1.351 1.00 2.42 H new ATOM 0 HB3 MET A 30 19.000 -7.983 2.002 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.411 -5.619 1.654 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.950 -6.063 0.794 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.128 -6.239 5.111 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.081 -7.920 4.527 1.00 61.23 H new ATOM 0 HE3 MET A 30 19.070 -6.709 3.676 1.00 61.23 H new ATOM 498 N THR A 31 20.919 -8.603 0.593 1.00 12.23 N ATOM 499 CA THR A 31 22.038 -9.503 0.649 1.00 31.41 C ATOM 500 C THR A 31 22.118 -10.129 2.028 1.00 44.04 C ATOM 501 O THR A 31 21.571 -9.588 3.002 1.00 12.01 O ATOM 502 CB THR A 31 23.328 -8.742 0.321 1.00 25.42 C ATOM 503 OG1 THR A 31 24.413 -9.641 0.249 1.00 20.13 O ATOM 504 CG2 THR A 31 23.611 -7.693 1.402 1.00 40.23 C ATOM 0 H THR A 31 20.975 -7.829 1.255 1.00 12.23 H new ATOM 0 HA THR A 31 21.909 -10.298 -0.086 1.00 31.41 H new ATOM 0 HB THR A 31 23.204 -8.244 -0.641 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.094 -10.514 -0.062 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.529 -7.159 1.159 1.00 40.23 H new ATOM 0 HG22 THR A 31 22.782 -6.987 1.450 1.00 40.23 H new ATOM 0 HG23 THR A 31 23.723 -8.186 2.367 1.00 40.23 H new ATOM 512 N VAL A 32 22.798 -11.251 2.117 1.00 60.15 N ATOM 513 CA VAL A 32 22.932 -11.943 3.378 1.00 10.31 C ATOM 514 C VAL A 32 23.654 -11.064 4.384 1.00 54.12 C ATOM 515 O VAL A 32 23.244 -10.965 5.532 1.00 54.33 O ATOM 516 CB VAL A 32 23.662 -13.277 3.189 1.00 44.23 C ATOM 517 CG1 VAL A 32 23.900 -13.948 4.547 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.819 -14.196 2.306 1.00 24.05 C ATOM 0 H VAL A 32 23.266 -11.703 1.331 1.00 60.15 H new ATOM 0 HA VAL A 32 21.936 -12.160 3.765 1.00 10.31 H new ATOM 0 HB VAL A 32 24.625 -13.091 2.713 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.419 -14.895 4.399 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.507 -13.295 5.174 1.00 71.12 H new ATOM 0 HG13 VAL A 32 22.943 -14.132 5.035 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.337 -15.146 2.170 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.854 -14.373 2.782 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.664 -13.726 1.335 1.00 24.05 H new ATOM 528 N ALA A 33 24.723 -10.422 3.952 1.00 53.45 N ATOM 529 CA ALA A 33 25.486 -9.572 4.850 1.00 55.04 C ATOM 530 C ALA A 33 24.582 -8.527 5.504 1.00 52.23 C ATOM 531 O ALA A 33 24.538 -8.417 6.730 1.00 54.14 O ATOM 532 CB ALA A 33 26.634 -8.896 4.102 1.00 50.32 C ATOM 0 H ALA A 33 25.080 -10.470 2.998 1.00 53.45 H new ATOM 0 HA ALA A 33 25.908 -10.198 5.636 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.194 -8.263 4.790 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.296 -9.656 3.687 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.232 -8.285 3.294 1.00 50.32 H new ATOM 538 N SER A 34 23.784 -7.835 4.699 1.00 20.42 N ATOM 539 CA SER A 34 22.822 -6.882 5.251 1.00 42.23 C ATOM 540 C SER A 34 21.823 -7.605 6.143 1.00 51.41 C ATOM 541 O SER A 34 21.494 -7.142 7.237 1.00 74.05 O ATOM 542 CB SER A 34 22.084 -6.142 4.138 1.00 22.13 C ATOM 543 OG SER A 34 23.031 -5.591 3.228 1.00 22.31 O ATOM 0 H SER A 34 23.780 -7.911 3.682 1.00 20.42 H new ATOM 0 HA SER A 34 23.371 -6.150 5.844 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.414 -6.824 3.614 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.466 -5.350 4.561 1.00 22.13 H new ATOM 0 HG SER A 34 22.559 -5.144 2.495 1.00 22.31 H new ATOM 549 N LEU A 35 21.363 -8.754 5.665 1.00 42.51 N ATOM 550 CA LEU A 35 20.401 -9.576 6.385 1.00 60.21 C ATOM 551 C LEU A 35 21.005 -10.044 7.703 1.00 12.50 C ATOM 552 O LEU A 35 20.380 -9.961 8.762 1.00 51.11 O ATOM 553 CB LEU A 35 20.027 -10.783 5.520 1.00 20.44 C ATOM 554 CG LEU A 35 19.006 -11.663 6.238 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.761 -10.846 6.556 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.622 -12.821 5.332 1.00 72.44 C ATOM 0 H LEU A 35 21.647 -9.142 4.766 1.00 42.51 H new ATOM 0 HA LEU A 35 19.506 -8.992 6.599 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.617 -10.443 4.569 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.920 -11.365 5.292 1.00 20.44 H new ATOM 0 HG LEU A 35 19.440 -12.042 7.164 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.034 -11.476 7.068 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.030 -10.007 7.198 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.326 -10.470 5.630 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.893 -13.453 5.839 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.188 -12.433 4.410 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.510 -13.408 5.096 1.00 72.44 H new ATOM 568 N LYS A 36 22.249 -10.457 7.626 1.00 34.21 N ATOM 569 CA LYS A 36 23.016 -10.873 8.775 1.00 44.21 C ATOM 570 C LYS A 36 23.085 -9.730 9.771 1.00 31.00 C ATOM 571 O LYS A 36 22.929 -9.928 10.978 1.00 33.33 O ATOM 572 CB LYS A 36 24.429 -11.210 8.283 1.00 43.15 C ATOM 573 CG LYS A 36 25.358 -11.593 9.437 1.00 4.03 C ATOM 574 CD LYS A 36 26.723 -10.936 9.188 1.00 65.42 C ATOM 575 CE LYS A 36 27.464 -11.661 8.053 1.00 65.21 C ATOM 576 NZ LYS A 36 28.732 -10.952 7.762 1.00 35.45 N ATOM 0 H LYS A 36 22.764 -10.514 6.748 1.00 34.21 H new ATOM 0 HA LYS A 36 22.559 -11.736 9.259 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.379 -12.032 7.569 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.843 -10.352 7.753 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.942 -11.259 10.387 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.462 -12.676 9.498 1.00 4.03 H new ATOM 0 HD2 LYS A 36 26.587 -9.886 8.930 1.00 65.42 H new ATOM 