USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 28 ASN :FLIP amide:sc= -2.08 F(o=-9.8!,f=-7.5) USER MOD Set 1.2: A 37 MET CE :methyl -172:sc= -5.45! (180deg=-4.02!) USER MOD Set 2.1: A 10 ASN :FLIP amide:sc= -1.34 F(o=-2.3!,f=-1.2) USER MOD Set 2.2: A 11 THR OG1 : rot 52:sc= 0.114 USER MOD Single : A 9 SER OG : rot 115:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.298 K(o=-0.3,f=-4.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 56 SER OG : rot -109:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.027 (180deg=-0.241) USER MOD Single : A 65 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.609 F(o=-1.2,f=-0.61) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.266 USER MOD Single : A 79 SER OG : rot 160:sc=-0.000381 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.244 -8.536 0.293 1.00 0.00 N ATOM 2 CA GLU A 7 8.204 -8.906 1.703 1.00 0.00 C ATOM 3 C GLU A 7 8.829 -10.281 1.922 1.00 0.00 C ATOM 4 O GLU A 7 9.464 -10.531 2.948 1.00 0.00 O ATOM 5 CB GLU A 7 6.762 -8.901 2.215 1.00 0.00 C ATOM 6 CG GLU A 7 5.926 -10.056 1.689 1.00 0.00 C ATOM 7 CD GLU A 7 4.508 -10.040 2.224 1.00 0.00 C ATOM 8 OE1 GLU A 7 4.162 -9.091 2.959 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.743 -10.975 1.908 1.00 0.00 O ATOM 0 HA GLU A 7 8.782 -8.170 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.772 -8.937 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.288 -7.961 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.900 -10.015 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.402 -10.998 1.961 1.00 0.00 H new ATOM 16 N LEU A 8 8.643 -11.170 0.953 1.00 0.00 N ATOM 17 CA LEU A 8 9.187 -12.521 1.038 1.00 0.00 C ATOM 18 C LEU A 8 10.659 -12.541 0.637 1.00 0.00 C ATOM 19 O LEU A 8 11.188 -11.553 0.128 1.00 0.00 O ATOM 20 CB LEU A 8 8.389 -13.471 0.144 1.00 0.00 C ATOM 21 CG LEU A 8 8.315 -13.094 -1.337 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.563 -13.560 -2.069 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.067 -13.687 -1.975 1.00 0.00 C ATOM 0 H LEU A 8 8.119 -10.980 0.099 1.00 0.00 H new ATOM 0 HA LEU A 8 9.107 -12.854 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.826 -14.466 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.373 -13.537 0.533 1.00 0.00 H new ATOM 0 HG LEU A 8 8.258 -12.008 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.493 -13.283 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.441 -13.088 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.652 -14.643 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.030 -13.409 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.094 -14.773 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.182 -13.304 -1.467 1.00 0.00 H new ATOM 35 N SER A 9 11.314 -13.675 0.869 1.00 0.00 N ATOM 36 CA SER A 9 12.725 -13.824 0.533 1.00 0.00 C ATOM 37 C SER A 9 12.901 -14.721 -0.689 1.00 0.00 C ATOM 38 O SER A 9 11.941 -15.312 -1.182 1.00 0.00 O ATOM 39 CB SER A 9 13.495 -14.404 1.721 1.00 0.00 C ATOM 40 OG SER A 9 13.885 -13.384 2.623 1.00 0.00 O ATOM 0 H SER A 9 10.890 -14.503 1.288 1.00 0.00 H new ATOM 0 HA SER A 9 13.123 -12.837 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.874 -15.134 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.378 -14.934 1.363 1.00 0.00 H new ATOM 0 HG SER A 9 13.422 -13.508 3.478 1.00 0.00 H new ATOM 46 N ASN A 10 14.135 -14.817 -1.172 1.00 0.00 N ATOM 47 CA ASN A 10 14.438 -15.642 -2.336 1.00 0.00 C ATOM 48 C ASN A 10 14.707 -17.086 -1.925 1.00 0.00 C ATOM 49 O ASN A 10 14.341 -18.024 -2.635 1.00 0.00 O ATOM 50 CB ASN A 10 15.649 -15.079 -3.084 1.00 0.00 C ATOM 51 CG ASN A 10 16.959 -15.646 -2.572 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.507 -16.615 -3.296 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 17.472 -15.218 -1.538 1.00 0.00 N flip ATOM 0 H ASN A 10 14.941 -14.334 -0.776 1.00 0.00 H new ATOM 0 HA ASN A 10 13.571 -15.627 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.551 -15.300 -4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.662 -13.994 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.016 -14.472 -1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.353 -15.609 -1.206 1.00 0.00 H new ATOM 60 N THR A 11 15.347 -17.259 -0.773 1.00 0.00 N ATOM 61 CA THR A 11 15.665 -18.588 -0.267 1.00 0.00 C ATOM 62 C THR A 11 15.571 -18.634 1.254 1.00 0.00 C ATOM 63 O THR A 11 16.550 -18.373 1.954 1.00 0.00 O ATOM 64 CB THR A 11 17.077 -19.030 -0.696 1.00 0.00 C ATOM 65 OG1 THR A 11 18.003 -17.952 -0.517 1.00 0.00 O ATOM 66 CG2 THR A 11 17.085 -19.476 -2.151 1.00 0.00 C ATOM 0 H THR A 11 15.655 -16.494 -0.172 1.00 0.00 H new ATOM 0 HA THR A 11 14.933 -19.272 -0.695 1.00 0.00 H new ATOM 0 HB THR A 11 17.376 -19.872 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.930 -17.606 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.092 -19.784 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.401 -20.315 -2.278 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.768 -18.649 -2.787 1.00 0.00 H new ATOM 74 N ARG A 12 14.389 -18.969 1.759 1.00 0.00 N ATOM 75 CA ARG A 12 14.167 -19.049 3.198 1.00 0.00 C ATOM 76 C ARG A 12 12.720 -19.420 3.506 1.00 0.00 C ATOM 77 O ARG A 12 11.792 -18.692 3.149 1.00 0.00 O ATOM 78 CB ARG A 12 14.517 -17.717 3.864 1.00 0.00 C ATOM 79 CG ARG A 12 15.408 -17.863 5.087 1.00 0.00 C ATOM 80 CD ARG A 12 16.318 -16.657 5.260 1.00 0.00 C ATOM 81 NE ARG A 12 15.569 -15.404 5.277 1.00 0.00 N ATOM 82 CZ ARG A 12 16.138 -14.208 5.385 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.456 -14.105 5.483 1.00 0.00 N ATOM 84 NH2 ARG A 12 15.389 -13.114 5.393 1.00 0.00 N ATOM 0 H ARG A 12 13.570 -19.190 1.193 1.00 0.00 H new ATOM 0 HA ARG A 12 14.816 -19.829 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.015 -17.077 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.595 -17.212 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.790 -17.984 5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.012 -18.765 4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.879 -16.757 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.046 -16.633 4.449 1.00 0.00 H new ATOM 0 HE ARG A 12 14.553 -15.449 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.035 -14.945 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.891 -13.186 5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.375 -13.190 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.827 -12.197 5.476 1.00 0.00 H new ATOM 98 N LEU A 13 12.533 -20.555 4.169 1.00 0.00 N ATOM 99 CA LEU A 13 11.198 -21.023 4.525 1.00 0.00 C ATOM 100 C LEU A 13 11.075 -21.225 6.032 1.00 0.00 C ATOM 101 O LEU A 13 11.858 -21.957 6.637 1.00 0.00 O ATOM 102 CB LEU A 13 10.884 -22.332 3.797 1.00 0.00 C ATOM 103 CG LEU A 13 11.746 -22.642 2.573 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.416 -24.022 2.024 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.551 -21.579 1.501 1.00 0.00 C ATOM 0 H LEU A 13 13.289 -21.169 4.471 1.00 0.00 H new ATOM 0 HA LEU A 13 10.480 -20.262 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.987 -23.153 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.840 -22.310 3.485 1.00 0.00 H new ATOM 0 HG LEU A 13 12.793 -22.635 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.039 -24.226 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.606 -24.773 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.366 -24.057 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.172 -21.815 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.504 -21.554 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.837 -20.605 1.898 1.00 0.00 H new ATOM 117 N PHE A 14 10.086 -20.571 6.632 1.00 0.00 N ATOM 118 CA PHE A 14 9.860 -20.678 8.069 1.00 0.00 C ATOM 119 C PHE A 14 8.823 -21.755 8.377 1.00 0.00 C ATOM 120 O PHE A 14 7.688 -21.693 7.904 1.00 0.00 O ATOM 121 CB PHE A 14 9.400 -19.334 8.636 1.00 0.00 C ATOM 122 CG PHE A 14 8.524 -19.464 9.850 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.050 -19.899 11.056 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.177 -19.150 9.786 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.247 -20.020 12.174 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.368 -19.268 10.901 1.00 0.00 C ATOM 127 CZ PHE A 14 6.905 -19.703 12.097 1.00 0.00 C ATOM 0 H PHE A 14 9.428 -19.961 6.146 1.00 0.00 H new ATOM 0 HA PHE A 14 10.802 -20.959 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.276 -18.738 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.858 -18.789 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.099 -20.146 11.123 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.753 -18.809 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.669 -20.362 13.108 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.319 -19.021 10.837 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.276 -19.795 12.970 1.00 0.00 H new ATOM 137 N VAL A 15 9.222 -22.742 9.172 1.00 0.00 N ATOM 138 CA VAL A 15 8.328 -23.833 9.544 1.00 0.00 C ATOM 139 C VAL A 