USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 13 GLN : amide:sc= 0.0845 K(o=0.77,f=-7.3!) USER MOD Set 1.2: A 16 LYS NZ :NH3+ -151:sc= 0.689 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 165:sc= -0.0256 (180deg=-0.319) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -49:sc= 0.778 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc=-0.00221 (180deg=-0.0606) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.193) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0188) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.657 K(o=-0.66,f=-3.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -81:sc= 0.101 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -0.0467 (180deg=-0.339) USER MOD Single : A 62 GLN : amide:sc= -0.676 K(o=-0.68,f=-0.046) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.397 -18.684 -10.582 1.00 54.13 N ATOM 2 CA PRO A 1 -2.557 -19.594 -9.799 1.00 64.11 C ATOM 3 C PRO A 1 -1.399 -18.872 -9.118 1.00 31.33 C ATOM 4 O PRO A 1 -1.253 -17.656 -9.244 1.00 31.43 O ATOM 5 CB PRO A 1 -2.030 -20.580 -10.845 1.00 55.34 C ATOM 6 CG PRO A 1 -2.074 -19.827 -12.130 1.00 44.03 C ATOM 7 CD PRO A 1 -3.258 -18.906 -12.031 1.00 73.33 C ATOM 0 H2 PRO A 1 -3.148 -17.720 -10.362 1.00 54.13 H new ATOM 0 H3 PRO A 1 -4.373 -18.808 -10.313 1.00 54.13 H new ATOM 0 HA PRO A 1 -3.113 -20.067 -8.990 1.00 64.11 H new ATOM 0 HB2 PRO A 1 -1.016 -20.903 -10.610 1.00 55.34 H new ATOM 0 HB3 PRO A 1 -2.648 -21.477 -10.890 1.00 55.34 H new ATOM 0 HG2 PRO A 1 -1.154 -19.264 -12.284 1.00 44.03 H new ATOM 0 HG3 PRO A 1 -2.178 -20.506 -12.977 1.00 44.03 H new ATOM 0 HD2 PRO A 1 -3.086 -17.972 -12.566 1.00 73.33 H new ATOM 0 HD3 PRO A 1 -4.155 -19.357 -12.456 1.00 73.33 H new ATOM 15 N ARG A 2 -0.579 -19.629 -8.396 1.00 45.12 N ATOM 16 CA ARG A 2 0.566 -19.060 -7.694 1.00 71.44 C ATOM 17 C ARG A 2 1.771 -19.993 -7.774 1.00 72.31 C ATOM 18 O ARG A 2 1.783 -21.061 -7.163 1.00 51.02 O ATOM 19 CB ARG A 2 0.211 -18.792 -6.231 1.00 5.43 C ATOM 20 CG ARG A 2 -0.508 -17.471 -6.011 1.00 0.11 C ATOM 21 CD ARG A 2 -2.017 -17.655 -5.990 1.00 73.44 C ATOM 22 NE ARG A 2 -2.443 -18.565 -4.930 1.00 72.24 N ATOM 23 CZ ARG A 2 -3.713 -18.875 -4.694 1.00 11.43 C ATOM 24 NH1 ARG A 2 -4.677 -18.350 -5.438 1.00 64.24 N ATOM 25 NH2 ARG A 2 -4.021 -19.711 -3.711 1.00 14.34 N ATOM 0 H ARG A 2 -0.686 -20.637 -8.282 1.00 45.12 H new ATOM 0 HA ARG A 2 0.826 -18.118 -8.177 1.00 71.44 H new ATOM 0 HB2 ARG A 2 -0.417 -19.603 -5.864 1.00 5.43 H new ATOM 0 HB3 ARG A 2 1.125 -18.802 -5.636 1.00 5.43 H new ATOM 0 HG2 ARG A 2 -0.181 -17.030 -5.069 1.00 0.11 H new ATOM 0 HG3 ARG A 2 -0.237 -16.772 -6.802 1.00 0.11 H new ATOM 0 HD2 ARG A 2 -2.498 -16.687 -5.852 1.00 73.44 H new ATOM 0 HD3 ARG A 2 -2.349 -18.041 -6.954 1.00 73.44 H new ATOM 0 HE ARG A 2 -1.726 -18.985 -4.339 1.00 72.24 H new ATOM 0 HH11 ARG A 2 -4.444 -17.706 -6.194 1.00 64.24 H new ATOM 0 HH12 ARG A 2 -5.651 -18.590 -5.254 1.00 64.24 H new ATOM 0 HH21 ARG A 2 -3.282 -20.116 -3.136 1.00 14.34 H new ATOM 0 HH22 ARG A 2 -4.996 -19.949 -3.530 1.00 14.34 H new ATOM 39 N ASN A 3 2.782 -19.582 -8.532 1.00 1.20 N ATOM 40 CA ASN A 3 3.991 -20.381 -8.693 1.00 24.13 C ATOM 41 C ASN A 3 5.081 -19.920 -7.729 1.00 55.42 C ATOM 42 O ASN A 3 6.272 -20.040 -8.017 1.00 30.34 O ATOM 43 CB ASN A 3 4.498 -20.293 -10.133 1.00 45.35 C ATOM 44 CG ASN A 3 3.412 -20.592 -11.148 1.00 71.02 C ATOM 45 OD1 ASN A 3 2.589 -21.485 -10.948 1.00 31.33 O ATOM 46 ND2 ASN A 3 3.405 -19.844 -12.245 1.00 61.15 N ATOM 0 H ASN A 3 2.788 -18.700 -9.045 1.00 1.20 H new ATOM 0 HA ASN A 3 3.744 -21.418 -8.465 1.00 24.13 H new ATOM 0 HB2 ASN A 3 4.896 -19.295 -10.315 1.00 45.35 H new ATOM 0 HB3 ASN A 3 5.321 -20.994 -10.269 1.00 45.35 H new ATOM 0 HD21 ASN A 3 2.698 -19.999 -12.963 1.00 61.15 H new ATOM 0 HD22 ASN A 3 4.107 -19.114 -12.369 1.00 61.15 H new ATOM 53 N THR A 4 4.664 -19.390 -6.583 1.00 32.41 N ATOM 54 CA THR A 4 5.603 -18.910 -5.577 1.00 35.11 C ATOM 55 C THR A 4 6.179 -20.066 -4.766 1.00 55.43 C ATOM 56 O THR A 4 7.315 -20.001 -4.296 1.00 54.15 O ATOM 57 CB THR A 4 4.934 -17.908 -4.617 1.00 74.02 C ATOM 58 OG1 THR A 4 3.962 -18.579 -3.807 1.00 23.31 O ATOM 59 CG2 THR A 4 4.265 -16.782 -5.391 1.00 12.22 C ATOM 0 H THR A 4 3.682 -19.282 -6.329 1.00 32.41 H new ATOM 0 HA THR A 4 6.409 -18.407 -6.112 1.00 35.11 H new ATOM 0 HB THR A 4 5.706 -17.480 -3.978 1.00 74.02 H new ATOM 0 HG1 THR A 4 3.543 -17.935 -3.198 1.00 23.31 H new ATOM 0 HG21 THR A 4 3.799 -16.087 -4.692 1.00 12.22 H new ATOM 0 HG22 THR A 4 5.012 -16.254 -5.984 1.00 12.22 H new ATOM 0 HG23 THR A 4 3.504 -17.197 -6.052 1.00 12.22 H new ATOM 67 N ARG A 5 5.388 -21.122 -4.607 1.00 23.14 N ATOM 68 CA ARG A 5 5.820 -22.292 -3.852 1.00 24.20 C ATOM 69 C ARG A 5 6.851 -23.096 -4.639 1.00 25.24 C ATOM 70 O ARG A 5 7.518 -23.973 -4.090 1.00 72.32 O ATOM 71 CB ARG A 5 4.620 -23.177 -3.511 1.00 21.32 C ATOM 72 CG ARG A 5 3.854 -22.717 -2.282 1.00 12.04 C ATOM 73 CD ARG A 5 4.472 -23.262 -1.003 1.00 51.24 C ATOM 74 NE ARG A 5 5.524 -22.389 -0.489 1.00 14.12 N ATOM 75 CZ ARG A 5 5.285 -21.263 0.174 1.00 0.23 C ATOM 76 NH1 ARG A 5 4.038 -20.875 0.402 1.00 33.54 N ATOM 77 NH2 ARG A 5 6.295 -20.522 0.611 1.00 4.03 N ATOM 0 H ARG A 5 4.445 -21.191 -4.991 1.00 23.14 H new ATOM 0 HA ARG A 5 6.282 -21.946 -2.927 1.00 24.20 H new ATOM 0 HB2 ARG A 5 3.942 -23.199 -4.364 1.00 21.32 H new ATOM 0 HB3 ARG A 5 4.966 -24.198 -3.352 1.00 21.32 H new ATOM 0 HG2 ARG A 5 3.842 -21.628 -2.246 1.00 12.04 H new ATOM 0 HG3 ARG A 5 2.817 -23.045 -2.355 1.00 12.04 H new ATOM 0 HD2 ARG A 5 3.696 -23.379 -0.247 1.00 51.24 H new ATOM 0 HD3 ARG A 5 4.884 -24.253 -1.193 1.00 51.24 H new ATOM 0 HE ARG A 5 6.495 -22.659 -0.648 1.00 14.12 H new ATOM 0 HH11 ARG A 5 3.258 -21.442 0.068 1.00 33.54 H new ATOM 0 HH12 ARG A 5 3.858 -20.010 0.911 1.00 33.54 H new ATOM 0 HH21 ARG A 5 7.256 -20.817 0.438 1.00 4.03 H new ATOM 0 HH22 ARG A 5 6.110 -19.658 1.120 1.00 4.03 H new ATOM 91 N GLU A 6 6.976 -22.790 -5.926 1.00 71.33 N ATOM 92 CA GLU A 6 7.925 -23.486 -6.788 1.00 12.22 C ATOM 93 C GLU A 6 9.355 -23.043 -6.491 1.00 73.01 C ATOM 94 O GLU A 6 10.314 -23.611 -7.014 1.00 34.10 O ATOM 95 CB GLU A 6 7.595 -23.229 -8.260 1.00 13.14 C ATOM 96 CG GLU A 6 6.176 -23.615 -8.642 1.00 33.35 C ATOM 97 CD GLU A 6 6.080 -25.033 -9.172 1.00 52.41 C ATOM 98 OE1 GLU A 6 5.233 -25.278 -10.057 1.00 22.00 O ATOM 99 OE2 GLU A 6 6.850 -25.896 -8.703 1.00 3.21 O ATOM 0 H GLU A 6 6.433 -22.065 -6.395 1.00 71.33 H new ATOM 0 HA GLU A 6 7.844 -24.554 -6.587 1.00 12.22 H new ATOM 0 HB2 GLU A 6 7.746 -22.172 -8.478 1.00 13.14 H new ATOM 0 HB3 GLU A 6 8.294 -23.786 -8.883 1.00 13.14 H new ATOM 0 HG2 GLU A 6 5.528 -23.512 -7.771 1.00 33.35 H new ATOM 0 HG3 GLU A 6 5.806 -22.923 -9.398 1.00 33.35 H new ATOM 106 N VAL A 7 9.490 -22.024 -5.648 1.00 54.13 N ATOM 107 CA VAL A 7 10.801 -21.504 -5.281 1.00 24.21 C ATOM 108 C VAL A 7 11.732 -22.626 -4.834 1.00 74.41 C ATOM 109 O VAL A 7 12.946 -22.554 -5.025 1.00 52.10 O ATOM 110 CB VAL A 7 10.696 -20.460 -4.153 1.00 73.24 C ATOM 111 CG1 VAL A 7 10.066 -19.176 -4.671 1.00 74.44 C ATOM 112 CG2 VAL A 7 9.901 -21.019 -2.983 1.00 21.41 C ATOM 0 H VAL A 7 8.707 -21.542 -5.206 1.00 54.13 H new ATOM 0 HA VAL A 7 11.212 -21.027 -6.171 1.00 24.21 H new ATOM 0 HB VAL A 7 11.701 -20.227 -3.802 1.00 73.24 H new ATOM 0 HG11 VAL A 7 10.000 -18.450 -3.860 1.00 74.44 H new ATOM 0 HG12 VAL A 7 10.680 -18.768 -5.474 1.00 74.44 H new ATOM 0 HG13 VAL A 7 9.066 -19.388 -5.050 1.00 74.44 H new ATOM 0 HG21 VAL A 7 9.837 -20.268 -2.195 1.00 21.41 H new ATOM 0 HG22 VAL A 7 8.897 -21.281 -3.317 1.00 21.41 H new ATOM 0 HG23 VAL A 7 10.399 -21.909 -2.597 1.00 21.41 H new ATOM 122 N PHE A 8 11.154 -23.664 -4.239 1.00 20.45 N ATOM 123 CA PHE A 8 11.931 -24.803 -3.764 1.00 24.15 C ATOM 124 C PHE A 8 12.833 -25.345 -4.869 1.00 32.31 C ATOM 125 O PHE A 8 13.910 -25.876 -4.601 1.00 62.22 O ATOM 126 CB PHE A 8 11.001 -25.909 -3.261 1.00 11.34 C ATOM 127 CG PHE A 8 10.395 -26.730 -4.363 1.00 24.13 C ATOM 128 CD1 PHE A 8 10.738 -28.063 -4.520 1.00 24.23 C ATOM 129 CD2 PHE A 8 9.483 -26.169 -5.242 1.00 44.30 C ATOM 130 CE1 PHE A 8 10.183 -28.822 -5.533 1.00 32.13 C ATOM 131 CE2 PHE A 8 8.924 -26.923 -6.256 1.00 43.44 C ATOM 132 CZ PHE A 8 9.275 -28.251 -6.403 1.00 2.53 C ATOM 0 H PHE A 8 10.150 -23.740 -4.074 1.00 20.45 H new ATOM 0 HA PHE A 8 12.559 -24.464 -2.940 1.00 24.15 H new ATOM 0 HB2 PHE A 8 11.559 -26.566 -2.594 1.00 11.34 H new ATOM 0 HB3 PHE A 8 10.202 -25.460 -2.671 1.00 11.34 H new ATOM 0 HD1 PHE A 8 11.448 -28.515 -3.843 1.00 24.23 H new ATOM 0 HD2 PHE A 8 9.206 -25.131 -5.134 1.00 44.30 H new ATOM 0 HE1 PHE A 8 10.459 -29.860 -5.644 1.00 32.13 H new ATOM 0 HE2 PHE A 8 8.213 -26.474 -6.934 1.00 43.44 H new ATOM 0 HZ PHE A 8 8.840 -28.841 -7.196 1.00 2.53 H new ATOM 142 N ALA A 9 12.383 -25.208 -6.112 1.00 10.42 N ATOM 143 CA ALA A 9 13.148 -25.682 -7.258 1.00 44.31 C ATOM 144 C ALA A 9 14.568 -25.124 -7.239 1.00 75.03 C ATOM 145 O ALA A 9 15.512 -25.792 -7.660 1.00 55.24 O ATOM 146 CB ALA A 9 12.447 -25.302 -8.554 1.00 64.42 C ATOM 0 H ALA A 9 11.492 -24.772 -6.351 1.00 10.42 H new ATOM 0 HA ALA A 9 13.212 -26.768 -7.197 1.00 44.31 H new ATOM 0 HB1 ALA A 9 13.030 -25.662 -9.402 1.00 64.42 H new ATOM 0 HB2 ALA A 9 11.455 -25.753 -8.577 1.00 64.42 H new ATOM 0 HB3 ALA A 9 12.354 -24.218 -8.613 1.00 64.42 H new ATOM 152 N GLN A 10 14.710 -23.897 -6.749 1.00 53.22 N ATOM 153 CA GLN A 10 16.014 -23.250 -6.677 1.00 44.35 C ATOM 154 C GLN A 10 16.767 -23.679 -5.422 1.00 54.20 C ATOM 155 O GLN A 10 17.982 -23.870 -5.449 1.00 64.22 O ATOM 156 CB GLN A 10 15.854 -21.729 -6.696 1.00 4.54 C ATOM 157 CG GLN A 10 17.171 -20.980 -6.825 1.00 1.15 C ATOM 158 CD GLN A 10 16.988 -19.475 -6.840 1.00 32.11 C ATOM 159 OE1 GLN A 10 16.104 -18.953 -7.519 1.00 54.24 O ATOM 160 NE2 GLN A 10 17.825 -18.769 -6.089 1.00 15.23 N ATOM 0 H GLN A 10 13.938 -23.331 -6.396 1.00 53.22 H new ATOM 0 HA GLN A 10 16.593 -23.558 -7.548 1.00 44.35 H new ATOM 0 HB2 GLN A 10 15.205 -21.451 -7.526 1.00 4.54 H new ATOM 0 HB3 GLN A 10 15.354 -21.413 -5.780 1.00 4.54 H new ATOM 0 HG2 GLN A 10 17.823 -21.255 -5.996 1.00 1.15 H new ATOM 0 HG3 GLN A 10 17.673 -21.290 -7.742 1.00 1.15 H new ATOM 0 HE21 GLN A 10 18.543 -19.243 -5.542 1.00 15.23 H new ATOM 0 HE22 GLN A 10 17.750 -17.752 -6.059 1.00 15.23 H new ATOM 169 N VAL A 11 16.035 -23.828 -4.322 1.00 24.01 N ATOM 170 CA VAL A 11 16.633 -24.235 -3.056 1.00 63.31 C ATOM 171 C