0 HD3 LYS A 36 27.320 -10.966 10.099 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.669 -12.693 8.338 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.840 -11.695 7.160 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 29.108 -11.274 6.847 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.556 -9.928 7.723 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 29.424 -11.156 8.512 1.00 35.45 H new ATOM 590 N ASP A 37 23.353 -8.548 9.253 1.00 21.40 N ATOM 591 CA ASP A 37 23.498 -7.354 10.067 1.00 31.33 C ATOM 592 C ASP A 37 22.219 -7.012 10.827 1.00 3.04 C ATOM 593 O ASP A 37 22.272 -6.637 12.002 1.00 73.14 O ATOM 594 CB ASP A 37 23.920 -6.175 9.186 1.00 1.34 C ATOM 595 CG ASP A 37 23.979 -4.904 9.998 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.798 -4.823 10.880 1.00 52.50 O ATOM 597 OD2 ASP A 37 23.213 -4.015 9.712 1.00 11.04 O ATOM 0 H ASP A 37 23.477 -8.386 8.254 1.00 21.40 H new ATOM 0 HA ASP A 37 24.269 -7.554 10.810 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.895 -6.376 8.742 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.214 -6.056 8.364 1.00 1.34 H new ATOM 602 N MET A 38 21.067 -7.135 10.171 1.00 34.44 N ATOM 603 CA MET A 38 19.818 -6.754 10.825 1.00 41.13 C ATOM 604 C MET A 38 19.626 -7.573 12.055 1.00 34.34 C ATOM 605 O MET A 38 19.095 -7.097 13.034 1.00 71.22 O ATOM 606 CB MET A 38 18.588 -6.975 9.960 1.00 41.21 C ATOM 607 CG MET A 38 18.914 -6.978 8.484 1.00 23.15 C ATOM 608 SD MET A 38 17.358 -7.097 7.559 1.00 32.15 S ATOM 609 CE MET A 38 16.655 -8.527 8.441 1.00 74.35 C ATOM 0 H MET A 38 20.972 -7.484 9.217 1.00 34.44 H new ATOM 0 HA MET A 38 19.910 -5.689 11.038 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.124 -7.924 10.229 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.857 -6.193 10.166 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.450 -6.069 8.211 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.566 -7.817 8.241 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.001 -9.083 7.769 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.461 -9.176 8.783 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.081 -8.179 9.300 1.00 74.35 H new ATOM 619 N VAL A 39 19.968 -8.837 11.968 1.00 14.41 N ATOM 620 CA VAL A 39 19.721 -9.749 13.068 1.00 25.32 C ATOM 621 C VAL A 39 20.305 -9.164 14.343 1.00 51.44 C ATOM 622 O VAL A 39 19.632 -9.112 15.376 1.00 21.33 O ATOM 623 CB VAL A 39 20.309 -11.136 12.764 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.146 -12.074 13.969 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.596 -11.736 11.546 1.00 65.31 C ATOM 0 H VAL A 39 20.415 -9.259 11.154 1.00 14.41 H new ATOM 0 HA VAL A 39 18.647 -9.877 13.202 1.00 25.32 H new ATOM 0 HB VAL A 39 21.373 -11.025 12.554 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.569 -13.050 13.730 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.665 -11.654 14.830 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.087 -12.185 14.203 1.00 41.14 H new ATOM 0 HG21 VAL A 39 20.012 -12.720 11.329 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.531 -11.831 11.758 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.738 -11.084 10.684 1.00 65.31 H new ATOM 635 N PHE A 40 21.493 -8.600 14.237 1.00 3.12 N ATOM 636 CA PHE A 40 22.055 -7.865 15.355 1.00 33.42 C ATOM 637 C PHE A 40 21.157 -6.693 15.716 1.00 2.10 C ATOM 638 O PHE A 40 20.818 -6.498 16.878 1.00 42.22 O ATOM 639 CB PHE A 40 23.465 -7.364 15.025 1.00 31.43 C ATOM 640 CG PHE A 40 23.915 -6.380 16.089 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.088 -6.795 17.413 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.138 -5.041 15.745 1.00 43.21 C ATOM 643 CE1 PHE A 40 24.490 -5.874 18.386 1.00 61.34 C ATOM 644 CE2 PHE A 40 24.537 -4.121 16.718 1.00 33.14 C ATOM 645 CZ PHE A 40 24.714 -4.538 18.040 1.00 34.32 C ATOM 0 H PHE A 40 22.080 -8.635 13.403 1.00 3.12 H new ATOM 0 HA PHE A 40 22.121 -8.540 16.208 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.158 -8.204 14.975 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.472 -6.885 14.046 1.00 31.43 H new ATOM 0 HD1 PHE A 40 23.911 -7.825 17.684 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.001 -4.718 14.724 1.00 43.21 H new ATOM 0 HE1 PHE A 40 24.628 -6.196 19.408 1.00 61.34 H new ATOM 0 HE2 PHE A 40 24.708 -3.089 16.449 1.00 33.14 H new ATOM 0 HZ PHE A 40 25.023 -3.829 18.794 1.00 34.32 H new ATOM 655 N LEU A 41 20.750 -5.933 14.719 1.00 22.50 N ATOM 656 CA LEU A 41 19.900 -4.779 14.970 1.00 60.20 C ATOM 657 C LEU A 41 18.579 -5.239 15.555 1.00 62.30 C ATOM 658 O LEU A 41 18.019 -4.615 16.464 1.00 2.04 O ATOM 659 CB LEU A 41 19.593 -4.066 13.643 1.00 64.43 C ATOM 660 CG LEU A 41 20.890 -3.773 12.883 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.574 -3.098 11.545 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.797 -2.872 13.713 1.00 2.24 C ATOM 0 H LEU A 41 20.988 -6.087 13.739 1.00 22.50 H new ATOM 0 HA LEU A 41 20.415 -4.109 15.658 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.938 -4.687 13.032 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.060 -3.136 13.837 1.00 64.43 H new ATOM 0 HG LEU A 41 21.404 -4.716 12.696 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.503 -2.894 11.012 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.948 -3.757 10.944 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.046 -2.162 11.726 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.715 -2.672 13.161 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.286 -1.932 13.919 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.040 -3.367 14.653 1.00 2.24 H new ATOM 674 N