15 7.784 -23.640 10.955 1.00 0.00 C ATOM 140 O VAL A 15 8.290 -22.819 11.720 1.00 0.00 O ATOM 141 CB VAL A 15 9.042 -25.195 9.463 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.031 -26.317 9.277 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.063 -25.195 8.336 1.00 0.00 C ATOM 0 H VAL A 15 10.158 -22.809 9.571 1.00 0.00 H new ATOM 0 HA VAL A 15 7.501 -23.822 8.834 1.00 0.00 H new ATOM 0 HB VAL A 15 9.570 -25.365 10.401 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.553 -27.272 9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.341 -26.329 10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.473 -26.155 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.558 -26.165 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.559 -25.003 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.805 -24.417 8.517 1.00 0.00 H new ATOM 153 N ARG A 16 6.750 -24.403 11.294 1.00 0.00 N ATOM 154 CA ARG A 16 6.135 -24.315 12.613 1.00 0.00 C ATOM 155 C ARG A 16 7.001 -25.006 13.663 1.00 0.00 C ATOM 156 O ARG A 16 7.955 -25.717 13.346 1.00 0.00 O ATOM 157 CB ARG A 16 4.741 -24.944 12.593 1.00 0.00 C ATOM 158 CG ARG A 16 3.614 -23.925 12.557 1.00 0.00 C ATOM 159 CD ARG A 16 2.279 -24.558 12.915 1.00 0.00 C ATOM 160 NE ARG A 16 1.188 -23.587 12.892 1.00 0.00 N ATOM 161 CZ ARG A 16 0.033 -23.764 13.524 1.00 0.00 C ATOM 162 NH1 ARG A 16 -0.180 -24.869 14.225 1.00 0.00 N ATOM 163 NH2 ARG A 16 -0.911 -22.833 13.457 1.00 0.00 N ATOM 0 H ARG A 16 6.321 -25.089 10.673 1.00 0.00 H new ATOM 0 HA ARG A 16 6.046 -23.261 12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.658 -25.596 11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.623 -25.573 13.475 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.832 -23.115 13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.553 -23.483 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.061 -25.364 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.345 -25.006 13.907 1.00 0.00 H new ATOM 0 HE ARG A 16 1.320 -22.726 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.544 -25.586 14.280 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.068 -25.003 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.750 -21.981 12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.798 -22.970 13.943 1.00 0.00 H new ATOM 177 N PRO A 17 6.663 -24.794 14.943 1.00 0.00 N ATOM 178 CA PRO A 17 7.396 -25.387 16.065 1.00 0.00 C ATOM 179 C PRO A 17 7.191 -26.895 16.159 1.00 0.00 C ATOM 180 O PRO A 17 6.059 -27.374 16.239 1.00 0.00 O ATOM 181 CB PRO A 17 6.798 -24.688 17.289 1.00 0.00 C ATOM 182 CG PRO A 17 5.433 -24.276 16.860 1.00 0.00 C ATOM 183 CD PRO A 17 5.537 -23.958 15.394 1.00 0.00 C ATOM 0 HA PRO A 17 8.473 -25.253 15.965 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.758 -25.358 18.147 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.397 -23.827 17.585 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.711 -25.074 17.036 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.092 -23.408 17.424 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.617 -24.203 14.863 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.730 -22.899 15.225 1.00 0.00 H new ATOM 191 N PHE A 18 8.292 -27.639 16.149 1.00 0.00 N ATOM 192 CA PHE A 18 8.232 -29.094 16.233 1.00 0.00 C ATOM 193 C PHE A 18 8.355 -29.561 17.681 1.00 0.00 C ATOM 194 O PHE A 18 8.859 -28.847 18.549 1.00 0.00 O ATOM 195 CB PHE A 18 9.342 -29.721 15.387 1.00 0.00 C ATOM 196 CG PHE A 18 9.195 -29.456 13.916 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.638 -28.265 13.365 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.614 -30.399 13.083 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.506 -28.018 12.011 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.479 -30.159 11.729 1.00 0.00 C ATOM 201 CZ PHE A 18 8.924 -28.966 11.193 1.00 0.00 C ATOM 0 H PHE A 18 9.236 -27.259 16.084 1.00 0.00 H new ATOM 0 HA PHE A 18 7.265 -29.416 15.847 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.305 -29.337 15.723 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.352 -30.798 15.555 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.092 -27.520 14.001 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.263 -31.333 13.497 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.857 -27.086 11.594 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.026 -30.903 11.090 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.817 -28.775 10.135 1.00 0.00 H new ATOM 211 N PRO A 19 7.884 -30.788 17.948 1.00 0.00 N ATOM 212 CA PRO A 19 7.930 -31.378 19.289 1.00 0.00 C ATOM 213 C PRO A 19 9.351 -31.723 19.723 1.00 0.00 C ATOM 214 O PRO A 19 10.322 -31.200 19.174 1.00 0.00 O ATOM 215 CB PRO A 19 7.092 -32.651 19.145 1.00 0.00 C ATOM 216 CG PRO A 19 7.179 -33.000 17.700 1.00 0.00 C ATOM 217 CD PRO A 19 7.271 -31.693 16.962 1.00 0.00 C ATOM 0 HA PRO A 19 7.560 -30.690 20.049 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.482 -33.454 19.770 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.059 -32.482 19.450 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.051 -33.623 17.501 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.304 -33.567 17.382 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.881 -31.781 16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.289 -31.339 16.647 1.00 0.00 H new ATOM 225 N LEU A 20 9.466 -32.605 20.709 1.00 0.00 N ATOM 226 CA LEU A 20 10.770 -33.020 21.216 1.00 0.00 C ATOM 227 C LEU A 20 11.673 -33.486 20.079 1.00 0.00 C ATOM 228 O LEU A 20 12.897 -33.502 20.212 1.00 0.00 O ATOM 229 CB LEU A 20 10.605 -34.140 22.245 1.00 0.00 C ATOM 230 CG LEU A 20 9.727 -35.317 21.821 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.539 -36.332 21.031 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.089 -35.972 23.037 1.00 0.00 C ATOM 0 H LEU A 20 8.673 -33.047 21.174 1.00 0.00 H new ATOM 0 HA LEU A 20 11.237 -32.160 21.696 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.594 -34.523 22.497 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.187 -33.711 23.156 1.00 0.00 H new ATOM 0 HG LEU A 20 8.932 -34.939 21.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.897 -37.163 20.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.947 -35.857 20.139 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.356 -36.705 21.649 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.467 -36.808 22.716 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.869 -36.336 23.706 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.473 -35.242 23.562 1.00 0.00 H new ATOM 244 N ASP A 21 11.061 -33.862 18.962 1.00 0.00 N ATOM 245 CA ASP A 21 11.810 -34.326 17.799 1.00 0.00 C ATOM 246 C ASP A 21 12.197 -33.156 16.900 1.00 0.00 C ATOM 247 O ASP A 21 12.429 -33.330 15.703 1.00 0.00 O ATOM 248 CB ASP A 21 10.987 -35.344 17.008 1.00 0.00 C ATOM 249 CG ASP A 21 11.854 -36.267 16.174 1.00 0.00 C ATOM 250 OD1 ASP A 21 13.087 -36.071 16.160 1.00 0.00 O ATOM 251 OD2 ASP A 21 11.299 -37.186 15.537 1.00 0.00 O ATOM 0 H ASP A 21 10.049 -33.855 18.837 1.00 0.00 H new ATOM 0 HA ASP A 21 12.722 -34.806 18.153 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.388 -35.938 17.699 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.291 -34.816 16.356 1.00 0.00 H new ATOM 256 N VAL A 22 12.262 -31.964 17.484 1.00 0.00 N ATOM 257 CA VAL A 22 12.620 -30.765 16.735 1.00 0.00 C ATOM 258 C VAL A 22 14.125 -30.690 16.504 1.00 0.00 C ATOM 259 O VAL A 22 14.861 -30.137 17.321 1.00 0.00 O ATOM 260 CB VAL A 22 12.160 -29.489 17.465 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.653 -29.490 18.905 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.645 -28.250 16.728 1.00 0.00 C ATOM 0 H VAL A 22 12.072 -31.803 18.473 1.00 0.00 H new ATOM 0 HA VAL A 22 12.110 -30.829 15.774 1.00 0.00 H new ATOM 0 HB VAL A 22 11.070 -29.472 17.479 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.318 -28.581 19.405 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.252 -30.359 19.426 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.742 -29.530 18.917 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.311 -27.358 17.257 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.734 -28.258 16.681 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.238 -28.245 15.717 1.00 0.00 H new ATOM 272 N GLN A 23 14.575 -31.250 15.386 1.00 0.00 N ATOM 273 CA GLN A 23 15.994 -31.247 15.047 1.00 0.00 C ATOM 274 C GLN A 23 16.193 -31.187 13.536 1.00 0.00 C ATOM 275 O GLN A 23 15.230 -31.236 12.772 1.00 0.00 O ATOM 276 CB GLN A 23 16.678 -32.491 15.615 1.00 0.00 C ATOM 277 CG GLN A 23 16.076 -33.796 15.118 1.00 0.00 C ATOM 278 CD GLN A 23 16.496 -34.988 15.955 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.994 -35.985 15.430 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.298 -34.892 17.264 1.00 0.00 N ATOM 0 H GLN A 23 13.978 -31.712 14.699 1.00 0.00 H new ATOM 0 HA GLN A 23 16.446 -30.359 15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.736 -32.465 15.353 