VAL A 11 17.393 -25.549 -3.204 1.00 41.45 C ATOM 172 O VAL A 11 18.391 -25.782 -2.522 1.00 32.40 O ATOM 173 CB VAL A 11 15.566 -24.394 -1.957 1.00 2.44 C ATOM 174 CG1 VAL A 11 16.207 -24.835 -0.650 1.00 3.13 C ATOM 175 CG2 VAL A 11 14.797 -23.095 -1.771 1.00 13.34 C ATOM 0 H VAL A 11 15.028 -23.673 -4.282 1.00 24.01 H new ATOM 0 HA VAL A 11 17.328 -23.447 -2.767 1.00 63.31 H new ATOM 0 HB VAL A 11 14.862 -25.166 -2.267 1.00 2.44 H new ATOM 0 HG11 VAL A 11 15.438 -24.942 0.115 1.00 3.13 H new ATOM 0 HG12 VAL A 11 16.709 -25.791 -0.796 1.00 3.13 H new ATOM 0 HG13 VAL A 11 16.934 -24.088 -0.331 1.00 3.13 H new ATOM 0 HG21 VAL A 11 14.047 -23.225 -0.991 1.00 13.34 H new ATOM 0 HG22 VAL A 11 15.487 -22.302 -1.483 1.00 13.34 H new ATOM 0 HG23 VAL A 11 14.305 -22.826 -2.706 1.00 13.34 H new ATOM 185 N LYS A 12 16.915 -26.404 -4.102 1.00 20.23 N ATOM 186 CA LYS A 12 17.549 -27.695 -4.343 1.00 2.22 C ATOM 187 C LYS A 12 19.036 -27.524 -4.640 1.00 15.42 C ATOM 188 O LYS A 12 19.844 -28.398 -4.329 1.00 12.13 O ATOM 189 CB LYS A 12 16.865 -28.413 -5.508 1.00 52.31 C ATOM 190 CG LYS A 12 15.895 -29.496 -5.070 1.00 14.04 C ATOM 191 CD LYS A 12 14.535 -28.917 -4.716 1.00 1.15 C ATOM 192 CE LYS A 12 14.450 -28.556 -3.240 1.00 42.45 C ATOM 193 NZ LYS A 12 13.940 -29.689 -2.420 1.00 51.13 N ATOM 0 H LYS A 12 16.090 -26.226 -4.675 1.00 20.23 H new ATOM 0 HA LYS A 12 17.443 -28.297 -3.441 1.00 2.22 H new ATOM 0 HB2 LYS A 12 16.330 -27.680 -6.111 1.00 52.31 H new ATOM 0 HB3 LYS A 12 17.627 -28.857 -6.148 1.00 52.31 H new ATOM 0 HG2 LYS A 12 15.782 -30.229 -5.868 1.00 14.04 H new ATOM 0 HG3 LYS A 12 16.302 -30.024 -4.208 1.00 14.04 H new ATOM 0 HD2 LYS A 12 14.348 -28.029 -5.320 1.00 1.15 H new ATOM 0 HD3 LYS A 12 13.756 -29.639 -4.961 1.00 1.15 H new ATOM 0 HE2 LYS A 12 15.436 -28.263 -2.881 1.00 42.45 H new ATOM 0 HE3 LYS A 12 13.796 -27.693 -3.114 1.00 42.45 H new ATOM 0 HZ1 LYS A 12 13.897 -29.403 -1.421 1.00 51.13 H new ATOM 0 HZ2 LYS A 12 12.988 -29.953 -2.746 1.00 51.13 H new ATOM 0 HZ3 LYS A 12 14.578 -30.504 -2.519 1.00 51.13 H new ATOM 207 N GLN A 13 19.388 -26.392 -5.242 1.00 33.14 N ATOM 208 CA GLN A 13 20.777 -26.107 -5.579 1.00 63.41 C ATOM 209 C GLN A 13 21.671 -26.220 -4.348 1.00 74.11 C ATOM 210 O GLN A 13 22.725 -26.853 -4.391 1.00 1.14 O ATOM 211 CB GLN A 13 20.900 -24.709 -6.187 1.00 24.01 C ATOM 212 CG GLN A 13 22.104 -24.547 -7.101 1.00 4.45 C ATOM 213 CD GLN A 13 21.767 -24.787 -8.559 1.00 21.12 C ATOM 214 OE1 GLN A 13 22.203 -25.773 -9.154 1.00 51.13 O ATOM 215 NE2 GLN A 13 20.987 -23.885 -9.143 1.00 32.23 N ATOM 0 H GLN A 13 18.731 -25.658 -5.506 1.00 33.14 H new ATOM 0 HA GLN A 13 21.105 -26.844 -6.312 1.00 63.41 H new ATOM 0 HB2 GLN A 13 19.994 -24.486 -6.750 1.00 24.01 H new ATOM 0 HB3 GLN A 13 20.964 -23.976 -5.383 1.00 24.01 H new ATOM 0 HG2 GLN A 13 22.509 -23.542 -6.987 1.00 4.45 H new ATOM 0 HG3 GLN A 13 22.885 -25.242 -6.793 1.00 4.45 H new ATOM 0 HE21 GLN A 13 20.648 -23.083 -8.612 1.00 32.23 H new ATOM 0 HE22 GLN A 13 20.726 -23.994 -10.123 1.00 32.23 H new ATOM 224 N MET A 14 21.241 -25.602 -3.253 1.00 2.31 N ATOM 225 CA MET A 14 22.002 -25.634 -2.009 1.00 45.35 C ATOM 226 C MET A 14 23.423 -25.122 -2.228 1.00 72.43 C ATOM 227 O MET A 14 24.344 -25.489 -1.498 1.00 41.13 O ATOM 228 CB MET A 14 22.041 -27.056 -1.447 1.00 11.25 C ATOM 229 CG MET A 14 20.706 -27.526 -0.892 1.00 2.15 C ATOM 230 SD MET A 14 20.756 -29.234 -0.315 1.00 43.33 S ATOM 231 CE MET A 14 21.839 -29.081 1.103 1.00 3.21 C ATOM 0 H MET A 14 20.370 -25.073 -3.202 1.00 2.31 H new ATOM 0 HA MET A 14 21.506 -24.981 -1.291 1.00 45.35 H new ATOM 0 HB2 MET A 14 22.360 -27.740 -2.233 1.00 11.25 H new ATOM 0 HB3 MET A 14 22.791 -27.106 -0.658 1.00 11.25 H new ATOM 0 HG2 MET A 14 20.411 -26.877 -0.068 1.00 2.15 H new ATOM 0 HG3 MET A 14 19.942 -27.429 -1.663 1.00 2.15 H new ATOM 0 HE1 MET A 14 21.761 -29.977 1.719 1.00 3.21 H new ATOM 0 HE2 MET A 14 22.868 -28.962 0.764 1.00 3.21 H new ATOM 0 HE3 MET A 14 21.548 -28.210 1.691 1.00 3.21 H new ATOM 241 N TYR A 15 23.593 -24.275 -3.237 1.00 32.00 N ATOM 242 CA TYR A 15 24.902 -23.716 -3.553 1.00 52.12 C ATOM 243 C TYR A 15 25.944 -24.820 -3.704 1.00 11.15 C ATOM 244 O TYR A 15 26.766 -25.040 -2.814 1.00 32.33 O ATOM 245 CB TYR A 15 25.337 -22.734 -2.464 1.00 54.32 C ATOM 246 CG TYR A 15 24.836 -21.324 -2.685 1.00 34.22 C ATOM 247 CD1 TYR A 15 25.703 -20.240 -2.625 1.00 61.41 C ATOM 248 CD2 TYR A 15 23.495 -21.076 -2.952 1.00 70.10 C ATOM 249 CE1 TYR A 15 25.250 -18.951 -2.825 1.00 50.23 C ATOM 250 CE2 TYR A 15 23.033 -19.790 -3.155 1.00 62.10 C ATOM 251 CZ TYR A 15 23.914 -18.731 -3.090 1.00 44.15 C ATOM 252 OH TYR A 15 23.458 -17.448 -3.291 1.00 21.23 O ATOM 0 H TYR A 15 22.841 -23.961 -3.850 1.00 32.00 H new ATOM 0 HA TYR A 15 24.822 -23.185 -4.501 1.00 52.12 H new ATOM 0 HB2 TYR A 15 24.977 -23.092 -1.499 1.00 54.32 H new ATOM 0 HB3 TYR A 15 26.426 -22.720 -2.413 1.00 54.32 H new ATOM 0 HD1 TYR A 15 26.750 -20.408 -2.418 1.00 61.41 H new ATOM 0 HD2 TYR A 15 22.802 -21.903 -3.002 1.00 70.10 H new ATOM 0 HE1 TYR A 15 25.938 -18.120 -2.774 1.00 50.23 H new ATOM 0 HE2 TYR A 15 21.988 -19.615 -3.363 1.00 62.10 H new ATOM 0 HH TYR A 15 22.494 -17.467 -3.467 1.00 21.23 H new ATOM 