ASP A 42 18.045 -6.277 14.951 1.00 3.40 N ATOM 675 CA ASP A 42 16.723 -6.778 15.285 1.00 20.53 C ATOM 676 C ASP A 42 16.709 -7.556 16.587 1.00 55.41 C ATOM 677 O ASP A 42 15.781 -7.417 17.383 1.00 3.34 O ATOM 678 CB ASP A 42 16.179 -7.654 14.148 1.00 22.22 C ATOM 679 CG ASP A 42 14.675 -7.793 14.274 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.002 -6.792 14.159 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.206 -8.885 14.475 1.00 75.41 O ATOM 0 H ASP A 42 18.513 -6.801 14.212 1.00 3.40 H new ATOM 0 HA ASP A 42 16.080 -5.908 15.417 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.432 -7.212 13.184 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.647 -8.638 14.180 1.00 22.22 H new ATOM 686 N TYR A 43 17.671 -8.459 16.756 1.00 32.23 N ATOM 687 CA TYR A 43 17.681 -9.343 17.926 1.00 3.43 C ATOM 688 C TYR A 43 18.839 -9.047 18.875 1.00 54.44 C ATOM 689 O TYR A 43 18.933 -9.650 19.955 1.00 52.22 O ATOM 690 CB TYR A 43 17.767 -10.805 17.482 1.00 12.45 C ATOM 691 CG TYR A 43 16.577 -11.159 16.629 1.00 32.24 C ATOM 692 CD1 TYR A 43 15.360 -11.491 17.229 1.00 32.13 C ATOM 693 CD2 TYR A 43 16.696 -11.162 15.238 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.261 -11.824 16.438 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.602 -11.494 14.443 1.00 50.22 C ATOM 696 CZ TYR A 43 14.375 -11.827 15.046 1.00 33.42 C ATOM 697 OH TYR A 43 13.283 -12.162 14.273 1.00 11.32 O ATOM 0 H TYR A 43 18.446 -8.600 16.108 1.00 32.23 H new ATOM 0 HA TYR A 43 16.750 -9.160 18.463 1.00 3.43 H new ATOM 0 HB2 TYR A 43 18.687 -10.969 16.922 1.00 12.45 H new ATOM 0 HB3 TYR A 43 17.805 -11.456 18.355 1.00 12.45 H new ATOM 0 HD1 TYR A 43 15.270 -11.490 18.305 1.00 32.13 H new ATOM 0 HD2 TYR A 43 17.639 -10.906 14.777 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.320 -12.080 16.902 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.695 -11.496 13.367 1.00 50.22 H new ATOM 0 HH TYR A 43 13.263 -11.596 13.473 1.00 11.32 H new ATOM 707 N GLY A 44 19.754 -8.187 18.457 1.00 13.32 N ATOM 708 CA GLY A 44 20.942 -7.915 19.256 1.00 51.52 C ATOM 709 C GLY A 44 21.858 -9.127 19.245 1.00 41.34 C ATOM 710 O GLY A 44 22.686 -9.302 20.139 1.00 41.15 O ATOM 0 H GLY A 44 19.700 -7.670 17.580 1.00 13.32 H new ATOM 0 HA2 GLY A 44 21.468 -7.047 18.859 1.00 51.52 H new ATOM 0 HA3 GLY A 44 20.656 -7.673 20.280 1.00 51.52 H new ATOM 714 N PHE A 45 21.681 -9.985 18.241 1.00 73.22 N ATOM 715 CA PHE A 45 22.476 -11.210 18.121 1.00 0.40 C ATOM 716 C PHE A 45 23.953 -10.870 17.998 1.00 12.32 C ATOM 717 O PHE A 45 24.313 -9.942 17.279 1.00 44.25 O ATOM 718 CB PHE A 45 22.036 -12.016 16.888 1.00 13.01 C ATOM 719 CG PHE A 45 20.915 -12.982 17.242 1.00 55.55 C ATOM 720 CD1 PHE A 45 20.053 -12.720 18.319 1.00 31.22 C ATOM 721 CD2 PHE A 45 20.736 -14.143 16.479 1.00 43.54 C ATOM 722 CE1 PHE A 45 19.024 -13.618 18.625 1.00 2.11 C ATOM 723 CE2 PHE A 45 19.708 -15.037 16.788 1.00 74.25 C ATOM 724 CZ PHE A 45 18.853 -14.775 17.860 1.00 11.12 C ATOM 0 H PHE A 45 20.994 -9.856 17.498 1.00 73.22 H new ATOM 0 HA PHE A 45 22.316 -11.809 19.017 1.00 0.40 H new ATOM 0 HB2 PHE A 45 21.702 -11.336 16.105 1.00 13.01 H new ATOM 0 HB3 PHE A 45 22.886 -12.570 16.488 1.00 13.01 H new ATOM 0 HD1 PHE A 45 20.184 -11.826 18.911 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.395 -14.348 15.649 1.00 43.54 H new ATOM 0 HE1 PHE A 45 18.361 -13.417 19.454 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.575 -15.931 16.197 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.059 -15.467 18.098 1.00 11.12 H new ATOM 734 N PRO A 46 24.813 -11.606 18.670 1.00 33.44 N ATOM 735 CA PRO A 46 26.283 -11.359 18.621 1.00 1.25 C ATOM 736 C PRO A 46 26.814 -11.372 17.185 1.00 72.23 C ATOM 737 O PRO A 46 26.943 -12.437 16.577 1.00 63.41 O ATOM 738 CB PRO A 46 26.887 -12.521 19.435 1.00 45.41 C ATOM 739 CG PRO A 46 25.791 -13.529 19.591 1.00 3.22 C ATOM 740 CD PRO A 46 24.481 -12.749 19.539 1.00 61.54 C ATOM 0 HA PRO A 46 26.544 -10.379 19.020 1.00 1.25 H new ATOM 0 HB2 PRO A 46 27.745 -12.954 18.920 1.00 45.41 H new ATOM 0 HB3 PRO A 46 27.240 -12.175 20.406 1.00 45.41 H new ATOM 0 HG2 PRO A 46 25.832 -14.274 18.796 1.00 3.22 H new ATOM 0 HG3 PRO A 46 25.887 -14.065 20.535 1.00 3.22 H new ATOM 0 HD2 PRO A 46 23.670 -13.349 19.126 1.00 61.54 H new ATOM 0 HD3 PRO A 46 24.164 -12.424 20.530 1.00 61.54 H new ATOM 748 N PRO A 47 27.164 -10.225 16.645 1.00 24.43 N ATOM 749 CA PRO A 47 27.684 -10.129 15.246 1.00 3.35 C ATOM 750 C PRO A 47 28.955 -10.949 15.067 1.00 32.23 C ATOM 751 O PRO A 47 29.193 -11.517 14.011 1.00 60.40 O ATOM 752 CB PRO A 47 27.957 -8.627 15.058 1.00 22.12 C ATOM 753 CG PRO A 47 28.076 -8.081 16.446 1.00 61.03 C ATOM 754 CD PRO A 47 27.117 -8.903 17.302 1.00 72.21 C ATOM 0 HA PRO A 47 26.982 -10.524 14.511 1.00 3.35 H new ATOM 0 HB2 PRO A 47 28.871 -8.460 14.488 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.147 -8.144 14.511 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.099 -8.167 16.813 1.00 61.03 H new ATOM 0 HG3 PRO A 47 27.815 -7.023 16.473 1.00 61.03 H new ATOM 0 HD2 PRO A 47 27.441 -8.954 18.341 1.00 72.21 H new ATOM 0 HD3 PRO A 47 26.111 -8.484 17.302 1.00 72.21 H new ATOM 762 N VAL A 48 29.701 -11.094 16.138 1.00 2.22 N ATOM 763 CA VAL A 48 30.880 -11.945 16.141 1.00 3.34 C ATOM 764 C VAL A 48 30.512 -13.421 15.897 1.00 13.44 C ATOM 765 O VAL A 48 31.322 -14.203 15.388 1.00 24.32 O ATOM 766 CB VAL A 48 31.684 -11.744 17.447 1.00 51.11 C ATOM 767 CG1 VAL A 48 30.756 -11.865 18.663 1.00 44.54 C ATOM 768 CG2 VAL A 48 32.776 -12.813 17.555 1.00 41.53 C ATOM 0 H VAL A 48 29.514 -10.632 17.028 1.00 2.22 H new ATOM 0 HA