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.618 -32.464 16.703 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.989 -33.716 15.126 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.376 -33.960 14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.882 -34.047 17.656 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.562 -35.663 17.878 1.00 0.00 H new ATOM 289 N GLU A 24 17.448 -31.079 13.114 1.00 0.00 N ATOM 290 CA GLU A 24 17.772 -31.011 11.694 1.00 0.00 C ATOM 291 C GLU A 24 17.493 -32.345 11.007 1.00 0.00 C ATOM 292 O GLU A 24 17.276 -32.399 9.797 1.00 0.00 O ATOM 293 CB GLU A 24 19.240 -30.624 11.501 1.00 0.00 C ATOM 294 CG GLU A 24 20.214 -31.738 11.845 1.00 0.00 C ATOM 295 CD GLU A 24 21.644 -31.399 11.470 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.931 -30.204 11.246 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.475 -32.328 11.399 1.00 0.00 O ATOM 0 H GLU A 24 18.257 -31.037 13.734 1.00 0.00 H new ATOM 0 HA GLU A 24 17.139 -30.248 11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.395 -30.325 10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.462 -29.755 12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.162 -31.944 12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.914 -32.650 11.330 1.00 0.00 H new ATOM 304 N SER A 25 17.501 -33.420 11.790 1.00 0.00 N ATOM 305 CA SER A 25 17.253 -34.755 11.258 1.00 0.00 C ATOM 306 C SER A 25 15.926 -34.802 10.505 1.00 0.00 C ATOM 307 O SER A 25 15.854 -35.307 9.385 1.00 0.00 O ATOM 308 CB SER A 25 17.247 -35.785 12.389 1.00 0.00 C ATOM 309 OG SER A 25 17.270 -37.105 11.876 1.00 0.00 O ATOM 0 H SER A 25 17.676 -33.392 12.794 1.00 0.00 H new ATOM 0 HA SER A 25 18.055 -34.996 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.112 -35.627 13.034 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.359 -35.647 13.006 1.00 0.00 H new ATOM 0 HG SER A 25 17.267 -37.745 12.618 1.00 0.00 H new ATOM 315 N GLU A 26 14.880 -34.271 11.129 1.00 0.00 N ATOM 316 CA GLU A 26 13.555 -34.253 10.519 1.00 0.00 C ATOM 317 C GLU A 26 13.483 -33.211 9.407 1.00 0.00 C ATOM 318 O GLU A 26 12.889 -33.449 8.355 1.00 0.00 O ATOM 319 CB GLU A 26 12.486 -33.964 11.575 1.00 0.00 C ATOM 320 CG GLU A 26 12.848 -32.822 12.510 1.00 0.00 C ATOM 321 CD GLU A 26 11.645 -32.273 13.253 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.788 -33.079 13.672 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.561 -31.038 13.414 1.00 0.00 O ATOM 0 H GLU A 26 14.924 -33.848 12.056 1.00 0.00 H new ATOM 0 HA GLU A 26 13.369 -35.236 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.547 -33.729 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.316 -34.865 12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.589 -33.168 13.231 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.313 -32.020 11.936 1.00 0.00 H new ATOM 330 N LEU A 27 14.090 -32.054 9.649 1.00 0.00 N ATOM 331 CA LEU A 27 14.095 -30.973 8.669 1.00 0.00 C ATOM 332 C LEU A 27 14.794 -31.406 7.384 1.00 0.00 C ATOM 333 O LEU A 27 14.417 -30.988 6.290 1.00 0.00 O ATOM 334 CB LEU A 27 14.785 -29.737 9.248 1.00 0.00 C ATOM 335 CG LEU A 27 14.127 -29.115 10.480 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.269 -27.601 10.454 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.661 -29.515 10.560 1.00 0.00 C ATOM 0 H LEU A 27 14.585 -31.840 10.515 1.00 0.00 H new ATOM 0 HA LEU A 27 13.060 -30.726 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.810 -30.005 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.840 -28.978 8.468 1.00 0.00 H new ATOM 0 HG LEU A 27 14.634 -29.491 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.795 -27.176 11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.326 -27.335 10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.788 -27.206 9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.208 -29.064 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.140 -29.168 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.583 -30.600 10.627 1.00 0.00 H new ATOM 349 N ASN A 28 15.813 -32.247 7.526 1.00 0.00 N ATOM 350 CA ASN A 28 16.564 -32.738 6.376 1.00 0.00 C ATOM 351 C ASN A 28 15.830 -33.893 5.700 1.00 0.00 C ATOM 352 O ASN A 28 15.761 -33.963 4.474 1.00 0.00 O ATOM 353 CB ASN A 28 17.961 -33.189 6.808 1.00 0.00 C ATOM 354 CG ASN A 28 18.945 -32.037 6.876 1.00 0.00 C ATOM 355 OD1 ASN A 28 18.754 -31.154 7.849 1.00 0.00 O flip ATOM 356 ND2 ASN A 28 19.865 -31.944 6.063 1.00 0.00 N flip ATOM 0 H ASN A 28 16.138 -32.603 8.425 1.00 0.00 H new ATOM 0 HA ASN A 28 16.659 -31.922 5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.899 -33.669 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.331 -33.938 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.972 -32.647 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.520 -31.164 6.121 1.00 0.00 H new ATOM 363 N GLU A 29 15.285 -34.795 6.510 1.00 0.00 N ATOM 364 CA GLU A 29 14.557 -35.947 5.990 1.00 0.00 C ATOM 365 C GLU A 29 13.233 -35.517 5.365 1.00 0.00 C ATOM 366 O GLU A 29 12.634 -36.257 4.584 1.00 0.00 O ATOM 367 CB GLU A 29 14.302 -36.963 7.105 1.00 0.00 C ATOM 368 CG GLU A 29 15.568 -37.612 7.639 1.00 0.00 C ATOM 369 CD GLU A 29 15.981 -38.832 6.838 1.00 0.00 C ATOM 370 OE1 GLU A 29 16.500 -38.656 5.716 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.785 -39.961 7.333 1.00 0.00 O ATOM 0 H GLU A 29 15.334 -34.751 7.528 1.00 0.00 H new ATOM 0 HA GLU A 29 15.169 -36.413 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.784 -36.467 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.635 -37.740 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.378 -36.883 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.413 -37.900 8.679 1.00 0.00 H new ATOM 378 N ILE A 30 12.783 -34.317 5.715 1.00 0.00 N ATOM 379 CA ILE A 30 11.531 -33.788 5.189 1.00 0.00 C ATOM 380 C ILE A 30 11.779 -32.876 3.993 1.00 0.00 C ATOM 381 O ILE A 30 11.250 -33.104 2.904 1.00 0.00 O ATOM 382 CB ILE A 30 10.754 -33.005 6.265 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.251 -33.955 7.354 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.593 -32.250 5.635 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.950 -33.264 8.666 1.00 0.00 C ATOM 0 H ILE A 30 13.267 -33.693 6.361 1.00 0.00 H new ATOM 0 HA ILE A 30 10.935 -34.644 4.873 1.00 0.00 H new ATOM 0 HB ILE A 30 11.427 -32.280 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.349 -34.455 7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.999 -34.729 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.054 -31.702 6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.975 -31.549 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.918 -32.957 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.598 -33.998 9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.855 -32.787 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.180 -32.509 8.511 1.00 0.00 H new ATOM 397 N PHE A 31 12.588 -31.843 4.201 1.00 0.00 N ATOM 398 CA PHE A 31 12.908 -30.896 3.139 1.00 0.00 C ATOM 399 C PHE A 31 14.002 -31.447 2.229 1.00 0.00 C ATOM 400 O PHE A 31 14.414 -30.796 1.270 1.00 0.00 O ATOM 401 CB PHE A 31 13.352 -29.558 3.736 1.00 0.00 C ATOM 402 CG PHE A 31 12.253 -28.829 4.456 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.750 -29.314 5.652 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.724 -27.659 3.935 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.740 -28.645 6.317 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.714 -26.986 4.596 1.00 0.00 C ATOM 407 CZ PHE A 31 10.220 -27.480 5.788 1.00 0.00 C ATOM 0 H PHE A 31 13.034 -31.640 5.095 1.00 0.00 H new ATOM 0 HA PHE A 31 12.009 -30.740 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.175 -29.733 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.737 -28.923 2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.152 -30.225 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.105 -27.269 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.358 -29.033 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.311 -26.074 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.429 -26.956 6.305 1.00 0.00 H new ATOM 417 N GLY A 32 14.468 -32.653 2.539 1.00 0.00 N ATOM 418 CA GLY A 32 15.510 -33.273 1.741 1.00 0.00 C ATOM 419 C GLY A 32 15.115 -33.420 0.285 1.00 0.00 C ATOM 420 O GLY A 32 15.745 -32.859 -0.611 1.00 0.00 O ATOM 0 H GLY A 32 14.143 -33.212 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.419 -32.676 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.742 -34.255 2.152 1.00 0.00 H new ATOM 424 N PRO A 33 14.048 -34.193 0.032 1.00 0.00 N ATOM 425 CA PRO A 33 13.547 -34.431 -1.324 1.00 0.00 C ATOM 426 C PRO A 33 12.912 -33.187 -1.935 1.00 0.00 C ATOM 427 O PRO A 33 11.727 -33.181 -2.268 1.00 0.00 O ATOM 428 CB PRO A 33 12.494 -35.525 -1.127 1.00 0.00 C ATOM 429 CG PRO A 33 12.046 -35.368 0.285 1.00 0.00 C ATOM 430 CD PRO A 33 13.249 -34.893 1.052 1.00 0.00 C ATOM 0 HA PRO A 33 14.347 -34.708 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.663 -35.405 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.914 -36.515 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.229 -34.650 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.677 -36.313 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.968 -34.228 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.799 -35.725 1.493 1.00 0.00 H new ATOM 438 N PHE A 34 13.709 -32.133 -2.081 1.00 0.00 N ATOM 439 CA PHE A 34 13.225 -30.881 -2.652 1.00 0.00 C ATOM 440 C PHE A 34 14.336 -30.165 -3.413 1.00 0.00 C ATOM 441 O PHE A 34 14.116 -29.634 -4.501 1.00 0.00 O ATOM 442 CB PHE A 34 12.678 -29.972 -1.550 1.00 0.00 C ATOM 443 CG PHE A 34 11.265 -30.292 -1.153 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.317 -30.608 -2.114 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.885 -30.279 0.179 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.016 -30.902 -1.752 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.586 -30.574 0.547 1.00 0.00 C ATOM 448 CZ PHE A 34 8.650 -30.887 -0.420 1.00 0.00 C ATOM 0 H PHE A 34 14.693 -32.121 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 34 12.423 -31.116 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.320 -30.052 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.726 -28.937 -1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.598 -30.625 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.613 -30.035 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.286 -31.143 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.303 -30.560 1.589 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.635 -31.119 -0.135 1.00 0.00 H new ATOM 458 N GLY A 35 15.532 -30.154 -2.832 1.00 0.00 N ATOM 459 CA GLY A 35 16.660 -29.500 -3.469 1.00 0.00 C ATOM 460 C GLY A 35 17.858 -29.383 -2.548 1.00 0.00 C ATOM 461 O GLY A 35 17.814 -29.780 -1.383 1.00 0.00 O ATOM 0 H GLY A 35 15.740 -30.586 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.944 -30.059 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.361 -28.505 -3.799 1.00 0.00 H new ATOM 465 N PRO A 36 18.961 -28.828 -3.072 1.00 0.00 N ATOM 466 CA PRO A 36 20.197 -28.648 -2.306 1.00 0.00 C ATOM 467 C PRO A 36 20.058 -27.584 -1.222 1.00 0.00 C ATOM 468 O PRO A 36 20.391 -26.419 -1.437 1.00 0.00 O ATOM 469 CB PRO A 36 21.209 -28.204 -3.365 1.00 0.00 C ATOM 470 CG PRO A 36 20.386 -27.578 -4.437 1.00 0.00 C ATOM 471 CD PRO A 36 19.085 -28.333 -4.453 1.00 0.00 C ATOM 0 HA PRO A 36 20.484 -29.556 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.928 -27.496 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.779 -29.051 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.221 -26.520 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.887 -27.643 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.249 -27.688 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.104 -29.151 -5.173 1.00 0.00 H new ATOM 479 N MET A 37 19.566 -27.994 -0.057 1.00 0.00 N ATOM 480 CA MET A 37 19.385 -27.075 1.060 1.00 0.00 C ATOM 481 C MET A 37 20.720 -26.481 1.497 1.00 0.00 C ATOM 482 O MET A 37 21.596 -27.191 1.991 1.00 0.00 O ATOM 483 CB MET A 37 18.724 -27.794 2.238 1.00 0.00 C ATOM 484 CG MET A 37 19.327 -29.158 2.532 1.00 0.00 C ATOM 485 SD MET A 37 19.626 -29.420 4.291 1.00 0.00 S ATOM 486 CE MET A 37 17.966 -29.764 4.870 1.00 0.00 C ATOM 0 H MET A 37 19.286 -28.955 0.137 1.00 0.00 H new ATOM 0 HA MET A 37 18.737 -26.263 0.729 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.807 -27.169 3.127 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.661 -27.913 2.030 1.00 0.00 H new ATOM 0 HG2 MET A 37 18.658 -29.934 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.266 -29.261 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.962 -29.807 5.959 1.00 0.00 H new ATOM 0 HE2 MET A 37 17.293 -28.974 4.536 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.631 -30.720 4.468 1.00 0.00 H new ATOM 496 N LYS A 38 20.870 -25.173 1.313 1.00 0.00 N ATOM 497 CA LYS A 38 22.097 -24.482 1.689 1.00 0.00 C ATOM 498 C LYS A 38 22.315 -24.541 3.197 1.00 0.00 C ATOM 499 O LYS A 38 23.433 -24.759 3.664 1.00 0.00 O ATOM 500 CB LYS A 38 22.048 -23.024 1.226 1.00 0.00 C ATOM 501 CG LYS A 38 23.368 -22.290 1.388 1.00 0.00 C ATOM 502 CD LYS A 38 24.404 -22.779 0.390 1.00 0.00 C ATOM 503 CE LYS A 38 25.257 -23.896 0.974 1.00 0.00 C ATOM 504 NZ LYS A 38 26.579 -23.397 1.443 1.00 0.00 N ATOM 0 H LYS A 38 20.155 -24.570 0.905 1.00 0.00 H new ATOM 0 HA LYS A 38 22.932 -24.984 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.752 -22.994 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.278 -22.498 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.209 -21.220 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.742 -22.432 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 38 23.904 -23.135 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.044 -21.949 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.728 -24.360 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.407 -24.670 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.130 -24.188 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.095 -22.977 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.437 -22.677 2.180 1.00 0.00 H new ATOM 518 N GLU A 39 21.239 -24.347 3.954 1.00 0.00 N ATOM 519 CA GLU A 39 21.315 -24.379 5.410 1.00 0.00 C ATOM 520 C GLU A 39 19.946 -24.672 6.019 1.00 0.00 C ATOM 521 O GLU A 39 18.924 -24.607 5.337 1.00 0.00 O ATOM 522 CB GLU A 39 21.848 -23.048 5.944 1.00 0.00 C ATOM 523 CG GLU A 39 22.679 -23.189 7.208 1.00 0.00 C ATOM 524 CD GLU A 39 23.740 -22.112 7.333 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.373 -21.783 6.308 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.937 -21.599 8.454 1.00 0.00 O ATOM 0 H GLU A 39 20.306 -24.166 3.584 1.00 0.00 H new ATOM 0 HA GLU A 39 22.000 -25.177 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.453 -22.573 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 39 21.007 -22.383 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.022 -23.149 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.158 -24.168 7.216 1.00 0.00 H new ATOM 533 N VAL A 40 19.936 -24.996 7.308 1.00 0.00 N ATOM 534 CA VAL A 40 18.695 -25.299 8.010 1.00 0.00 C ATOM 535 C VAL A 40 18.808 -24.967 9.494 1.00 0.00 C ATOM 536 O VAL A 40 19.752 -25.383 10.166 1.00 0.00 O ATOM 537 CB VAL A 40 18.311 -26.783 7.856 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.681 -27.033 6.495 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.529 -27.672 8.061 1.00 0.00 C ATOM 0 H VAL A 40 20.774 -25.055 7.887 1.00 0.00 H new ATOM 0 HA VAL A 40 17.918 -24.681 7.560 1.00 0.00 H new ATOM 0 HB VAL A 40 17.575 -27.032 8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.416 -28.087 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.783 -26.423 6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.391 -26.769 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.240 -28.717 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.289 -27.424 7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 40 19.932 -27.512 9.061 1.00 0.00 H new ATOM 549 N LYS A 41 17.838 -24.213 10.000 1.00 0.00 N ATOM 550 CA LYS A 41 17.825 -23.824 11.406 1.00 0.00 C ATOM 551 C LYS A 41 16.635 -24.443 12.131 1.00 0.00 C ATOM 552 O LYS A 41 15.507 -24.405 11.637 1.00 0.00 O ATOM 553 CB LYS A 41 17.778 -22.300 11.534 1.00 0.00 C ATOM 554 CG LYS A 41 18.598 -21.575 10.481 1.00 0.00 C ATOM 555 CD LYS A 41 20.062 -21.978 10.539 1.00 0.00 C ATOM 556 CE LYS A 41 20.676 -21.653 11.892 1.00 0.00 C ATOM 557 NZ LYS A 41 21.881 -20.787 11.761 1.00 0.00 N ATOM 0 H LYS A 41 17.050 -23.859 9.457 1.00 0.00 H new ATOM 0 HA LYS A 41 18.741 -24.193 11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.741 -21.970 11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.139 -22.016 12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.198 -21.796 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.510 -20.498 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.154 -23.046 10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.614 -21.461 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.935 -21.153 12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.948 -22.579 12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.270 -20.588 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.598 -21.274 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.617 -19.893 11.300 1.00 0.00 H new ATOM 571 N ILE A 42 16.893 -25.011 13.304 1.00 0.00 N ATOM 572 CA ILE A 42 15.841 -25.635 14.098 1.00 0.00 C ATOM 573 C ILE A 42 15.925 -25.204 15.558 1.00 0.00 C ATOM 574 O ILE A 42 16.840 -25.598 16.282 1.00 0.00 O ATOM 575 CB ILE A 42 15.917 -27.172 14.023 1.00 0.00 C ATOM 576 CG1 ILE A 42 16.500 -27.611 12.678 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.539 -27.781 14.234 1.00 0.00 C ATOM 578 CD1 ILE A 42 18.002 -27.785 12.698 1.00 0.00 C ATOM 0 H ILE A 42 17.821 -25.052 13.726 1.00 0.00 H new ATOM 0 