262 N LYS A 16 25.904 -25.512 -4.837 1.00 50.53 N ATOM 263 CA LYS A 16 26.845 -26.592 -5.108 1.00 74.15 C ATOM 264 C LYS A 16 28.283 -26.085 -5.068 1.00 15.15 C ATOM 265 O LYS A 16 28.849 -25.709 -6.094 1.00 63.03 O ATOM 266 CB LYS A 16 26.553 -27.220 -6.473 1.00 54.44 C ATOM 267 CG LYS A 16 25.131 -27.734 -6.615 1.00 35.24 C ATOM 268 CD LYS A 16 24.432 -27.119 -7.816 1.00 32.52 C ATOM 269 CE LYS A 16 25.024 -27.623 -9.123 1.00 61.01 C ATOM 270 NZ LYS A 16 24.753 -26.689 -10.251 1.00 3.02 N ATOM 0 H LYS A 16 25.229 -25.344 -5.583 1.00 50.53 H new ATOM 0 HA LYS A 16 26.723 -27.348 -4.333 1.00 74.15 H new ATOM 0 HB2 LYS A 16 26.743 -26.481 -7.251 1.00 54.44 H new ATOM 0 HB3 LYS A 16 27.247 -28.044 -6.640 1.00 54.44 H new ATOM 0 HG2 LYS A 16 25.144 -28.819 -6.717 1.00 35.24 H new ATOM 0 HG3 LYS A 16 24.569 -27.506 -5.710 1.00 35.24 H new ATOM 0 HD2 LYS A 16 23.369 -27.357 -7.781 1.00 32.52 H new ATOM 0 HD3 LYS A 16 24.517 -26.033 -7.771 1.00 32.52 H new ATOM 0 HE2 LYS A 16 26.100 -27.752 -9.009 1.00 61.01 H new ATOM 0 HE3 LYS A 16 24.609 -28.604 -9.356 1.00 61.01 H new ATOM 0 HZ1 LYS A 16 24.707 -27.224 -11.142 1.00 3.02 H new ATOM 0 HZ2 LYS A 16 23.846 -26.205 -10.091 1.00 3.02 H new ATOM 0 HZ3 LYS A 16 25.516 -25.984 -10.309 1.00 3.02 H new ATOM 284 N THR A 17 28.869 -26.078 -3.875 1.00 2.15 N ATOM 285 CA THR A 17 30.241 -25.617 -3.700 1.00 71.40 C ATOM 286 C THR A 17 30.993 -26.494 -2.706 1.00 20.44 C ATOM 287 O THR A 17 31.741 -26.010 -1.856 1.00 30.21 O ATOM 288 CB THR A 17 30.286 -24.156 -3.215 1.00 35.23 C ATOM 289 OG1 THR A 17 31.643 -23.705 -3.142 1.00 73.31 O ATOM 290 CG2 THR A 17 29.626 -24.019 -1.851 1.00 5.34 C ATOM 0 H THR A 17 28.415 -26.386 -3.015 1.00 2.15 H new ATOM 0 HA THR A 17 30.723 -25.683 -4.676 1.00 71.40 H new ATOM 0 HB THR A 17 29.738 -23.542 -3.930 1.00 35.23 H new ATOM 0 HG1 THR A 17 32.181 -24.363 -2.653 1.00 73.31 H new ATOM 0 HG21 THR A 17 29.670 -22.979 -1.529 1.00 5.34 H new ATOM 0 HG22 THR A 17 28.585 -24.335 -1.917 1.00 5.34 H new ATOM 0 HG23 THR A 17 30.150 -24.645 -1.129 1.00 5.34 H new ATOM 298 N PRO A 18 30.793 -27.816 -2.812 1.00 33.43 N ATOM 299 CA PRO A 18 31.445 -28.789 -1.930 1.00 32.12 C ATOM 300 C PRO A 18 32.943 -28.896 -2.192 1.00 61.00 C ATOM 301 O PRO A 18 33.401 -29.814 -2.874 1.00 3.24 O ATOM 302 CB PRO A 18 30.746 -30.106 -2.276 1.00 70.23 C ATOM 303 CG PRO A 18 30.260 -29.921 -3.672 1.00 71.44 C ATOM 304 CD PRO A 18 29.915 -28.463 -3.801 1.00 72.50 C ATOM 0 HA PRO A 18 31.360 -28.509 -0.880 1.00 32.12 H new ATOM 0 HB2 PRO A 18 31.433 -30.949 -2.204 1.00 70.23 H new ATOM 0 HB3 PRO A 18 29.921 -30.308 -1.593 1.00 70.23 H new ATOM 0 HG2 PRO A 18 31.026 -30.206 -4.393 1.00 71.44 H new ATOM 0 HG3 PRO A 18 29.389 -30.547 -3.868 1.00 71.44 H new ATOM 0 HD2 PRO A 18 30.104 -28.093 -4.809 1.00 72.50 H new ATOM 0 HD3 PRO A 18 28.863 -28.278 -3.586 1.00 72.50 H new ATOM 312 N THR A 19 33.704 -27.952 -1.646 1.00 73.12 N ATOM 313 CA THR A 19 35.150 -27.940 -1.822 1.00 5.13 C ATOM 314 C THR A 19 35.867 -27.928 -0.476 1.00 44.25 C ATOM 315 O THR A 19 35.328 -27.450 0.522 1.00 14.41 O ATOM 316 CB THR A 19 35.606 -26.720 -2.644 1.00 63.15 C ATOM 317 OG1 THR A 19 34.586 -26.350 -3.578 1.00 52.03 O ATOM 318 CG2 THR A 19 36.898 -27.022 -3.390 1.00 34.02 C ATOM 0 H THR A 19 33.342 -27.186 -1.078 1.00 73.12 H new ATOM 0 HA THR A 19 35.410 -28.850 -2.362 1.00 5.13 H new ATOM 0 HB THR A 19 35.786 -25.893 -1.957 1.00 63.15 H new ATOM 0 HG1 THR A 19 34.883 -25.573 -4.096 1.00 52.03 H new ATOM 0 HG21 THR A 19 37.200 -26.146 -3.963 1.00 34.02 H new ATOM 0 HG22 THR A 19 37.680 -27.275 -2.675 1.00 34.02 H new ATOM 0 HG23 THR A 19 36.740 -27.862 -4.067 1.00 34.02 H new ATOM 326 N LEU A 20 37.086 -28.456 -0.456 1.00 43.34 N ATOM 327 CA LEU A 20 37.879 -28.505 0.768 1.00 74.04 C ATOM 328 C LEU A 20 38.972 -27.441 0.752 1.00 74.32 C ATOM 329 O LEU A 20 40.125 -27.725 0.427 1.00 31.14 O ATOM 330 CB LEU A 20 38.502 -29.891 0.939 1.00 24.12 C ATOM 331 CG LEU A 20 37.713 -31.060 0.349 1.00 31.22 C ATOM 332 CD1 LEU A 20 38.486 -32.360 0.507 1.00 64.14 C ATOM 333 CD2 LEU A 20 36.346 -31.168 1.009 1.00 11.41 C ATOM 0 H LEU A 20 37.547 -28.856 -1.273 1.00 43.34 H new ATOM 0 HA LEU A 20 37.216 -28.305 1.610 1.00 74.04 H new ATOM 0 HB2 LEU A 20 39.492 -29.881 0.484 1.00 24.12 H new ATOM 0 HB3 LEU A 20 38.643 -30.075 2.004 1.00 24.12 H new ATOM 0 HG LEU A 20 37.568 -30.874 -0.715 1.00 31.22 H new ATOM 0 HD11 LEU A 20 37.909 -33.181 0.081 1.00 64.14 H new ATOM 0 HD12 LEU A 20 39.441 -32.281 -0.012 1.00 64.14 H new ATOM 0 HD13 LEU A 20 38.663 -32.552 1.565 1.00 64.14 H new ATOM 0 HD21 LEU A 20 35.798 -32.005 0.577 1.00 11.41 H new ATOM 0 HD22 LEU A 20 36.471 -31.330 2.080 1.00 11.41 H new ATOM 0 HD23 LEU A 20 35.788 -30.246 0.844 1.00 11.41 H new ATOM 345 N LYS A 21 38.602 -26.215 1.107 1.00 60.35 N ATOM 346 CA LYS A 21 39.551 -25.108 1.137 1.00 34.41 C ATOM 347 C LYS A 21 40.199 -24.986 2.512 1.00 4.31 C ATOM 348 O LYS A 21 41.412 -25.148 2.654 1.00 74.41 O ATOM 349 CB LYS A 21 38.849 -23.798 0.774 1.00 54.10 C ATOM 350 CG LYS A 21 37.354 -23.813 1.044 1.00 21.34 C ATOM 351 CD LYS A 21 36.782 -22.406 1.096 1.00 22.51 C ATOM 352 CE LYS A 21 35.310 -22.417 1.477 1.00 12.03 C ATOM 353 NZ LYS