VAL A 48 31.523 -11.650 15.311 1.00 3.34 H new ATOM 0 HB VAL A 48 32.135 -10.752 17.427 1.00 51.11 H new ATOM 0 HG11 VAL A 48 31.333 -11.722 19.577 1.00 44.54 H new ATOM 0 HG12 VAL A 48 29.977 -11.105 18.603 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.298 -12.854 18.674 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.339 -12.666 18.477 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.318 -13.802 17.563 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.450 -12.733 16.702 1.00 41.53 H new ATOM 778 N LEU A 49 29.298 -13.793 16.259 1.00 54.44 N ATOM 779 CA LEU A 49 28.825 -15.170 16.097 1.00 52.43 C ATOM 780 C LEU A 49 28.032 -15.318 14.803 1.00 2.01 C ATOM 781 O LEU A 49 27.318 -16.295 14.618 1.00 62.52 O ATOM 782 CB LEU A 49 27.942 -15.565 17.280 1.00 62.41 C ATOM 783 CG LEU A 49 28.809 -15.936 18.511 1.00 55.31 C ATOM 784 CD1 LEU A 49 29.457 -14.692 19.116 1.00 45.40 C ATOM 785 CD2 LEU A 49 27.934 -16.610 19.570 1.00 21.42 C ATOM 0 H LEU A 49 28.611 -13.161 16.671 1.00 54.44 H new ATOM 0 HA LEU A 49 29.695 -15.826 16.056 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.275 -14.741 17.534 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.313 -16.411 17.004 1.00 62.41 H new ATOM 0 HG LEU A 49 29.594 -16.617 18.184 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.060 -14.978 19.978 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.093 -14.214 18.371 1.00 45.40 H new ATOM 0 HD13 LEU A 49 28.681 -13.995 19.432 1.00 45.40 H new ATOM 0 HD21 LEU A 49 28.545 -16.870 20.435 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.143 -15.926 19.877 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.490 -17.514 19.154 1.00 21.42 H new ATOM 797 N GLN A 50 28.049 -14.270 14.003 1.00 62.55 N ATOM 798 CA GLN A 50 27.249 -14.160 12.767 1.00 24.52 C ATOM 799 C GLN A 50 27.412 -15.353 11.798 1.00 43.40 C ATOM 800 O GLN A 50 27.402 -15.152 10.571 1.00 65.42 O ATOM 801 CB GLN A 50 27.632 -12.875 12.019 1.00 53.50 C ATOM 802 CG GLN A 50 29.120 -12.951 11.611 1.00 42.03 C ATOM 803 CD GLN A 50 29.569 -11.645 10.983 1.00 24.14 C ATOM 804 OE1 GLN A 50 29.808 -11.586 9.774 1.00 22.04 O ATOM 805 NE2 GLN A 50 29.695 -10.595 11.723 1.00 23.53 N ATOM 0 H GLN A 50 28.625 -13.448 14.184 1.00 62.55 H new ATOM 0 HA GLN A 50 26.208 -14.149 13.089 1.00 24.52 H new ATOM 0 HB2 GLN A 50 27.006 -12.754 11.135 1.00 53.50 H new ATOM 0 HB3 GLN A 50 27.460 -12.005 12.653 1.00 53.50 H new ATOM 0 HG2 GLN A 50 29.732 -13.169 12.486 1.00 42.03 H new ATOM 0 HG3 GLN A 50 29.268 -13.769 10.906 1.00 42.03 H new ATOM 0 HE21 GLN A 50 29.496 -10.648 12.722 1.00 23.53 H new ATOM 0 HE22 GLN A 50 29.993 -9.712 11.309 1.00 23.53 H new ATOM 814 N GLN A 51 27.486 -16.571 12.301 1.00 50.00 N ATOM 815 CA GLN A 51 27.596 -17.710 11.406 1.00 5.12 C ATOM 816 C GLN A 51 26.257 -18.053 10.773 1.00 24.14 C ATOM 817 O GLN A 51 25.383 -18.646 11.408 1.00 52.33 O ATOM 818 CB GLN A 51 28.198 -18.935 12.100 1.00 32.34 C ATOM 819 CG GLN A 51 29.690 -18.697 12.360 1.00 40.52 C ATOM 820 CD GLN A 51 30.329 -19.964 12.900 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.955 -19.944 13.953 1.00 2.14 O ATOM 822 NE2 GLN A 51 30.202 -21.076 12.244 1.00 64.45 N ATOM 0 H GLN A 51 27.473 -16.796 13.296 1.00 50.00 H new ATOM 0 HA GLN A 51 28.282 -17.416 10.611 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.680 -19.124 13.040 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.063 -19.820 11.479 1.00 32.34 H new ATOM 0 HG2 GLN A 51 30.185 -18.394 11.437 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.818 -17.882 13.073 1.00 40.52 H new ATOM 0 HE21 GLN A 51 29.681 -21.094 11.367 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.623 -21.932 12.605 1.00 64.45 H new ATOM 831 N TRP A 52 26.153 -17.759 9.487 1.00 42.04 N ATOM 832 CA TRP A 52 24.985 -18.100 8.694 1.00 31.04 C ATOM 833 C TRP A 52 25.304 -19.357 7.921 1.00 72.42 C ATOM 834 O TRP A 52 26.408 -19.470 7.374 1.00 1.43 O ATOM 835 CB TRP A 52 24.694 -16.971 7.690 1.00 75.43 C ATOM 836 CG TRP A 52 23.852 -15.911 8.323 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.281 -15.033 9.258 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.455 -15.586 8.072 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.236 -14.197 9.599 1.00 11.32 N ATOM 840 CE2 TRP A 52 22.089 -14.498 8.894 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.474 -16.129 7.219 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.806 -13.964 8.873 1.00 55.12 C ATOM 843 CZ3 TRP A 52 20.178 -15.591 7.196 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.848 -14.511 8.023 1.00 64.43 C ATOM 0 H TRP A 52 26.881 -17.274 8.962 1.00 42.04 H new ATOM 0 HA TRP A 52 24.120 -18.242 9.342 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.631 -16.538 7.339 1.00 75.43 H new ATOM 0 HB3 TRP A 52 24.183 -17.376 6.816 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.278 -14.992 9.671 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.304 -13.448 10.288 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.721 -16.964 6.579 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.554 -13.130 9.512 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.432 -16.012 6.538 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.849 -14.101 8.002 1.00 64.43 H new ATOM 855 N VAL A 53 24.362 -20.279 7.837 1.00 64.50 N ATOM 856 CA VAL A 53 24.589 -21.489 7.073 1.00 13.22 C ATOM 857 C VAL A 53 23.492 -21.658 6.032 1.00 24.40 C ATOM 858 O VAL A 53 22.316 -21.797 6.368 1.00 52.11 O ATOM 859 CB VAL A 53 24.618 -22.705 8.026 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.649 -24.014 7.229 