HA ILE A 42 14.891 -25.305 13.679 1.00 0.00 H new ATOM 0 HB ILE A 42 16.575 -27.528 14.816 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.037 -28.552 12.381 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.238 -26.873 11.920 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.609 -28.867 14.178 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.159 -27.492 15.214 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.860 -27.421 13.461 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.345 -28.097 11.712 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.474 -26.839 12.964 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.271 -28.544 13.432 1.00 0.00 H new ATOM 590 N LEU A 43 14.963 -24.393 15.985 1.00 0.00 N ATOM 591 CA LEU A 43 14.925 -23.909 17.361 1.00 0.00 C ATOM 592 C LEU A 43 13.594 -24.250 18.022 1.00 0.00 C ATOM 593 O LEU A 43 12.554 -24.285 17.365 1.00 0.00 O ATOM 594 CB LEU A 43 15.153 -22.397 17.396 1.00 0.00 C ATOM 595 CG LEU A 43 16.317 -21.873 16.555 1.00 0.00 C ATOM 596 CD1 LEU A 43 16.050 -20.447 16.102 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.619 -21.950 17.340 1.00 0.00 C ATOM 0 H LEU A 43 14.199 -24.057 15.399 1.00 0.00 H new ATOM 0 HA LEU A 43 15.722 -24.404 17.917 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.240 -21.904 17.062 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.316 -22.098 18.432 1.00 0.00 H new ATOM 0 HG LEU A 43 16.411 -22.501 15.669 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.890 -20.092 15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.141 -20.420 15.502 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.928 -19.805 16.974 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.437 -21.573 16.726 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.535 -21.346 18.244 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.818 -22.986 17.613 1.00 0.00 H new ATOM 609 N ASN A 44 13.634 -24.499 19.327 1.00 0.00 N ATOM 610 CA ASN A 44 12.430 -24.835 20.078 1.00 0.00 C ATOM 611 C ASN A 44 11.424 -23.689 20.036 1.00 0.00 C ATOM 612 O ASN A 44 11.489 -22.762 20.842 1.00 0.00 O ATOM 613 CB ASN A 44 12.785 -25.165 21.530 1.00 0.00 C ATOM 614 CG ASN A 44 11.899 -26.250 22.109 1.00 0.00 C ATOM 615 OD1 ASN A 44 10.965 -25.970 22.860 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.189 -27.499 21.762 1.00 0.00 N ATOM 0 H ASN A 44 14.487 -24.474 19.886 1.00 0.00 H new ATOM 0 HA ASN A 44 11.975 -25.710 19.614 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.826 -25.483 21.583 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.695 -24.264 22.137 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.628 -28.271 22.121 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.973 -27.686 21.136 1.00 0.00 H new ATOM 623 N GLY A 45 10.493 -23.760 19.089 1.00 0.00 N ATOM 624 CA GLY A 45 9.486 -22.723 18.960 1.00 0.00 C ATOM 625 C GLY A 45 9.278 -22.293 17.521 1.00 0.00 C ATOM 626 O GLY A 45 8.231 -21.748 17.174 1.00 0.00 O ATOM 0 H GLY A 45 10.418 -24.517 18.409 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.542 -23.085 19.368 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.780 -21.859 19.555 1.00 0.00 H new ATOM 630 N PHE A 46 10.279 -22.538 16.681 1.00 0.00 N ATOM 631 CA PHE A 46 10.202 -22.171 15.272 1.00 0.00 C ATOM 632 C PHE A 46 11.318 -22.839 14.474 1.00 0.00 C ATOM 633 O PHE A 46 12.403 -23.092 14.996 1.00 0.00 O ATOM 634 CB PHE A 46 10.286 -20.651 15.114 1.00 0.00 C ATOM 635 CG PHE A 46 10.936 -19.962 16.280 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.250 -20.242 16.622 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.235 -19.035 17.033 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.852 -19.610 17.694 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.832 -18.399 18.106 1.00 0.00 C ATOM 640 CZ PHE A 46 12.141 -18.688 18.437 1.00 0.00 C ATOM 0 H PHE A 46 11.153 -22.989 16.952 1.00 0.00 H new ATOM 0 HA PHE A 46 9.244 -22.518 14.884 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.844 -20.418 14.207 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.281 -20.251 14.980 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.810 -20.962 16.044 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.210 -18.806 16.779 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.876 -19.837 17.950 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.275 -17.677 18.685 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.608 -18.194 19.276 1.00 0.00 H new ATOM 650 N ALA A 47 11.041 -23.122 13.205 1.00 0.00 N ATOM 651 CA ALA A 47 12.021 -23.759 12.334 1.00 0.00 C ATOM 652 C ALA A 47 12.264 -22.926 11.080 1.00 0.00 C ATOM 653 O ALA A 47 11.411 -22.138 10.671 1.00 0.00 O ATOM 654 CB ALA A 47 11.562 -25.160 11.959 1.00 0.00 C ATOM 0 H ALA A 47 10.147 -22.920 12.758 1.00 0.00 H new ATOM 0 HA ALA A 47 12.962 -23.831 12.879 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.303 -25.624 11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.446 -25.759 12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.607 -25.102 11.437 1.00 0.00 H new ATOM 660 N PHE A 48 13.433 -23.106 10.473 1.00 0.00 N ATOM 661 CA PHE A 48 13.788 -22.369 9.266 1.00 0.00 C ATOM 662 C PHE A 48 14.628 -23.233 8.329 1.00 0.00 C ATOM 663 O PHE A 48 15.422 -24.061 8.775 1.00 0.00 O ATOM 664 CB PHE A 48 14.555 -21.096 9.627 1.00 0.00 C ATOM 665 CG PHE A 48 13.889 -20.278 10.696 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.820 -19.451 10.389 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.331 -20.335 12.008 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.204 -18.697 11.371 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.719 -19.584 12.994 1.00 0.00 C ATOM 670 CZ PHE A 48 12.655 -18.763 12.675 1.00 0.00 C ATOM 0 H PHE A 48 14.150 -23.755 10.797 1.00 0.00 H new ATOM 0 HA PHE A 48 12.866 -22.096 8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.557 -21.367 9.959 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.671 -20.485 8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.464 -19.395 9.371 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.164 -20.974 12.263 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.371 -18.057 11.119 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.073 -19.639 14.013 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.177 -18.174 13.443 1.00 0.00 H new ATOM 680 N VAL A 49 14.445 -23.035 7.028 1.00 0.00 N ATOM 681 CA VAL A 49 15.185 -23.794 6.027 1.00 0.00 C ATOM 682 C VAL A 49 15.542 -22.923 4.829 1.00 0.00 C ATOM 683 O VAL A 49 14.662 -22.403 4.143 1.00 0.00 O ATOM 684 CB VAL A 49 14.380 -25.014 5.540 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.019 -24.581 5.017 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.154 -25.770 4.471 1.00 0.00 C ATOM 0 H VAL A 49 13.790 -22.355 6.642 1.00 0.00 H new ATOM 0 HA VAL A 49 16.101 -24.140 6.506 1.00 0.00 H new ATOM 0 HB VAL A 49 14.222 -25.684 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.465 -25.456 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.464 -24.086 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.152 -23.890 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.571 -26.629 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.344 -25.110 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.103 -26.114 4.883 1.00 0.00 H new ATOM 696 N GLU A 50 16.839 -22.767 4.582 1.00 0.00 N ATOM 697 CA GLU A 50 17.312 -21.958 3.466 1.00 0.00 C ATOM 698 C GLU A 50 17.839 -22.840 2.338 1.00 0.00 C ATOM 699 O GLU A 50 18.882 -23.481 2.471 1.00 0.00 O ATOM 700 CB GLU A 50 18.410 -20.998 3.931 1.00 0.00 C ATOM 701 CG GLU A 50 19.020 -20.180 2.806 1.00 0.00 C ATOM 702 CD GLU A 50 19.711 -18.926 3.306 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.028 -17.891 3.454 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.935 -18.979 3.548 1.00 0.00 O ATOM 0 H GLU A 50 17.580 -23.190 5.140 1.00 0.00 H new ATOM 0 HA GLU A 50 16.469 -21.380 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.996 -20.321 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.198 -21.570 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.738 -20.794 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.239 -19.902 2.098 1.00 0.00 H new ATOM 711 N PHE A 51 17.109 -22.870 1.228 1.00 0.00 N ATOM 712 CA PHE A 51 17.500 -23.675 0.077 1.00 0.00 C ATOM 713 C PHE A 51 18.490 -22.919 -0.805 1.00 0.00 C ATOM 714 O PHE A 51 18.438 -21.694 -0.904 1.00 0.00 O ATOM 715 CB PHE A 51 16.267 -24.067 -0.741 1.00 0.00 C ATOM 716 CG PHE A 51 15.611 -25.332 -0.268 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.239 -26.556 -0.430 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.366 -25.297 0.339 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.637 -27.722 0.004 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.759 -26.460 0.775 1.00 0.00 C ATOM 721 CZ PHE A 51 14.396 -27.674 0.608 1.00 0.00 C ATOM 0 H PHE A 51 16.243 -22.346 1.101 1.00 0.00 H new ATOM 0 HA PHE A 51 17.985 -24.579 0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.542 -23.254 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.556 -24.186 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.210 -26.600 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.864 -24.350 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.137 -28.670 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.788 -26.419 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.925 -28.584 0.949 1.00 0.00 H new ATOM 731 N GLU A 52 19.391 -23.660 -1.442 1.00 0.00 N ATOM 732 CA GLU A 52 20.394 -23.059 -2.313 1.00 0.00 C ATOM 733 C GLU A 52 19.788 -22.685 -3.663 1.00 0.00 C ATOM 734 O GLU A 52 20.479 -22.176 -4.545 1.00 0.00 O ATOM 735 CB GLU A 52 21.566 -24.021 -2.518 1.00 0.00 C ATOM 736 CG GLU A 52 22.710 -23.426 -3.322 1.00 0.00 C ATOM 737 CD GLU A 52 22.905 -21.946 -3.051 1.00 0.00 C ATOM 738 OE1 GLU A 52 22.984 -21.567 -1.863 1.00 0.00 O ATOM 739 OE2 GLU A 52 22.978 -21.169 -4.025 1.00 0.00 O ATOM 0 H GLU A 52 19.447 -24.676 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 52 20.758 -22.151 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.942 -24.334 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.205 -24.917 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.631 -23.959 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.519 -23.575 -4.385 1.00 0.00 H new ATOM 746 N GLU A 53 18.493 -22.941 -3.815 1.00 0.00 N ATOM 747 CA GLU A 53 17.794 -22.632 -5.057 1.00 0.00 C ATOM 748 C GLU A 53 16.390 -22.105 -4.775 1.00 0.00 C ATOM 749 O GLU A 53 15.591 -22.762 -4.109 1.00 0.00 O ATOM 750 CB GLU A 53 17.715 -23.875 -5.946 1.00 0.00 C ATOM 751 CG GLU A 53 18.921 -24.054 -6.852 1.00 0.00 C ATOM 752 CD GLU A 53 19.120 -22.884 -7.796 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.122 -22.426 -8.391 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.273 -22.427 -7.942 1.00 0.00 O ATOM 0 H GLU A 53 17.907 -23.361 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 53 18.356 -21.857 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.612 -24.757 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.816 -23.816 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.815 -24.179 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.802 -24.969 -7.433 1.00 0.00 H new ATOM 761 N ALA A 54 16.098 -20.914 -5.287 1.00 0.00 N ATOM 762 CA ALA A 54 14.791 -20.298 -5.092 1.00 0.00 C ATOM 763 C ALA A 54 13.670 -21.260 -5.468 1.00 0.00 C ATOM 764 O ALA A 54 12.603 -21.254 -4.854 1.00 0.00 O ATOM 765 CB ALA A 54 14.685 -19.016 -5.905 1.00 0.00 C ATOM 0 H ALA A 54 16.749 -20.356 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 54 14.685 -20.054 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.704 -18.567 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.459 -18.318 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.816 -19.244 -6.963 1.00 0.00 H new ATOM 771 N GLU A 55 13.918 -22.084 -6.481 1.00 0.00 N ATOM 772 CA GLU A 55 12.927 -23.050 -6.939 1.00 0.00 C ATOM 773 C GLU A 55 12.595 -24.053 -5.837 1.00 0.00 C ATOM 774 O GLU A 55 11.428 -24.258 -5.501 1.00 0.00 O ATOM 775 CB GLU A 55 13.436 -23.788 -8.179 1.00 0.00 C ATOM 776 CG GLU A 55 12.370 -24.617 -8.875 1.00 0.00 C ATOM 777 CD GLU A 55 12.755 -24.991 -10.293 1.00 0.00 C ATOM 778 OE1 GLU A 55 12.735 -24.100 -11.168 1.00 0.00 O ATOM 779 OE2 GLU A 55 13.077 -26.174 -10.528 1.00 0.00 O ATOM 0 H GLU A 55 14.796 -22.102 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 55 12.019 -22.505 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.837 -23.061 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.260 -24.440 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.189 -25.525 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.434 -24.058 -8.892 1.00 0.00 H new ATOM 786 N SER A 56 13.629 -24.675 -5.280 1.00 0.00 N ATOM 787 CA SER A 56 13.448 -25.659 -4.220 1.00 0.00 C ATOM 788 C SER A 56 12.686 -25.057 -3.043 1.00 0.00 C ATOM 789 O SER A 56 11.821 -25.703 -2.453 1.00 0.00 O ATOM 790 CB SER A 56 14.804 -26.186 -3.747 1.00 0.00 C ATOM 791 OG SER A 56 14.645 -27.287 -2.869 1.00 0.00 O ATOM 0 H SER A 56 14.601 -24.515 -5.545 1.00 0.00 H new ATOM 0 HA SER A 56 12.865 -26.487 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.401 -26.487 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.351 -25.390 -3.242 1.00 0.00 H new ATOM 0 HG SER A 56 14.887 -27.017 -1.959 1.00 0.00 H new ATOM 797 N ALA A 57 13.014 -23.813 -2.709 1.00 0.00 N ATOM 798 CA ALA A 57 12.360 -23.121 -1.605 1.00 0.00 C ATOM 799 C ALA A 57 10.905 -22.809 -1.937 1.00 0.00 C ATOM 800 O ALA A 57 9.997 -23.162 -1.185 1.00 0.00 O ATOM 801 CB ALA A 57 13.112 -21.843 -1.264 1.00 0.00 C ATOM 0 H ALA A 57 13.728 -23.264 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 57 12.373 -23.780 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.613 -21.336 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.134 -22.088 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.129 -21.187 -2.135 1.00 0.00 H new ATOM 807 N ALA A 58 10.691 -22.145 -3.068 1.00 0.00 N ATOM 808 CA ALA A 58 9.346 -21.787 -3.500 1.00 0.00 C ATOM 809 C ALA A 58 8.441 -23.013 -3.552 1.00 0.00 C ATOM 810 O ALA A 58 7.241 -22.924 -3.291 1.00 0.00 O ATOM 811 CB ALA A 58 9.392 -21.105 -4.860 1.00 0.00 C ATOM 0 H ALA A 58 11.432 -21.844 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 58 8.930 -21.092 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.380 -20.843 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.997 -20.200 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.832 -21.782 -5.592 1.00 0.00 H new ATOM 817 N LYS A 59 9.023 -24.158 -3.891 1.00 0.00 N ATOM 818 CA LYS A 59 8.270 -25.404 -3.977 1.00 0.00 C ATOM 819 C LYS A 59 8.009 -25.979 -2.589 1.00 0.00 C ATOM 820 O LYS A 59 6.866 -26.256 -2.226 1.00 0.00 O ATOM 821 CB LYS A 59 9.028 -26.424 -4.830 1.00 0.00 C ATOM 822 CG LYS A 59 8.951 -26.147 -6.321 1.00 0.00 C ATOM 823 CD LYS A 59 7.599 -26.542 -6.893 1.00 0.00 C ATOM 824 CE LYS A 59 7.428 -26.038 -8.318 1.00 0.00 C ATOM 825 NZ LYS A 59 7.308 -24.555 -8.371 1.00 0.00 N ATOM 0 H LYS A 59 10.015 -24.249 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 59 7.311 -25.188 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.074 -26.435 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.628 -27.419 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.129 -25.087 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.739 -26.697 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.498 -27.627 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.805 -26.138 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.280 -26.355 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.540 -26.490 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.944 -24.269 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.653 -24.233 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.243 -24.125 -8.218 1.00 0.00 H new ATOM 839 N ALA A 60 9.076 -26.154 -1.816 1.00 0.00 N ATOM 840 CA ALA A 60 8.962 -26.692 -0.466 1.00 0.00 C ATOM 841 C ALA A 60 7.922 -25.926 0.344 1.00 0.00 C ATOM 842 O ALA A 60 7.248 -26.495 1.203 1.00 0.00 O ATOM 843 CB ALA A 60 10.312 -26.654 0.233 1.00 0.00 C ATOM 0 H ALA A 60 10.029 -25.931 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 60 8.634 -27.729 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.212 -27.059 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.030 -27.252 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.664 -25.624 0.289 1.00 0.00 H new ATOM 849 N ILE A 61 7.798 -24.632 0.066 1.00 0.00 N ATOM 850 CA ILE A 61 6.840 -23.788 0.770 1.00 0.00 C ATOM 851 C ILE A 61 5.407 -24.217 0.472 1.00 0.00 C ATOM 852 O ILE A 61 4.553 -24.220 1.358 1.00 0.00 O ATOM 853 CB ILE A 61 7.010 -22.306 0.390 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.365 -21.785 0.875 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.878 -21.476 0.975 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.892 -20.624 0.061 1.00 0.00 C ATOM 0 H ILE A 61 8.349 -24.146 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 61 7.038 -23.906 1.835 1.00 0.00 H new ATOM 0 HB ILE A 61 6.975 -22.218 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.275 -21.477 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.090 -22.598 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.012 -20.431 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.925 -21.835 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.884 -21.567 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.855 -20.307 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.014 -20.933 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.187 -19.794 0.112 1.00 0.00 H new ATOM 868 N GLU A 62 5.152 -24.579 -0.782 1.00 0.00 N ATOM 869 CA GLU A 62 3.823 -25.011 -1.196 1.00 0.00 C ATOM 870 C GLU A 62 3.666 -26.520 -1.036 1.00 0.00 C ATOM 871 O GLU A 62 2.563 -27.055 -1.146 1.00 0.00 O ATOM 872 CB GLU A 62 3.563 -24.612 -2.650 1.00 0.00 C ATOM 873 CG GLU A 62 2.845 -23.280 -2.797 1.00 0.00 C ATOM 874 CD GLU A 62 2.017 -23.200 -4.065 1.00 0.00 C ATOM 875 OE1 GLU A 62 0.941 -23.831 -4.112 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.446 -22.506 -5.010 1.00 0.00 O ATOM 0 H GLU A 62 5.848 -24.581 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 62 3.093 -24.517 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.514 -24.563 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.970 -25.390 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.197 -23.123 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.579 -22.474 -2.795 1.00 0.00 H new ATOM 883 N GLU A 63 4.778 -27.200 -0.775 1.00 0.00 N ATOM 884 CA GLU A 63 4.764 -28.648 -0.602 1.00 0.00 C ATOM 885 C GLU A 63 4.632 -29.018 0.873 1.00 0.00 C ATOM 886 O GLU A 63 3.655 -29.644 1.283 1.00 0.00 O ATOM 887 CB GLU A 63 6.038 -29.266 -1.182 1.00 0.00 C ATOM 888 CG GLU A 63 6.198 -29.041 -2.676 1.00 0.00 C ATOM 889 CD GLU A 63 5.738 -30.230 -3.498 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.734 -30.864 -3.112 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.383 -30.526 -4.525 1.00 0.00 O ATOM 0 H GLU A 63 5.699 -26.772 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 63 3.901 -29.044 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.902 -28.848 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.035 -30.338 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.629 -28.159 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.245 -28.834 -2.898 1.00 0.00 H new ATOM 898 N VAL A 64 5.625 -28.626 1.666 1.00 0.00 N ATOM 899 CA VAL A 64 5.621 -28.915 3.095 1.00 0.00 C ATOM 900 C VAL A 64 4.376 -28.347 3.767 1.00 0.00 C ATOM 901 O VAL A 64 3.777 -28.987 4.632 1.00 0.00 O ATOM 902 CB VAL A 64 6.871 -28.341 3.787 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.968 -28.845 5.220 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.125 -28.698 3.003 1.00 0.00 C ATOM 0 H VAL A 64 6.442 -28.108 1.343 1.00 0.00 H new ATOM 0 HA VAL A 64 5.623 -30.000 3.198 1.00 0.00 H new ATOM 0 HB VAL A 64 6.783 -27.255 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.858 -28.429 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.083 -28.535 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.033 -29.933 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.999 -28.284 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.220 -29.782 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.056 -28.284 1.997 1.00 0.00 H new ATOM 914 N HIS A 65 3.990 -27.140 3.364 1.00 0.00 N ATOM 915 CA HIS A 65 2.815 -26.485 3.926 1.00 0.00 C ATOM 916 C HIS A 65 1.575 -27.360 3.763 1.00 0.00 C ATOM 917 O HIS A 65 1.190 -27.706 2.647 1.00 0.00 O ATOM 918 CB HIS A 65 2.589 -25.131 3.254 1.00 0.00 C ATOM 919 CG HIS A 65 1.333 -24.445 3.695 1.00 0.00 C ATOM 920 ND1 HIS A 65 1.290 -23.560 4.752 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.069 -24.518 3.215 1.00 0.00 C ATOM 922 CE1 HIS A 65 0.053 -23.119 4.903 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.707 -23.684 3.983 1.00 0.00 N ATOM 0 H HIS A 65 4.475 -26.596 2.650 1.00 0.00 H new ATOM 0 HA HIS A 65 2.991 -26.329 4.990 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.440 -24.483 3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.556 -25.272 2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.267 -25.120 2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.280 -22.416 5.652 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.708 -23.527 3.862 1.00 0.00 H new ATOM 931 N GLY A 66 0.955 -27.714 4.885 1.00 0.00 N ATOM 932 CA GLY A 66 -0.234 -28.546 4.844 1.00 0.00 C ATOM 933 C GLY A 66 0.088 -30.023 4.968 1.00 0.00 C ATOM 934 O GLY A 66 -0.792 -30.872 4.820 1.00 0.00 O ATOM 0 H GLY A 66 1.254 -27.440 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.906 -28.255 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.765 -28.370 3.908 1.00 0.00 H new ATOM 938 N LYS A 67 1.351 -30.331 5.238 1.00 0.00 N ATOM 939 CA LYS A 67 1.788 -31.715 5.381 1.00 0.00 C ATOM 940 C LYS A 67 1.427 -32.259 6.760 1.00 0.00 C ATOM 941 O LYS A 67 0.784 -31.578 7.557 1.00 0.00 O ATOM 942 CB LYS A 67 3.299 -31.820 5.159 1.00 0.00 C ATOM 943 CG LYS A 67 3.705 -31.744 3.698 1.00 0.00 C ATOM 944 CD LYS A 67 3.192 -32.940 2.913 1.00 0.00 C ATOM 945 CE LYS A 67 4.310 -33.922 2.599 1.00 0.00 C ATOM 946 NZ LYS A 67 3.821 -35.082 1.803 1.00 0.00 N ATOM 0 H LYS A 67 2.091 -29.640 5.362 1.00 0.00 H new ATOM 0 HA LYS A 67 1.274 -32.312 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.795 -31.019 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.655 -32.761 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.316 -30.825 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.791 -31.698 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.413 -33.445 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.735 -32.598 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.099 -33.410 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.751 -34.280 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.612 -35.728 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.086 -35.586 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.423 -34.743 0.904 1.00 0.00 H new ATOM 960 N SER A 68 1.847 -33.490 7.033 1.00 0.00 N ATOM 961 CA SER A 68 1.565 -34.127 8.314 1.00 0.00 C ATOM 962 C SER A 68 2.859 -34.462 9.050 1.00 0.00 C ATOM 963 O SER A 68 3.832 -34.912 8.445 1.00 0.00 O ATOM 964 CB SER A 68 0.740 -35.398 8.106 1.00 0.00 C ATOM 965 OG SER A 68 1.377 -36.276 7.195 1.00 0.00 O ATOM 0 H SER A 68 2.384 -34.066 6.384 1.00 0.00 H new ATOM 0 HA SER A 68 0.992 -33.426 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.596 -35.902 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.250 -35.136 7.732 1.00 0.00 H new ATOM 0 HG SER A 68 0.831 -37.081 7.081 1.00 0.00 H new ATOM 971 N PHE A 69 2.862 -34.239 10.360 1.00 0.00 N ATOM 972 CA PHE A 69 4.036 -34.516 11.180 1.00 0.00 C ATOM 973 C PHE A 69 3.714 -34.355 12.663 1.00 0.00 C ATOM 974 O PHE A 69 3.054 -33.397 13.065 1.00 0.00 O ATOM 975 CB PHE A 69 5.186 -33.586 10.792 1.00 0.00 C ATOM 976 CG PHE A 69 6.523 -34.038 11.307 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.925 -33.728 12.596 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.377 -34.774 10.501 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.155 -34.143 13.071 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.608 -35.192 10.972 1.00 0.00 C ATOM 981 CZ PHE A 69 8.997 -34.876 12.259 1.00 0.00 C ATOM 0 H PHE A 69 2.065 -33.867 10.877 1.00 0.00 H new ATOM 0 HA PHE A 69 4.337 -35.548 11.002 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.231 -33.511 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.978 -32.586 11.173 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.270 -33.156 13.237 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.078 -35.024 9.494 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.457 -33.894 14.077 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.265 -35.765 10.334 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.958 -35.202 12.629 1.00 0.00 H new ATOM 991 N ALA A 70 4.184 -35.299 13.471 1.00 0.00 N ATOM 992 CA ALA A 70 3.948 -35.261 14.909 1.00 0.00 C ATOM 993 C ALA A 70 2.456 -35.289 15.222 1.00 0.00 C ATOM 994 O ALA A 70 2.004 -34.679 16.190 1.00 0.00 O ATOM 995 CB ALA A 70 4.594 -34.025 15.518 1.00 0.00 C ATOM 0 H ALA A 70 4.731 -36.100 13.154 1.00 0.00 H new ATOM 0 HA ALA A 70 4.401 -36.149 15.350 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.410 -34.010 16.592 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.668 -34.048 15.335 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.168 -33.130 15.064 1.00 0.00 H new ATOM 1001 N ASN A 71 1.696 -35.999 14.395 1.00 0.00 N ATOM 1002 CA ASN A 71 0.254 -36.104 14.583 1.00 0.00 C ATOM 1003 C ASN A 71 -0.405 -34.730 14.520 1.00 0.00 C ATOM 1004 O ASN A 71 -1.336 -34.443 15.271 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.059 -36.772 15.923 1.00 0.00 C ATOM 1006 CG ASN A 71 0.021 -38.284 15.849 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.865 -38.938 15.298 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.087 -38.848 16.406 1.00 0.00 N ATOM 0 H ASN A 71 2.055 -36.510 13.588 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.149 -36.717 13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.640 -36.411 16.678 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.058 -36.479 16.247 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.196 -39.862 16.388 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.797 -38.267 16.852 1.00 0.00 H new ATOM 1015 N GLN A 72 0.085 -33.885 13.618 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.456 -32.541 13.458 1.00 0.00 C ATOM 1017 C GLN A 72 -0.088 -31.965 12.094 1.00 0.00 C ATOM 1018 O GLN A 72 0.940 -32.305 11.506 1.00 0.00 O ATOM 1019 CB GLN A 72 0.061 -31.624 14.568 1.00 0.00 C ATOM 1020 CG GLN A 72 1.370 -30.932 14.225 1.00 0.00 C ATOM 1021 CD GLN A 72 2.271 -30.757 15.432 1.00 0.00 C ATOM 1022 OE1 GLN A 72 2.549 -31.853 16.128 1.00 0.00 O flip ATOM 1023 NE2 GLN A 72 2.712 -29.648 15.736 1.00 0.00 N flip ATOM 0 H GLN A 72 0.855 -34.108 12.987 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.542 -32.604 13.525 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.694 -30.868 14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.196 -32.209 15.478 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.895 -31.511 13.465 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.157 -29.955 13.790 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.473 -28.832 15.173 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.317 -29.545 16.551 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.945 -31.072 11.577 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.730 -30.430 10.277 1.00 0.00 C ATOM 1034 C PRO A 73 0.433 -29.445 10.302 1.00 0.00 C ATOM 1035 O PRO A 73 0.444 -28.500 11.091 1.00 0.00 O ATOM 1036 CB PRO A 73 -2.048 -29.694 10.023 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.613 -29.449 11.380 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.189 -30.620 12.223 1.00 0.00 C ATOM 0 HA PRO A 73 -0.473 -31.153 9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.882 -28.759 9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.725 -30.293 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.239 -28.513 11.795 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.699 -29.369 11.342 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.021 -30.329 13.260 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.946 -31.404 12.231 1.00 0.00 H new ATOM 1046 N LEU A 74 1.412 -29.672 9.432 1.00 0.00 N ATOM 1047 CA LEU A 74 2.582 -28.803 9.354 1.00 0.00 C ATOM 1048 C LEU A 74 2.246 -27.501 8.633 1.00 0.00 C ATOM 1049 O LEU A 74 1.211 -27.394 7.976 1.00 0.00 O ATOM 1050 CB LEU A 74 3.725 -29.519 8.633 1.00 0.00 C ATOM 1051 CG LEU A 74 4.480 -30.569 9.448 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.610 -31.171 8.627 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.019 -29.959 10.734 1.00 0.00 C ATOM 0 H LEU A 74 1.419 -30.449 8.772 1.00 0.00 H new ATOM 0 HA LEU A 74 2.895 -28.563 10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.321 -30.001 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.440 -28.769 8.293 1.00 0.00 H new ATOM 0 HG LEU A 74 3.785 -31.366 9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.136 -31.916 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.200 -31.644 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.305 -30.385 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.554 -30.721 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.699 -29.142 10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.191 -29.577 11.330 1.00 0.00 H new ATOM 1065 N GLU A 75 3.129 -26.516 8.759 1.00 0.00 N ATOM 1066 CA GLU A 75 2.926 -25.222 8.118 1.00 0.00 C ATOM 1067 C GLU A 75 4.262 -24.557 7.801 1.00 0.00 C ATOM 1068 O GLU A 75 5.124 -24.422 8.671 1.00 0.00 O ATOM 1069 CB GLU A 75 2.089 -24.309 9.016 1.00 0.00 C ATOM 1070 CG GLU A 75 1.953 -22.892 8.484 1.00 0.00 C ATOM 1071 CD GLU A 75 0.788 -22.146 9.105 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.212 -22.802 9.467 1.00 0.00 O ATOM 1073 OE2 GLU A 75 0.875 -20.906 9.230 1.00 0.00 O ATOM 0 H GLU A 75 3.991 -26.589 9.299 1.00 0.00 H new ATOM 0 HA GLU A 75 2.392 -25.388 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.095 -24.741 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.541 -24.274 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.875 -22.345 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.824 -22.925 7.402 1.00 0.00 H new ATOM 1080 N VAL A 76 4.428 -24.142 6.549 1.00 0.00 N ATOM 1081 CA VAL A 76 5.658 -23.489 6.116 1.00 0.00 C ATOM 1082 C VAL A 76 5.360 -22.296 5.215 1.00 0.00 C ATOM 1083 O VAL A 76 4.463 -22.349 4.374 1.00 0.00 O ATOM 1084 CB VAL A 76 6.578 -24.469 5.364 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.981 -23.894 5.238 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.608 -25.818 6.067 1.00 0.00 C ATOM 0 H VAL A 76 3.726 -24.246 5.817 1.00 0.00 H new ATOM 0 HA VAL A 76 6.166 -23.142 7.016 1.00 0.00 H new ATOM 0 HB VAL A 76 6.179 -24.617 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.617 -24.600 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.941 -22.954 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.392 -23.716 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.263 -26.498 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.982 -25.691 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.601 -26.233 6.100 1.00 0.00 H new ATOM 1096 N VAL A 77 6.119 -21.220 5.397 1.00 0.00 N ATOM 1097 CA VAL A 77 5.937 -20.013 4.599 1.00 0.00 C ATOM 1098 C VAL A 77 7.278 -19.377 4.253 1.00 0.00 C ATOM 1099 O VAL A 77 8.323 -19.792 4.755 1.00 0.00 O ATOM 1100 CB VAL A 77 5.066 -18.979 5.336 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.774 -19.619 5.823 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.835 -18.363 6.495 1.00 0.00 C ATOM 0 H VAL A 77 6.865 -21.159 6.090 1.00 0.00 H new ATOM 0 HA VAL A 77 5.432 -20.313 3.681 1.00 0.00 H new ATOM 0 HB VAL A 77 4.809 -18.183 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.171 -18.873 6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.217 -20.007 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.007 -20.436 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.204 -17.635 7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.125 -19.146 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.728 -17.867 6.116 1.00 0.00 H new ATOM 1112 N TYR A 78 7.242 -18.366 3.392 1.00 0.00 N ATOM 1113 CA TYR A 78 8.455 -17.672 2.976 1.00 0.00 C ATOM 1114 C TYR A 78 9.023 -16.836 4.118 1.00 0.00 C ATOM 1115 O TYR A 78 8.559 -15.727 4.382 1.00 0.00 O ATOM 1116 CB TYR A 78 8.168 -16.778 1.768 1.00 0.00 C ATOM 1117 CG TYR A 78 8.794 -17.275 0.485 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.167 -17.461 0.384 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.011 -17.559 -0.628 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.742 -17.914 -0.787 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.578 -18.013 -1.803 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.944 -18.189 -1.877 1.00 0.00 C ATOM 1123 OH TYR A 78 10.514 -18.642 -3.045 1.00 0.00 O ATOM 0 H TYR A 78 6.386 -18.009 2.968 1.00 0.00 H new ATOM 0 HA TYR A 78 9.195 -18.422 2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.089 -16.702 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.534 -15.773 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.796 -17.248 1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.941 -17.422 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.811 -18.052 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.955 -18.229 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 78 11.325 -19.151 -2.837 1.00 0.00 H new ATOM 1133 N SER A 79 10.033 -17.376 4.793 1.00 0.00 N ATOM 1134 CA SER A 79 10.664 -16.683 5.910 1.00 0.00 C ATOM 1135 C SER A 79 11.063 -15.265 5.513 1.00 0.00 C ATOM 1136 O SER A 79 11.788 -15.060 4.540 1.00 0.00 O ATOM 1137 CB SER A 79 11.895 -17.456 6.388 1.00 0.00 C ATOM 1138 OG SER A 79 12.877 -16.578 6.911 1.00 0.00 O ATOM 0 H SER A 79 10.432 -18.292 4.586 1.00 0.00 H new ATOM 0 HA SER A 79 9.942 -16.625 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.602 -18.176 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.316 -18.025 5.559 1.00 0.00 H new ATOM 0 HG SER A 79 13.491 -17.080 7.487 1.00 0.00 H new ATOM 1144 N LYS A 80 10.582 -14.287 6.275 1.00 0.00 N ATOM 1145 CA LYS A 80 10.888 -12.887 6.006 1.00 0.00 C ATOM 1146 C LYS A 80 11.876 -12.339 7.030 1.00 0.00 C ATOM 1147 O LYS A 80 12.579 -11.362 6.769 1.00 0.00 O ATOM 1148 CB LYS A 80 9.605 -12.052 6.022 1.00 0.00 C ATOM 1149 CG LYS A 80 8.699 -12.351 7.203 1.00 0.00 C ATOM 1150 CD LYS A 80 7.593 -13.322 6.826 1.00 0.00 C ATOM 1151 CE LYS A 80 6.293 -12.992 7.545 1.00 0.00 C ATOM 1152 NZ LYS A 80 6.383 -13.267 9.006 1.00 0.00 N ATOM 0 H LYS A 80 9.979 -14.439 7.083 1.00 0.00 H new ATOM 0 HA LYS A 80 11.344 -12.824 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.870 -10.995 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.054 -12.230 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.289 -12.769 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.260 -11.423 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.432 -13.291 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.899 -14.338 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.047 -11.942 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.481 -13.578 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.478 -13.030 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.593 -14.274 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.141 -12.689 9.422 1.00 0.00 H new TER 1166 LYS A 80