A 21 34.474 -23.089 0.444 1.00 1.10 N ATOM 0 H LYS A 21 37.652 -25.963 1.378 1.00 60.35 H new ATOM 0 HA LYS A 21 40.331 -25.310 0.403 1.00 34.41 H new ATOM 0 HB2 LYS A 21 39.303 -22.984 1.338 1.00 54.10 H new ATOM 0 HB3 LYS A 21 39.017 -23.586 -0.282 1.00 54.10 H new ATOM 0 HG2 LYS A 21 36.848 -24.384 0.265 1.00 21.34 H new ATOM 0 HG3 LYS A 21 37.159 -24.321 1.988 1.00 21.34 H new ATOM 0 HD2 LYS A 21 37.341 -21.811 1.818 1.00 22.51 H new ATOM 0 HD3 LYS A 21 36.904 -21.926 0.125 1.00 22.51 H new ATOM 0 HE2 LYS A 21 35.186 -22.927 2.432 1.00 12.03 H new ATOM 0 HE3 LYS A 21 34.963 -21.393 1.615 1.00 12.03 H new ATOM 0 HZ1 LYS A 21 33.468 -22.972 0.681 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 34.662 -22.663 -0.486 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 34.707 -24.102 0.414 1.00 1.10 H new ATOM 367 N TYR A 22 39.385 -24.700 3.522 1.00 42.42 N ATOM 368 CA TYR A 22 39.881 -24.554 4.886 1.00 75.45 C ATOM 369 C TYR A 22 39.887 -25.898 5.609 1.00 41.24 C ATOM 370 O TYR A 22 40.906 -26.314 6.161 1.00 14.34 O ATOM 371 CB TYR A 22 39.023 -23.551 5.658 1.00 34.00 C ATOM 372 CG TYR A 22 39.385 -22.109 5.386 1.00 52.54 C ATOM 373 CD1 TYR A 22 40.683 -21.650 5.574 1.00 61.51 C ATOM 374 CD2 TYR A 22 38.429 -21.204 4.941 1.00 50.50 C ATOM 375 CE1 TYR A 22 41.019 -20.333 5.327 1.00 34.30 C ATOM 376 CE2 TYR A 22 38.756 -19.885 4.690 1.00 32.02 C ATOM 377 CZ TYR A 22 40.052 -19.455 4.885 1.00 53.42 C ATOM 378 OH TYR A 22 40.381 -18.142 4.637 1.00 10.45 O ATOM 0 H TYR A 22 38.379 -24.565 3.422 1.00 42.42 H new ATOM 0 HA TYR A 22 40.905 -24.183 4.836 1.00 75.45 H new ATOM 0 HB2 TYR A 22 37.975 -23.708 5.401 1.00 34.00 H new ATOM 0 HB3 TYR A 22 39.122 -23.747 6.726 1.00 34.00 H new ATOM 0 HD1 TYR A 22 41.443 -22.335 5.919 1.00 61.51 H new ATOM 0 HD2 TYR A 22 37.413 -21.537 4.789 1.00 50.50 H new ATOM 0 HE1 TYR A 22 42.033 -19.993 5.479 1.00 34.30 H new ATOM 0 HE2 TYR A 22 38.001 -19.195 4.343 1.00 32.02 H new ATOM 0 HH TYR A 22 39.586 -17.658 4.331 1.00 10.45 H new ATOM 388 N PHE A 23 38.742 -26.573 5.600 1.00 43.33 N ATOM 389 CA PHE A 23 38.614 -27.869 6.254 1.00 22.44 C ATOM 390 C PHE A 23 38.045 -28.910 5.294 1.00 15.52 C ATOM 391 O PHE A 23 38.591 -30.002 5.149 1.00 4.12 O ATOM 392 CB PHE A 23 37.719 -27.754 7.490 1.00 75.54 C ATOM 393 CG PHE A 23 36.450 -26.989 7.241 1.00 22.23 C ATOM 394 CD1 PHE A 23 35.263 -27.655 6.984 1.00 34.14 C ATOM 395 CD2 PHE A 23 36.446 -25.604 7.264 1.00 13.23 C ATOM 396 CE1 PHE A 23 34.094 -26.954 6.756 1.00 54.11 C ATOM 397 CE2 PHE A 23 35.280 -24.897 7.037 1.00 72.31 C ATOM 398 CZ PHE A 23 34.103 -25.573 6.781 1.00 34.12 C ATOM 0 H PHE A 23 37.890 -26.243 5.147 1.00 43.33 H new ATOM 0 HA PHE A 23 39.608 -28.192 6.563 1.00 22.44 H new ATOM 0 HB2 PHE A 23 37.468 -28.755 7.841 1.00 75.54 H new ATOM 0 HB3 PHE A 23 38.277 -27.266 8.289 1.00 75.54 H new ATOM 0 HD1 PHE A 23 35.251 -28.735 6.962 1.00 34.14 H new ATOM 0 HD2 PHE A 23 37.364 -25.071 7.461 1.00 13.23 H new ATOM 0 HE1 PHE A 23 33.175 -27.485 6.559 1.00 54.11 H new ATOM 0 HE2 PHE A 23 35.289 -23.817 7.060 1.00 72.31 H new ATOM 0 HZ PHE A 23 33.191 -25.023 6.601 1.00 34.12 H new ATOM 408 N GLY A 24 36.940 -28.561 4.640 1.00 3.14 N ATOM 409 CA GLY A 24 36.314 -29.474 3.703 1.00 73.50 C ATOM 410 C GLY A 24 35.276 -30.361 4.363 1.00 42.01 C ATOM 411 O GLY A 24 34.282 -29.872 4.899 1.00 63.44 O ATOM 0 H GLY A 24 36.468 -27.662 4.743 1.00 3.14 H new ATOM 0 HA2 GLY A 24 35.843 -28.903 2.903 1.00 73.50 H new ATOM 0 HA3 GLY A 24 37.080 -30.098 3.241 1.00 73.50 H new ATOM 415 N GLY A 25 35.507 -31.670 4.323 1.00 14.00 N ATOM 416 CA GLY A 25 34.574 -32.606 4.924 1.00 43.13 C ATOM 417 C GLY A 25 35.097 -34.029 4.920 1.00 44.44 C ATOM 418 O GLY A 25 34.598 -34.879 4.183 1.00 32.41 O ATOM 0 H GLY A 25 36.323 -32.099 3.886 1.00 14.00 H new ATOM 0 HA2 GLY A 25 34.368 -32.301 5.950 1.00 43.13 H new ATOM 0 HA3 GLY A 25 33.628 -32.568 4.384 1.00 43.13 H new ATOM 422 N PHE A 26 36.108 -34.288 5.743 1.00 74.30 N ATOM 423 CA PHE A 26 36.701 -35.618 5.830 1.00 40.54 C ATOM 424 C PHE A 26 36.368 -36.276 7.165 1.00 12.12 C ATOM 425 O PHE A 26 36.595 -35.698 8.227 1.00 34.45 O ATOM 426 CB PHE A 26 38.219 -35.534 5.654 1.00 73.23 C ATOM 427 CG PHE A 26 38.882 -34.589 6.614 1.00 43.33 C ATOM 428 CD1 PHE A 26 39.395 -35.048 7.816 1.00 3.10 C ATOM 429 CD2 PHE A 26 38.993 -33.240 6.314 1.00 73.41 C ATOM 430 CE1 PHE A 26 40.007 -34.181 8.702 1.00 51.54 C ATOM 431 CE2 PHE A 26 39.604 -32.368 7.195 1.00 34.52 C ATOM 432 CZ PHE A 26 40.110 -32.839 8.391 1.00 42.20 C ATOM 0 H PHE A 26 36.534 -33.595 6.359 1.00 74.30 H new ATOM 0 HA PHE A 26 36.282 -36.229 5.030 1.00 40.54 H new ATOM 0 HB2 PHE A 26 38.647 -36.528 5.781 1.00 73.23 H new ATOM 0 HB3 PHE A 26 38.442 -35.219 4.634 1.00 73.23 H new ATOM 0 HD1 PHE A 26 39.316 -36.096 8.064 1.00 3.10 H new ATOM 0 HD2 PHE A 26 38.597 -32.866 5.381 1.00 73.41 H new ATOM 0 HE1 PHE A 26 40.404 -34.552 9.635 1.00 51.54 H new ATOM 0 HE2 PHE A 26 39.686 -31.320 6.949 1.00 34.52 H new ATOM 0 HZ PHE A 26 40.586 -32.159 9.082 1.00 42.20 H new ATOM 442 N ASN A 27 35.827 -37.489 7.102 1.00 44.52 N ATOM 443 CA ASN A 27 35.461 -38.226 8.306 1.00 43.04 C ATOM 444 C ASN A 27 36.104 -39.610 8.312 1.00 13.23 C ATOM 