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.853 -22.626 8.934 1.00 70.32 C ATOM 0 H VAL A 53 23.446 -20.214 8.282 1.00 64.50 H new ATOM 0 HA VAL A 53 25.548 -21.419 6.559 1.00 13.22 H new ATOM 0 HB VAL A 53 23.715 -22.688 8.637 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.669 -24.859 7.917 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.760 -24.079 6.601 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.540 -24.037 6.601 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.868 -23.486 9.604 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.755 -22.627 8.322 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.814 -21.709 9.522 1.00 70.32 H new ATOM 871 N ILE A 54 23.900 -21.745 4.782 1.00 31.32 N ATOM 872 CA ILE A 54 23.005 -22.034 3.678 1.00 2.42 C ATOM 873 C ILE A 54 23.780 -22.818 2.628 1.00 55.44 C ATOM 874 O ILE A 54 24.854 -22.379 2.201 1.00 64.42 O ATOM 875 CB ILE A 54 22.434 -20.726 3.076 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.588 -19.986 4.125 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.554 -21.041 1.858 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.192 -18.611 3.584 1.00 33.44 C ATOM 0 H ILE A 54 24.872 -21.616 4.501 1.00 31.32 H new ATOM 0 HA ILE A 54 22.160 -22.624 4.032 1.00 2.42 H new ATOM 0 HB ILE A 54 23.269 -20.097 2.769 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.696 -20.566 4.363 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.153 -19.875 5.051 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.159 -20.113 1.445 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.150 -21.551 1.101 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.728 -21.683 2.163 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.592 -18.086 4.328 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.090 -18.032 3.368 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.611 -18.733 2.670 1.00 33.44 H new ATOM 991 N ASP A 61 28.452 -13.591 2.002 1.00 5.24 N ATOM 992 CA ASP A 61 27.253 -12.971 2.559 1.00 62.30 C ATOM 993 C ASP A 61 26.847 -11.776 1.714 1.00 23.25 C ATOM 994 O ASP A 61 25.739 -11.256 1.846 1.00 41.02 O ATOM 995 CB ASP A 61 27.446 -12.553 4.038 1.00 4.03 C ATOM 996 CG ASP A 61 28.658 -11.650 4.229 1.00 13.24 C ATOM 997 OD1 ASP A 61 29.482 -11.577 3.339 1.00 33.05 O ATOM 998 OD2 ASP A 61 28.753 -11.044 5.280 1.00 24.14 O ATOM 0 HA ASP A 61 26.456 -13.714 2.539 1.00 62.30 H new ATOM 0 HB2 ASP A 61 26.552 -12.036 4.387 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.560 -13.445 4.654 1.00 4.03 H new ATOM 1003 N GLN A 62 27.763 -11.353 0.852 1.00 12.52 N ATOM 1004 CA GLN A 62 27.552 -10.223 -0.048 1.00 34.33 C ATOM 1005 C GLN A 62 26.523 -10.570 -1.126 1.00 44.45 C ATOM 1006 O GLN A 62 25.979 -9.681 -1.788 1.00 1.43 O ATOM 1007 CB GLN A 62 28.874 -9.825 -0.708 1.00 0.02 C ATOM 1008 CG GLN A 62 29.854 -9.331 0.360 1.00 25.23 C ATOM 1009 CD GLN A 62 31.199 -9.014 -0.279 1.00 11.12 C ATOM 1010 OE1 GLN A 62 32.208 -9.629 0.066 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.280 -8.086 -1.178 1.00 15.21 N ATOM 0 H GLN A 62 28.681 -11.787 0.756 1.00 12.52 H new ATOM 0 HA GLN A 62 27.173 -9.386 0.539 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.298 -10.677 -1.239 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.702 -9.043 -1.447 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.455 -8.442 0.849 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.978 -10.091 1.132 1.00 25.23 H new ATOM 0 HE21 GLN A 62 30.443 -7.577 -1.463 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.181 -7.864 -1.602 1.00 15.21 H new ATOM 1020 N GLU A 63 26.318 -11.861 -1.357 1.00 4.31 N ATOM 1021 CA GLU A 63 25.382 -12.307 -2.382 1.00 63.23 C ATOM 1022 C GLU A 63 23.934 -11.983 -1.987 1.00 22.23 C ATOM 1023 O GLU A 63 23.617 -11.817 -0.796 1.00 10.12 O ATOM 1024 CB GLU A 63 25.575 -13.812 -2.681 1.00 4.24 C ATOM 1025 CG GLU A 63 24.396 -14.360 -3.503 1.00 13.54 C ATOM 1026 CD GLU A 63 24.275 -13.661 -4.841 1.00 55.25 C ATOM 1027 OE1 GLU A 63 25.278 -13.305 -5.402 1.00 51.42 O ATOM 1028 OE2 GLU A 63 23.161 -13.502 -5.290 1.00 33.23 O ATOM 0 H GLU A 63 26.784 -12.614 -0.851 1.00 4.31 H new ATOM 0 HA GLU A 63 25.593 -11.760 -3.301 1.00 63.23 H new ATOM 0 HB2 GLU A 63 26.506 -13.963 -3.227 1.00 4.24 H new ATOM 0 HB3 GLU A 63 25.661 -14.365 -1.746 1.00 4.24 H new ATOM 0 HG2 GLU A 63 24.529 -15.430 -3.662 1.00 13.54 H new ATOM 0 HG3 GLU A 63 23.471 -14.234 -2.941 1.00 13.54 H new ATOM 1035 N THR A 64 23.079 -11.847 -2.990 1.00 35.12 N ATOM 1036 CA THR A 64 21.684 -11.496 -2.792 1.00 71.14 C ATOM 1037 C THR A 64 20.940 -12.610 -2.067 1.00 54.02 C ATOM 1038 O THR A 64 21.305 -13.790 -2.172 1.00 2.04 O ATOM 1039 CB THR A 64 21.012 -11.258 -4.153 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.000 -11.265 -5.194 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.277 -9.912 -4.149 1.00 70.13 C ATOM 0 H THR A 64 23.337 -11.978 -3.968 1.00 35.12 H new ATOM 0 HA THR A 64 21.645 -10.590 -2.187 1.00 71.14 H new ATOM 0 HB THR A 64 20.293 -12.057 -4.334 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.167 -12.187 -5.480 1.00 5.15 H new ATOM 0 HG21 THR A 64 19.804 -9.753 -5.118 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.515 -9.916 -3.370 1.00 70.13 H new ATOM 0 HG23 THR A 64 20.989 -9.109 -3.956 1.00 70.13 H new ATOM 1049 N LEU A 65 19.863 -12.248 -1.395 1.00 11.25 N ATOM 1050 CA LEU A 65 19.000 -13.232 -0.760 1.00 22.02 C ATOM 1051 C LEU A 65 18.365 -14.115 -1.833 1.00 11.33 C ATOM 1052 O LEU A 65 18.157 -15.312 -1.637 1.00 62.22 O ATOM 1053 CB LEU A 65 17.896 -12.544 0.049 1.00 34.52 C ATOM 1054 CG LEU A 65 18.501 -11.745 