445 O ASN A 27 36.613 -40.074 7.292 1.00 22.53 O ATOM 446 CB ASN A 27 33.940 -38.357 8.406 1.00 62.02 C ATOM 447 CG ASN A 27 33.449 -38.305 9.839 1.00 34.35 C ATOM 448 OD1 ASN A 27 34.129 -37.782 10.722 1.00 31.22 O ATOM 449 ND2 ASN A 27 32.261 -38.850 10.078 1.00 41.25 N ATOM 0 H ASN A 27 35.633 -37.982 6.230 1.00 44.52 H new ATOM 0 HA ASN A 27 35.828 -37.670 9.169 1.00 43.04 H new ATOM 0 HB2 ASN A 27 33.471 -37.556 7.835 1.00 62.02 H new ATOM 0 HB3 ASN A 27 33.628 -39.298 7.952 1.00 62.02 H new ATOM 0 HD21 ASN A 27 31.879 -38.846 11.024 1.00 41.25 H new ATOM 0 HD22 ASN A 27 31.731 -39.273 9.316 1.00 41.25 H new ATOM 456 N PHE A 28 36.075 -40.264 9.469 1.00 42.22 N ATOM 457 CA PHE A 28 36.655 -41.595 9.609 1.00 52.50 C ATOM 458 C PHE A 28 35.792 -42.640 8.908 1.00 23.11 C ATOM 459 O PHE A 28 36.292 -43.670 8.455 1.00 34.14 O ATOM 460 CB PHE A 28 36.810 -41.953 11.088 1.00 33.23 C ATOM 461 CG PHE A 28 37.478 -40.880 11.899 1.00 42.33 C ATOM 462 CD1 PHE A 28 36.772 -40.181 12.864 1.00 11.13 C ATOM 463 CD2 PHE A 28 38.813 -40.569 11.694 1.00 20.13 C ATOM 464 CE1 PHE A 28 37.384 -39.193 13.612 1.00 42.30 C ATOM 465 CE2 PHE A 28 39.431 -39.582 12.439 1.00 33.31 C ATOM 466 CZ PHE A 28 38.715 -38.892 13.398 1.00 22.43 C ATOM 0 H PHE A 28 35.656 -39.894 10.322 1.00 42.22 H new ATOM 0 HA PHE A 28 37.639 -41.588 9.139 1.00 52.50 H new ATOM 0 HB2 PHE A 28 35.825 -42.155 11.509 1.00 33.23 H new ATOM 0 HB3 PHE A 28 37.388 -42.873 11.172 1.00 33.23 H new ATOM 0 HD1 PHE A 28 35.731 -40.411 13.034 1.00 11.13 H new ATOM 0 HD2 PHE A 28 39.377 -41.104 10.944 1.00 20.13 H new ATOM 0 HE1 PHE A 28 36.822 -38.657 14.363 1.00 42.30 H new ATOM 0 HE2 PHE A 28 40.473 -39.351 12.271 1.00 33.31 H new ATOM 0 HZ PHE A 28 39.195 -38.119 13.979 1.00 22.43 H new ATOM 476 N SER A 29 34.494 -42.367 8.823 1.00 21.23 N ATOM 477 CA SER A 29 33.560 -43.285 8.182 1.00 63.31 C ATOM 478 C SER A 29 33.550 -43.082 6.670 1.00 41.51 C ATOM 479 O SER A 29 32.803 -43.743 5.950 1.00 41.04 O ATOM 480 CB SER A 29 32.151 -43.088 8.744 1.00 22.31 C ATOM 481 OG SER A 29 32.171 -43.028 10.160 1.00 52.53 O ATOM 0 H SER A 29 34.065 -41.517 9.190 1.00 21.23 H new ATOM 0 HA SER A 29 33.888 -44.303 8.392 1.00 63.31 H new ATOM 0 HB2 SER A 29 31.722 -42.170 8.344 1.00 22.31 H new ATOM 0 HB3 SER A 29 31.509 -43.907 8.421 1.00 22.31 H new ATOM 0 HG SER A 29 31.259 -42.900 10.495 1.00 52.53 H new ATOM 487 N GLN A 30 34.385 -42.161 6.198 1.00 74.34 N ATOM 488 CA GLN A 30 34.471 -41.869 4.772 1.00 64.34 C ATOM 489 C GLN A 30 35.517 -42.751 4.098 1.00 63.50 C ATOM 490 O GLN A 30 35.435 -43.024 2.900 1.00 53.00 O ATOM 491 CB GLN A 30 34.813 -40.395 4.551 1.00 15.54 C ATOM 492 CG GLN A 30 34.407 -39.874 3.182 1.00 75.11 C ATOM 493 CD GLN A 30 33.103 -39.101 3.214 1.00 1.24 C ATOM 494 OE1 GLN A 30 32.070 -39.620 3.638 1.00 70.34 O ATOM 495 NE2 GLN A 30 33.144 -37.851 2.766 1.00 23.44 N ATOM 0 H GLN A 30 35.010 -41.605 6.781 1.00 74.34 H new ATOM 0 HA GLN A 30 33.500 -42.081 4.325 1.00 64.34 H new ATOM 0 HB2 GLN A 30 34.321 -39.798 5.318 1.00 15.54 H new ATOM 0 HB3 GLN A 30 35.887 -40.257 4.679 1.00 15.54 H new ATOM 0 HG2 GLN A 30 35.197 -39.231 2.794 1.00 75.11 H new ATOM 0 HG3 GLN A 30 34.311 -40.713 2.492 1.00 75.11 H new ATOM 0 HE21 GLN A 30 34.022 -37.461 2.423 1.00 23.44 H new ATOM 0 HE22 GLN A 30 32.298 -37.282 2.765 1.00 23.44 H new ATOM 504 N ILE A 31 36.500 -43.194 4.875 1.00 31.21 N ATOM 505 CA ILE A 31 37.561 -44.046 4.353 1.00 22.11 C ATOM 506 C ILE A 31 37.264 -45.518 4.617 1.00 25.33 C ATOM 507 O ILE A 31 38.175 -46.346 4.673 1.00 73.33 O ATOM 508 CB ILE A 31 38.925 -43.690 4.973 1.00 43.31 C ATOM 509 CG1 ILE A 31 38.882 -43.868 6.492 1.00 60.10 C ATOM 510 CG2 ILE A 31 39.314 -42.264 4.613 1.00 45.25 C ATOM 511 CD1 ILE A 31 40.041 -44.672 7.039 1.00 34.02 C ATOM 0 H ILE A 31 36.583 -42.977 5.868 1.00 31.21 H new ATOM 0 HA ILE A 31 37.604 -43.874 3.278 1.00 22.11 H new ATOM 0 HB ILE A 31 39.679 -44.365 4.568 1.00 43.31 H new ATOM 0 HG12 ILE A 31 38.876 -42.886 6.965 1.00 60.10 H new ATOM 0 HG13 ILE A 31 37.948 -44.359 6.766 1.00 60.10 H new ATOM 0 HG21 ILE A 31 40.280 -42.027 5.058 1.00 45.25 H new ATOM 0 HG22 ILE A 31 39.380 -42.168 3.529 1.00 45.25 H new ATOM 0 HG23 ILE A 31 38.560 -41.574 4.993 1.00 45.25 H new ATOM 0 HD11 ILE A 31 39.945 -44.758 8.121 1.00 34.02 H new ATOM 0 HD12 ILE A 31 40.036 -45.667 6.594 1.00 34.02 H new ATOM 0 HD13 ILE A 31 40.978 -44.171 6.796 1.00 34.02 H new ATOM 523 N LEU A 32 35.985 -45.839 4.778 1.00 3.42 N ATOM 524 CA LEU A 32 35.567 -47.212 5.035 1.00 70.43 C ATOM 525 C LEU A 32 35.157 -47.907 3.740 1.00 31.43 C ATOM 526 O LEU A 32 34.831 -47.268 2.740 1.00 72.10 O ATOM 527 CB LEU A 32 34.405 -47.235 6.029 1.00 21.24 C ATOM 528 CG LEU A 32 34.786 -47.154 7.508 1.00 12.41 C ATOM 529 CD1 LEU A 32 33.543 -47.005 8.372 1.00 50.52 C ATOM 530 CD2 LEU A 32 35.581 -48.383 7.923 1.00 43.24 C ATOM 0 H LEU A 32 35.219 -45.166 4.735 1.00 3.42 H new ATOM 0 HA LEU A 32 36.413 -47.749 5.463 1.00 70.43 H new ATOM 0 HB2 LEU A 32 33.740 -46.402 5.799 1.00 21.24 H new ATOM 0 HB3 LEU A 32 33.835 -48.151 5.871 1.00 21.24 H new ATOM 0 HG LEU A 32 35.413 -46.274 7.654 1.00 12.41 H new ATOM 0 HD11 LEU A 32 33.834 -46.949 9.421 1.00 50.52 H new ATOM 0 HD12 LEU A 32 33.013 -46.094 8.093 1.00 50.52 H new ATOM 0 HD13 LEU A 32 32.890 -47.865 8.222 1.00 50.52 H new ATOM 0 HD21 LEU A 32 35.843 -48.307 8.978 1.00 43.24 H new ATOM 0 HD22 LEU A 32 34.979 -49.277 7.762 1.00 43.24 H new ATOM 0 HD23 LEU A 32 36.491 -48.446 7.327 1.00 43.24 H new ATOM 542 N PRO A 33 35.171 -49.249 3.758 1.00 0.54 N ATOM 543 CA PRO A 33 34.801 -50.060 2.595 1.00 53.20 C ATOM 544 C PRO A 33 33.310 -49.982 2.285 1.00 73.01 C ATOM 545 O PRO A 33 32.515 -49.545 3.117 1.00 10.31 O ATOM 546 CB PRO A 33 35.186 -51.480 3.016 1.00 71.21 C ATOM 547 CG PRO A 33 35.134 -51.461 4.505 1.00 75.54 C ATOM 548 CD PRO A 33 35.549 -50.076 4.916 1.00 20.22 C ATOM 0 HA PRO A 33 35.298 -49.721 1.686 1.00 53.20 H new ATOM 0 HB2 PRO A 33 34.495 -52.216 2.605 1.00 71.21 H new ATOM 0 HB3 PRO A 33 36.181 -51.743 2.658 1.00 71.21 H new ATOM 0 HG2 PRO A 33 34.130 -51.690 4.863 1.00 75.54 H new ATOM 0 HG3 PRO A 33 35.803 -52.211 4.928 1.00 75.54 H new ATOM 0 HD2 PRO A 33 35.037 -49.756 5.823 1.00 20.22 H new ATOM 0 HD3 PRO A 33 36.619 -50.020 5.118 1.00 20.22 H new ATOM 556 N SER A 34 32.937 -50.409 1.083 1.00 72.42 N ATOM 557 CA SER A 34 31.541 -50.385 0.662 1.00 51.21 C ATOM 558 C SER A 34 31.348 -51.176 -0.628 1.00 64.41 C ATOM 559 O SER A 34 31.066 -50.622 -1.690 1.00 74.14 O ATOM 560 CB SER A 34 31.071 -48.942 0.463 1.00 24.43 C ATOM 561 OG SER A 34 29.677 -48.889 0.215 1.00 63.55 O ATOM 0 H SER A 34 33.582 -50.776 0.383 1.00 72.42 H new ATOM 0 HA SER A 34 30.943 -50.850 1.446 1.00 51.21 H new ATOM 0 HB2 SER A 34 31.308 -48.353 1.349 1.00 24.43 H new ATOM 0 HB3 SER A 34 31.609 -48.493 -0.372 1.00 24.43 H new ATOM 0 HG SER A 34 29.402 -47.956 0.093 1.00 63.55 H new ATOM 567 N PRO A 35 31.505 -52.505 -0.535 1.00 24.22 N ATOM 568 CA PRO A 35 31.353 -53.403 -1.684 1.00 4.13 C ATOM 569 C PRO A 35 29.905 -53.508 -2.150 1.00 22.15 C ATOM 570 O PRO A 35 28.976 -53.418 -1.346 1.00 52.23 O ATOM 571 CB PRO A 35 31.842 -54.751 -1.148 1.00 10.12 C ATOM 572 CG PRO A 35 31.627 -54.674 0.324 1.00 14.23 C ATOM 573 CD PRO A 35 31.843 -53.234 0.700 1.00 52.24 C ATOM 0 HA PRO A 35 31.906 -53.049 -2.554 1.00 4.13 H new ATOM 0 HB2 PRO A 35 31.283 -55.578 -1.587 1.00 10.12 H new ATOM 0 HB3 PRO A 35 32.893 -54.914 -1.387 1.00 10.12 H new ATOM 0 HG2 PRO A 35 30.621 -55.000 0.589 1.00 14.23 H new ATOM 0 HG3 PRO A 35 32.323 -55.324 0.854 1.00 14.23 H new ATOM 0 HD2 PRO A 35 31.204 -52.935 1.531 1.00 52.24 H new ATOM 0 HD3 PRO A 35 32.872 -53.049 1.007 1.00 52.24 H new ATOM 581 N LEU A 36 29.720 -53.700 -3.451 1.00 12.21 N ATOM 582 CA LEU A 36 28.383 -53.818 -4.024 1.00 65.11 C ATOM 583 C LEU A 36 28.454 -54.248 -5.486 1.00 1.02 C ATOM 584 O LEU A 36 29.459 -54.027 -6.162 1.00 23.24 O ATOM 585 CB LEU A 36 27.637 -52.488 -3.907 1.00 44.22 C ATOM 586 CG LEU A 36 28.112 -51.368 -4.835 1.00 30.44 C ATOM 587 CD1 LEU A 36 29.626 -51.238 -4.782 1.00 2.40 C ATOM 588 CD2 LEU A 36 27.646 -51.624 -6.261 1.00 1.24 C ATOM 0 H LEU A 36 30.478 -53.777 -4.129 1.00 12.21 H new ATOM 0 HA LEU A 36 27.841 -54.581 -3.466 1.00 65.11 H new ATOM 0 HB2 LEU A 36 26.580 -52.669 -4.100 1.00 44.22 H new ATOM 0 HB3 LEU A 36 27.717 -52.138 -2.878 1.00 44.22 H new ATOM 0 HG LEU A 36 27.675 -50.429 -4.494 1.00 30.44 H new ATOM 0 HD11 LEU A 36 29.946 -50.437 -5.448 1.00 2.40 H new ATOM 0 HD12 LEU A 36 29.936 -51.008 -3.763 1.00 2.40 H new ATOM 0 HD13 LEU A 36 30.083 -52.176 -5.097 1.00 2.40 H new ATOM 0 HD21 LEU A 36 27.993 -50.818 -6.907 1.00 1.24 H new ATOM 0 HD22 LEU A 36 28.054 -52.572 -6.612 1.00 1.24 H new ATOM 0 HD23 LEU A 36 26.557 -51.666 -6.286 1.00 1.24 H new ATOM 600 N LYS A 37 27.379 -54.861 -5.969 1.00 62.43 N ATOM 601 CA LYS A 37 27.316 -55.320 -7.352 1.00 42.40 C ATOM 602 C LYS A 37 25.949 -55.920 -7.665 1.00 1.43 C ATOM 603 O LYS A 37 25.792 -57.134 -7.795 1.00 45.21 O ATOM 604 CB LYS A 37 28.412 -56.354 -7.619 1.00 30.25 C ATOM 605 CG LYS A 37 28.898 -56.369 -9.057 1.00 51.55 C ATOM 606 CD LYS A 37 28.373 -57.579 -9.811 1.00 51.13 C ATOM 607 CE LYS A 37 29.284 -58.784 -9.634 1.00 71.03 C ATOM 608 NZ LYS A 37 28.784 -59.707 -8.578 1.00 1.33 N ATOM 0 H LYS A 37 26.539 -55.052 -5.423 1.00 62.43 H new ATOM 0 HA LYS A 37 27.472 -54.459 -8.001 1.00 42.40 H new ATOM 0 HB2 LYS A 37 29.257 -56.153 -6.961 1.00 30.25 H new ATOM 0 HB3 LYS A 37 28.036 -57.344 -7.361 1.00 30.25 H new ATOM 0 HG2 LYS A 37 28.576 -55.458 -9.560 1.00 51.55 H new ATOM 0 HG3 LYS A 37 29.988 -56.374 -9.074 1.00 51.55 H new ATOM 0 HD2 LYS A 37 27.372 -57.823 -9.457 1.00 51.13 H new ATOM 0 HD3 LYS A 37 28.287 -57.339 -10.871 1.00 51.13 H new ATOM 0 HE2 LYS A 37 29.363 -59.322 -10.579 1.00 71.03 H new ATOM 0 HE3 LYS A 37 30.287 -58.446 -9.375 1.00 71.03 H new ATOM 0 HZ1 LYS A 37 29.284 -60.616 -8.646 1.00 1.33 H new ATOM 0 HZ2 LYS A 37 28.954 -59.288 -7.642 1.00 1.33 H new ATOM 0 HZ3 LYS A 37 27.764 -59.863 -8.708 1.00 1.33 H new ATOM 622 N PRO A 38 24.935 -55.051 -7.790 1.00 0.44 N ATOM 623 CA PRO A 38 23.564 -55.472 -8.091 1.00 33.24 C ATOM 624 C PRO A 38 23.418 -55.997 -9.515 1.00 22.42 C ATOM 625 O PRO A 38 23.002 -55.270 -10.417 1.00 41.40 O ATOM 626 CB PRO A 38 22.750 -54.189 -7.908 1.00 52.32 C ATOM 627 CG PRO A 38 23.723 -53.086 -8.146 1.00 30.10 C ATOM 628 CD