1.215 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.387 -11.047 1.992 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.279 -12.666 2.154 1.00 30.03 C ATOM 0 H LEU A 65 19.563 -11.281 -1.274 1.00 11.25 H new ATOM 0 HA LEU A 65 19.602 -13.839 -0.083 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.324 -11.878 -0.598 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.200 -13.290 0.434 1.00 34.52 H new ATOM 0 HG LEU A 65 19.187 -11.002 0.807 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.819 -10.481 2.818 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.851 -10.368 1.329 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.695 -11.792 2.385 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.699 -12.081 2.972 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.608 -13.425 2.557 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.085 -13.150 1.603 1.00 30.03 H new ATOM 1068 N HIS A 66 17.992 -13.486 -2.939 1.00 73.23 N ATOM 1069 CA HIS A 66 17.245 -14.146 -4.011 1.00 34.14 C ATOM 1070 C HIS A 66 17.941 -15.414 -4.495 1.00 10.32 C ATOM 1071 O HIS A 66 17.286 -16.433 -4.756 1.00 1.13 O ATOM 1072 CB HIS A 66 17.055 -13.176 -5.181 1.00 25.42 C ATOM 1073 CG HIS A 66 16.030 -13.711 -6.143 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.372 -14.479 -7.249 1.00 11.11 N ATOM 1075 CD2 HIS A 66 14.667 -13.577 -6.190 1.00 15.50 C ATOM 1076 CE1 HIS A 66 15.231 -14.771 -7.906 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.163 -14.244 -7.299 1.00 53.54 N ATOM 0 H HIS A 66 18.197 -12.504 -3.122 1.00 73.23 H new ATOM 0 HA HIS A 66 16.275 -14.437 -3.609 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.739 -12.202 -4.807 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.004 -13.027 -5.696 1.00 25.42 H new ATOM 0 HD2 HIS A 66 14.073 -13.033 -5.471 1.00 15.50 H new ATOM 0 HE1 HIS A 66 15.186 -15.358 -8.811 1.00 44.55 H new ATOM 0 HE2 HIS A 66 13.188 -14.316 -7.588 1.00 53.54 H new ATOM 1086 N SER A 67 19.255 -15.373 -4.611 1.00 14.51 N ATOM 1087 CA SER A 67 19.988 -16.542 -5.074 1.00 21.22 C ATOM 1088 C SER A 67 19.798 -17.727 -4.126 1.00 5.04 C ATOM 1089 O SER A 67 19.920 -18.877 -4.534 1.00 31.30 O ATOM 1090 CB SER A 67 21.462 -16.214 -5.274 1.00 53.23 C ATOM 1091 OG SER A 67 21.934 -15.492 -4.146 1.00 52.30 O ATOM 0 H SER A 67 19.831 -14.559 -4.396 1.00 14.51 H new ATOM 0 HA SER A 67 19.580 -16.834 -6.042 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.037 -17.131 -5.401 1.00 53.23 H new ATOM 0 HB3 SER A 67 21.596 -15.625 -6.181 1.00 53.23 H new ATOM 0 HG SER A 67 22.059 -14.551 -4.389 1.00 52.30 H new ATOM 1097 N HIS A 68 19.381 -17.446 -2.892 1.00 71.23 N ATOM 1098 CA HIS A 68 19.025 -18.508 -1.945 1.00 44.15 C ATOM 1099 C HIS A 68 17.583 -18.964 -2.211 1.00 51.40 C ATOM 1100 O HIS A 68 16.973 -19.673 -1.423 1.00 71.43 O ATOM 1101 CB HIS A 68 19.220 -18.034 -0.474 1.00 24.14 C ATOM 1102 CG HIS A 68 18.565 -18.994 0.504 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.575 -20.372 0.320 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.878 -18.781 1.676 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.914 -20.925 1.358 1.00 31.20 C ATOM 1106 NE2 HIS A 68 17.466 -20.000 2.213 1.00 62.11 N ATOM 0 H HIS A 68 19.281 -16.500 -2.524 1.00 71.23 H new ATOM 0 HA HIS A 68 19.690 -19.359 -2.091 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.284 -17.955 -0.253 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.794 -17.038 -0.351 1.00 24.14 H new ATOM 0 HD2 HIS A 68 17.686 -17.813 2.115 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.765 -21.987 1.483 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.937 -20.153 3.072 1.00 62.11 H new ATOM 1115 N GLY A 69 17.026 -18.502 -3.310 1.00 24.31 N ATOM 1116 CA GLY A 69 15.663 -18.853 -3.651 1.00 1.43 C ATOM 1117 C GLY A 69 14.698 -18.050 -2.827 1.00 24.22 C ATOM 1118 O GLY A 69 13.496 -18.294 -2.859 1.00 54.34 O ATOM 0 H GLY A 69 17.491 -17.887 -3.978 1.00 24.31 H new ATOM 0 HA2 GLY A 69 15.487 -18.670 -4.711 1.00 1.43 H new ATOM 0 HA3 GLY A 69 15.500 -19.917 -3.480 1.00 1.43 H new ATOM 1122 N VAL A 70 15.212 -17.045 -2.137 1.00 14.11 N ATOM 1123 CA VAL A 70 14.354 -16.176 -1.376 1.00 2.23 C ATOM 1124 C VAL A 70 13.586 -15.306 -2.350 1.00 63.41 C ATOM 1125 O VAL A 70 14.177 -14.704 -3.245 1.00 21.42 O ATOM 1126 CB VAL A 70 15.191 -15.314 -0.416 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.281 -14.371 0.378 1.00 73.22 C ATOM 1128 CG2 VAL A 70 15.960 -16.219 0.551 1.00 4.51 C ATOM 0 H VAL A 70 16.206 -16.819 -2.093 1.00 14.11 H new ATOM 0 HA VAL A 70 13.657 -16.760 -0.774 1.00 2.23 H new ATOM 0 HB VAL A 70 15.896 -14.720 -0.998 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.885 -13.766 1.054 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.744 -13.719 -0.310 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.566 -14.956 0.956 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.552 -15.606 1.230 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.255 -16.820 1.126 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.621 -16.877 -0.014 1.00 4.51 H new ATOM 1138 N ARG A 71 12.278 -15.301 -2.231 1.00 60.24 N ATOM 1139 CA ARG A 71 11.446 -14.568 -3.168 1.00 5.14 C ATOM 1140 C ARG A 71 10.220 -13.985 -2.507 1.00 73.44 C ATOM 1141 O ARG A 71 9.739 -12.915 -2.911 1.00 42.30 O ATOM 1142 CB ARG A 71 11.032 -15.465 -4.337 1.00 72.31 C ATOM 1143 CG ARG A 71 12.265 -15.815 -5.175 1.00 42.42 C ATOM 1144 CD ARG A 71 11.849 -16.736 -6.321 1.00 13.23 C ATOM 1145 NE ARG A 71 10.875 -16.057 -7.169 1.00 43.00 N ATOM 1146 CZ ARG A 71 10.245 -16.669 -8.164 1.00 42.14 C ATOM 1147 NH1 ARG A 71 10.512 -17.922 -8.444 1.00 15.55 N ATOM 1148 NH2 ARG A 71 9.358 -16.018 -8.850 1.00 31.11 N ATOM 0 H ARG A 71 11.765 -15.793 -1.499 1.00 60.24 H new ATOM 0 HA ARG A 71 12.045 -13.739 -3.544 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.564 -16.375 -3.962 1.00 72.31 H new ATOM 0 HB3 ARG A 71 10.292 -14.957 -4.955 1.00 72.31 H new ATOM 0 HG2 ARG A 71 12.721 -14.907 -5.570 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.015 -16.304 -4.553 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.723 -17.019 -6.909 1.00 13.23 H new ATOM 0 HD3 ARG A 71 11.421 -17.656 -5.924 1.00 13.23 H new ATOM 0 HE ARG A 71 10.670 -15.074 -6.990 1.00 43.00 H new ATOM 0 HH11 ARG A 71 11.206 -18.430 -7.896 1.00 15.55 H new ATOM 0 HH12 ARG A 71 10.025 -18.388 -9.210 1.00 15.55 H new ATOM 0 HH21 ARG A 71 9.151 -15.046 -8.623 1.00 31.11 H new ATOM 0 HH22 ARG A 71 8.868 -16.478 -9.617 1.00 31.11 H new ATOM 1162 N GLN A 72 9.687 -14.681 -1.518 1.00 22.33 N ATOM 1163 CA GLN A 72 8.484 -14.216 -0.838 1.00 11.22 C ATOM 1164 C GLN A 72 8.454 -14.652 0.611 1.00 63.41 C ATOM 1165 O GLN A 72 9.194 -15.537 1.023 1.00 54.20 O ATOM 1166 CB GLN A 72 7.215 -14.669 -1.578 1.00 72.22 C ATOM 1167 CG GLN A 72 7.111 -16.198 -1.575 1.00 11.44 C ATOM 1168 CD GLN A 72 8.006 -16.798 -2.650 1.00 64.24 C ATOM 1169 OE1 GLN A 72 8.112 -16.215 -3.806 1.00 55.53 O flip ATOM 1170 NE2 GLN A 72 8.625 -17.839 -2.429 1.00 55.43 N flip ATOM 0 H GLN A 72 10.062 -15.563 -1.168 1.00 22.33 H new ATOM 0 HA GLN A 72 8.508 -13.126 -0.850 1.00 11.22 H new ATOM 0 HB2 GLN A 72 6.335 -14.237 -1.101 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.234 -14.302 -2.604 1.00 72.22 H new ATOM 0 HG2 GLN A 72 7.398 -16.585 -0.597 1.00 11.44 H new ATOM 0 HG3 GLN A 72 6.077 -16.498 -1.746 1.00 11.44 H new ATOM 0 HE21 GLN A 72 8.543 -18.298 -1.522 1.00 55.43 H new ATOM 0 HE22 GLN A 72 9.220 -18.242 -3.153 1.00 55.43 H new ATOM 1179 N ASN A 73 7.589 -14.026 1.382 1.00 71.53 N ATOM 1180 CA ASN A 73 7.475 -14.329 2.796 1.00 20.42 C ATOM 1181 C ASN A 73 7.332 -15.826 3.009 1.00 52.02 C ATOM 1182 O ASN A 73 6.589 -16.504 2.284 1.00 44.32 O ATOM 1183 CB ASN A 73 6.288 -13.587 3.419 1.00 43.42 C ATOM 1184 CG ASN A 73 4.983 -14.312 3.105 1.00 52.31 C ATOM 1185 OD1 ASN A 73 4.679 -14.572 1.875 1.00 70.33 O flip ATOM 1186 ND2 ASN A 73 4.221 -14.653 4.013 1.00 55.51 N flip ATOM 0 H ASN A 73 6.952 -13.301 1.053 1.00 71.53 H new ATOM 0 HA ASN A 73 8.386 -13.992 3.290 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.421 -13.516 4.498 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.246 -12.568 3.035 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.460 -14.448 4.983 1.00 55.51 H new ATOM 0 HD22 ASN A 73 3.352 -15.140 3.794 1.00 55.51 H new ATOM 1193 N GLY A 74 8.045 -16.337 3.985 1.00 42.33 N ATOM 1194 CA GLY A 74 8.032 -17.761 4.263 1.00 72.21 C ATOM 1195 C GLY A 74 9.311 -18.436 3.780 1.00 53.51 C ATOM 1196 O GLY A 74 9.474 -19.651 3.933 1.00 53.41 O ATOM 0 H GLY A 74 8.644 -15.790 4.603 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.916 -17.923 5.335 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.171 -18.220 3.777 1.00 72.21 H new ATOM 1200 N ASP A 75 10.247 -17.645 3.264 1.00 74.32 N ATOM 1201 CA ASP A 75 11.557 -18.172 2.905 1.00 40.23 C ATOM 1202 C ASP A 75 12.348 -18.432 4.176 1.00 33.23 C ATOM 1203 O ASP A 75 12.037 -17.861 5.230 1.00 22.31 O ATOM 1204 CB ASP A 75 12.309 -17.231 1.950 1.00 54.44 C ATOM 1205 CG ASP A 75 11.782 -17.401 0.526 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.649 -18.533 0.094 1.00 43.04 O ATOM 1207 OD2 ASP A 75 11.500 -16.408 -0.113 1.00 41.44 O ATOM 0 H ASP A 75 10.124 -16.648 3.087 1.00 74.32 H new ATOM 0 HA ASP A 75 11.428 -19.110 2.365 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.184 -16.197 2.272 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.377 -17.447 1.980 1.00 54.44 H new ATOM 1212 N SER A 76 13.226 -19.412 4.142 1.00 54.11 N ATOM 1213 CA SER A 76 13.890 -19.858 5.361 1.00 54.23 C ATOM 1214 C SER A 76 15.421 -19.915 5.204 1.00 1.51 C ATOM 1215 O SER A 76 15.942 -20.088 4.091 1.00 74.44 O ATOM 1216 CB SER A 76 13.331 -21.224 5.755 1.00 52.41 C ATOM 1217 OG SER A 76 11.935 -21.248 5.455 1.00 21.32 O ATOM 0 H SER A 76 13.498 -19.914 3.297 1.00 54.11 H new ATOM 0 HA SER A 76 13.690 -19.133 6.150 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.848 -22.015 5.213 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.493 -21.407 6.817 1.00 52.41 H new ATOM 0 HG SER A 76 11.467 -20.602 6.025 1.00 21.32 H new ATOM 1223 N ALA A 77 16.134 -19.735 6.319 1.00 33.13 N ATOM 1224 CA ALA A 77 17.604 -19.755 6.324 1.00 74.42 C ATOM 1225 C ALA A 77 18.142 -20.349 7.627 1.00 71.15 C ATOM 1226 O ALA A 77 17.389 -20.550 8.587 1.00 14.41 O ATOM 1227 CB ALA A 77 18.168 -18.344 6.123 1.00 5.24 C ATOM 0 H ALA A 77 15.717 -19.573 7.236 1.00 33.13 H new ATOM 0 HA ALA A 77 17.928 -20.385 5.496 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.257 -18.383 6.130 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.825 -17.948 5.167 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.823 -17.696 6.929 1.00 5.24 H new ATOM 1233 N TYR A 78 19.437 -20.656 7.647 1.00 12.02 N ATOM 1234 CA TYR A 78 20.064 -21.270 8.816 1.00 11.21 C ATOM 1235 C TYR A 78 21.180 -20.390 9.388 1.00 11.53 C ATOM 1236 O TYR A 78 22.059 -19.926 8.654 1.00 70.42 O ATOM 1237 CB TYR A 78 20.620 -22.651 8.449 1.00 33.45 C ATOM 1238 CG TYR A 78 20.042 -23.690 9.371 1.00 43.33 C ATOM 1239 CD1 TYR A 78 20.326 -23.642 10.734 1.00 61.00 C ATOM 1240 CD2 TYR A 78 19.216 -24.700 8.863 1.00 21.22 C ATOM 1241 CE1 TYR A 78 19.791 -24.599 11.592 1.00 1.34 C ATOM 1242 CE2 TYR A 78 18.679 -25.661 9.722 1.00 41.13 C ATOM 1243 CZ TYR A 78 18.967 -25.611 11.090 1.00 43.02 C ATOM 1244 OH TYR A 78 18.442 -26.558 11.945 1.00 40.42 O ATOM 0 H TYR A 78 20.073 -20.490 6.867 1.00 12.02 H new ATOM 0 HA TYR A 78 19.299 -21.378 9.585 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.373 -22.890 7.415 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.707 -22.648 8.524 1.00 33.45 H new ATOM 0 HD1 TYR A 78 20.962 -22.862 11.125 1.00 61.00 H new ATOM 0 HD2 TYR A 78 18.994 -24.736 7.807 1.00 21.22 H new ATOM 0 HE1 TYR A 78 20.013 -24.560 12.648 1.00 1.34 H new ATOM 0 HE2 TYR A 78 18.043 -26.441 9.331 1.00 41.13 H new ATOM 0 HH TYR A 78 19.171 -27.013 12.416 1.00 40.42 H new ATOM 1254 N LEU A 79 21.165 -20.211 10.701 1.00 25.24 N ATOM 1255 CA LEU A 79 22.189 -19.445 11.408 1.00 53.21 C ATOM 1256 C LEU A 79 22.750 -20.285 12.556 1.00 53.55 C ATOM 1257 O LEU A 79 22.042 -21.140 13.120 1.00 62.25 O ATOM 1258 CB LEU A 79 21.588 -18.132 11.948 1.00 53.33 C ATOM 1259 CG LEU A 79 22.704 -17.163 12.385 1.00 44.43 C ATOM 1260 CD1 LEU A 79 22.183 -15.724 12.328 1.00 75.51 C ATOM 1261 CD2 LEU A 79 23.154 -17.477 13.817 1.00 71.21 C ATOM 0 H LEU A 79 20.442 -20.593 11.310 1.00 25.24 H new ATOM 0 HA LEU A 79 22.997 -19.197 10.719 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.973 -17.664 11.179 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.933 -18.346 12.793 1.00 53.33 H new ATOM 0 HG LEU A 79 23.552 -17.280 11.710 1.00 44.43 H new ATOM 0 HD11 LEU A 79 22.972 -15.039 12.637 1.00 75.51 H new ATOM 0 HD12 LEU A 79 21.876 -15.488 11.309 1.00 75.51 H new ATOM 0 HD13 LEU A 79 21.329 -15.619 12.997 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.942 -16.784 14.111 1.00 71.21 H new ATOM 0 HD22 LEU A 79 22.307 -17.372 14.496 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.532 -18.498 13.864 1.00 71.21 H new ATOM 1273 N TYR A 80 24.017 -20.089 12.874 1.00 5.12 N ATOM 1274 CA TYR A 80 24.661 -20.855 13.936 1.00 41.02 C ATOM 1275 C TYR A 80 25.314 -19.919 14.941 1.00 42.44 C ATOM 1276 O TYR A 80 26.097 -19.055 14.563 1.00 55.24 O ATOM 1277 CB TYR A 80 25.712 -21.788 13.335 1.00 20.13 C ATOM 1278 CG TYR A 80 26.268 -22.681 14.415 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.510 -23.755 14.879 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.536 -22.439 14.948 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.009 -24.587 15.872 1.00 34.21 C ATOM 1282 CE2 TYR A 80 28.041 -23.276 15.946 1.00 4.45 C ATOM 1283 CZ TYR A 80 27.273 -24.352 16.407 1.00 1.20 C ATOM 1284 OH TYR A 80 27.766 -25.179 17.388 1.00 2.11 O ATOM 0 H TYR A 80 24.623 -19.408 12.416 1.00 5.12 H new ATOM 0 HA TYR A 80 23.905 -21.448 14.451 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.268 -22.391 12.543 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.514 -21.206 12.881 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.530 -23.941 14.464 1.00 60.13 H new ATOM 0 HD2 TYR A 80 28.124 -21.607 14.590 1.00 32.42 H new ATOM 0 HE1 TYR A 80 25.417 -25.416 16.230 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.021 -23.094 16.361 1.00 4.45 H new ATOM 0 HH TYR A 80 28.660 -24.877 17.651 1.00 2.11 H new ATOM 1294 N LEU A 81 25.021 -20.113 16.219 1.00 0.03 N ATOM 1295 CA LEU A 81 25.618 -19.289 17.264 1.00 31.14 C ATOM 1296 C LEU A 81 26.534 -20.106 18.149 1.00 52.43 C ATOM 1297 O LEU A 81 26.156 -21.152 18.657 1.00 25.33 O ATOM 1298 CB LEU A 81 24.543 -18.611 18.122 1.00 11.44 C ATOM 1299 CG LEU A 81 23.702 -17.664 17.256 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.576 -17.066 18.101 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.582 -16.524 16.724 1.00 62.13 C ATOM 0 H LEU A 81 24.378 -20.829 16.557 1.00 0.03 H new ATOM 0 HA LEU A 81 26.206 -18.518 16.766 1.00 31.14 H new ATOM 0 HB2 LEU A 81 23.902 -19.365 18.579 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.011 -18.055 18.934 1.00 11.44 H new ATOM 0 HG LEU A 81 23.284 -18.224 16.420 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.978 -16.393 17.486 1.00 74.33 H new ATOM 0 HD12 LEU A 81 21.943 -17.867 18.483 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.003 -16.511 18.936 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.979 -15.855 16.110 1.00 62.13 H new ATOM 0 HD22 LEU A 81 25.002 -15.967 17.562 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.390 -16.939 16.122 1.00 62.13 H new ATOM 1313 N LEU A 82 27.703 -19.580 18.400 1.00 41.20 N ATOM 1314 CA LEU A 82 28.635 -20.216 19.314 1.00 33.24 C ATOM 1315 C LEU A 82 28.209 -19.924 20.740 1.00 52.35 C ATOM 1316 O LEU A 82 27.347 -19.077 20.971 1.00 61.23 O ATOM 1317 CB LEU A 82 30.070 -19.710 19.076 1.00 34.41 C ATOM 1318 CG LEU A 82 30.677 -20.348 17.807 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.115 -21.784 18.097 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.662 -20.349 16.657 1.00 74.54 C ATOM 0 H LEU A 82 28.040 -18.711 17.987 1.00 41.20 H new ATOM 0 HA LEU A 82 28.625 -21.292 19.139 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.065 -18.625 18.975 1.00 34.41 H new ATOM 0 HB3 LEU A 82 30.691 -19.947 19.940 1.00 34.41 H new ATOM 0 HG LEU A 82 31.543 -19.755 17.512 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.541 -22.224 17.195 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.864 -21.783 18.889 1.00 4.22 H new ATOM 0 HD13 LEU A 82 30.253 -22.371 18.414 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.113 -20.803 15.774 1.00 74.54 H new ATOM 0 HD22 LEU A 82 28.781 -20.921 16.950 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.370 -19.324 16.429 1.00 74.54 H new