PRO A 38 25.049 -53.589 -7.647 1.00 62.40 C ATOM 0 HA PRO A 38 23.240 -56.293 -7.451 1.00 33.24 H new ATOM 0 HB2 PRO A 38 21.920 -54.143 -8.612 1.00 52.32 H new ATOM 0 HB3 PRO A 38 22.322 -54.131 -6.907 1.00 52.32 H new ATOM 0 HG2 PRO A 38 23.775 -52.833 -9.205 1.00 30.10 H new ATOM 0 HG3 PRO A 38 23.424 -52.181 -7.617 1.00 30.10 H new ATOM 0 HD2 PRO A 38 25.877 -53.191 -8.234 1.00 62.40 H new ATOM 0 HD3 PRO A 38 25.225 -53.299 -6.611 1.00 62.40 H new ATOM 636 N THR A 39 23.763 -57.266 -9.711 1.00 61.31 N ATOM 637 CA THR A 39 23.671 -57.889 -11.026 1.00 5.43 C ATOM 638 C THR A 39 22.272 -58.439 -11.277 1.00 25.51 C ATOM 639 O THR A 39 21.842 -58.570 -12.423 1.00 15.31 O ATOM 640 CB THR A 39 24.695 -59.029 -11.180 1.00 23.11 C ATOM 641 OG1 THR A 39 24.546 -59.652 -12.461 1.00 12.23 O ATOM 642 CG2 THR A 39 24.518 -60.067 -10.082 1.00 64.20 C ATOM 0 H THR A 39 24.109 -57.883 -8.976 1.00 61.31 H new ATOM 0 HA THR A 39 23.890 -57.113 -11.760 1.00 5.43 H new ATOM 0 HB THR A 39 25.695 -58.603 -11.098 1.00 23.11 H new ATOM 0 HG1 THR A 39 25.202 -60.375 -12.552 1.00 12.23 H new ATOM 0 HG21 THR A 39 25.252 -60.862 -10.211 1.00 64.20 H new ATOM 0 HG22 THR A 39 24.661 -59.596 -9.110 1.00 64.20 H new ATOM 0 HG23 THR A 39 23.514 -60.488 -10.137 1.00 64.20 H new ATOM 650 N LYS A 40 21.566 -58.761 -10.199 1.00 20.44 N ATOM 651 CA LYS A 40 20.214 -59.297 -10.301 1.00 53.21 C ATOM 652 C LYS A 40 19.328 -58.380 -11.138 1.00 74.04 C ATOM 653 O LYS A 40 18.497 -58.847 -11.919 1.00 5.24 O ATOM 654 CB LYS A 40 19.607 -59.476 -8.908 1.00 22.45 C ATOM 655 CG LYS A 40 18.909 -60.811 -8.716 1.00 35.33 C ATOM 656 CD LYS A 40 17.472 -60.764 -9.207 1.00 75.32 C ATOM 657 CE LYS A 40 16.585 -61.724 -8.429 1.00 74.11 C ATOM 658 NZ LYS A 40 17.022 -63.138 -8.591 1.00 74.44 N ATOM 0 H LYS A 40 21.908 -58.660 -9.243 1.00 20.44 H new ATOM 0 HA LYS A 40 20.271 -60.268 -10.793 1.00 53.21 H new ATOM 0 HB2 LYS A 40 20.395 -59.377 -8.162 1.00 22.45 H new ATOM 0 HB3 LYS A 40 18.893 -58.673 -8.726 1.00 22.45 H new ATOM 0 HG2 LYS A 40 19.453 -61.588 -9.254 1.00 35.33 H new ATOM 0 HG3 LYS A 40 18.925 -61.083 -7.661 1.00 35.33 H new ATOM 0 HD2 LYS A 40 17.086 -59.749 -9.109 1.00 75.32 H new ATOM 0 HD3 LYS A 40 17.440 -61.016 -10.267 1.00 75.32 H new ATOM 0 HE2 LYS A 40 16.601 -61.458 -7.372 1.00 74.11 H new ATOM 0 HE3 LYS A 40 15.554 -61.621 -8.768 1.00 74.11 H new ATOM 0 HZ1 LYS A 40 16.335 -63.769 -8.131 1.00 74.44 H new ATOM 0 HZ2 LYS A 40 17.080 -63.370 -9.603 1.00 74.44 H new ATOM 0 HZ3 LYS A 40 17.956 -63.265 -8.153 1.00 74.44 H new ATOM 672 N ARG A 41 19.511 -57.074 -10.972 1.00 74.31 N ATOM 673 CA ARG A 41 18.728 -56.093 -11.713 1.00 53.40 C ATOM 674 C ARG A 41 18.907 -56.277 -13.217 1.00 64.10 C ATOM 675 O ARG A 41 18.000 -55.996 -14.000 1.00 1.42 O ATOM 676 CB ARG A 41 19.135 -54.674 -11.310 1.00 65.31 C ATOM 677 CG ARG A 41 20.496 -54.257 -11.844 1.00 52.32 C ATOM 678 CD ARG A 41 21.089 -53.118 -11.029 1.00 30.42 C ATOM 679 NE ARG A 41 20.623 -51.814 -11.491 1.00 1.43 N ATOM 680 CZ ARG A 41 21.128 -51.184 -12.546 1.00 72.51 C ATOM 681 NH1 ARG A 41 22.109 -51.738 -13.245 1.00 71.04 N ATOM 682 NH2 ARG A 41 20.651 -49.999 -12.904 1.00 73.23 N ATOM 0 H ARG A 41 20.195 -56.671 -10.331 1.00 74.31 H new ATOM 0 HA ARG A 41 17.677 -56.246 -11.469 1.00 53.40 H new ATOM 0 HB2 ARG A 41 18.382 -53.973 -11.670 1.00 65.31 H new ATOM 0 HB3 ARG A 41 19.143 -54.602 -10.222 1.00 65.31 H new ATOM 0 HG2 ARG A 41 21.173 -55.111 -11.824 1.00 52.32 H new ATOM 0 HG3 ARG A 41 20.401 -53.950 -12.885 1.00 52.32 H new ATOM 0 HD2 ARG A 41 20.824 -53.247 -9.980 1.00 30.42 H new ATOM 0 HD3 ARG A 41 22.177 -53.157 -11.090 1.00 30.42 H new ATOM 0 HE ARG A 41 19.868 -51.362 -10.975 1.00 1.43 H new ATOM 0 HH11 ARG A 41 22.477 -52.649 -12.973 1.00 71.04 H new ATOM 0 HH12 ARG A 41 22.495 -51.253 -14.055 1.00 71.04 H new ATOM 0 HH21 ARG A 41 19.896 -49.570 -12.369 1.00 73.23 H new ATOM 0 HH22 ARG A 41 21.040 -49.516 -13.714 1.00 73.23 H new ATOM 696 N SER A 42 20.084 -56.751 -13.614 1.00 22.15 N ATOM 697 CA SER A 42 20.385 -56.969 -15.024 1.00 33.03 C ATOM 698 C SER A 42 20.022 -58.390 -15.443 1.00 74.22 C ATOM 699 O SER A 42 20.805 -59.075 -16.101 1.00 23.11 O ATOM 700 CB SER A 42 21.867 -56.707 -15.297 1.00 60.44 C ATOM 701 OG SER A 42 22.247 -55.416 -14.856 1.00 11.44 O ATOM 0 H SER A 42 20.845 -56.991 -12.979 1.00 22.15 H new ATOM 0 HA SER A 42 19.786 -56.272 -15.610 1.00 33.03 H new ATOM 0 HB2 SER A 42 22.472 -57.460 -14.791 1.00 60.44 H new ATOM 0 HB3 SER A 42 22.066 -56.803 -16.364 1.00 60.44 H new ATOM 0 HG SER A 42 23.199 -55.274 -15.041 1.00 11.44 H new ATOM 707 N PHE A 43 18.827 -58.827 -15.058 1.00 23.34 N ATOM 708 CA PHE A 43 18.359 -60.167 -15.392 1.00 20.21 C ATOM 709 C PHE A 43 17.920 -60.242 -16.851 1.00 42.55 C ATOM 710 O PHE A 43 17.862 -61.322 -17.439 1.00 34.34 O ATOM 711 CB PHE A 43 17.199 -60.568 -14.478 1.00 2.01 C ATOM 712 CG PHE A 43 15.954 -59.758 -14.699 1.00 40.32 C ATOM 713 CD1 PHE A 43 15.001 -60.164 -15.619 1.00 64.25 C ATOM 714 CD2 PHE A 43 15.736 -58.589 -13.987 1.00 65.11 C ATOM 715 CE1 PHE A 43 13.854 -59.421 -15.825 1.00 63.13 C ATOM 716 CE2 PHE A 43 14.591 -57.842 -14.188 1.00 61.23 C ATOM 717 CZ PHE A 43 13.649 -58.258 -15.109 1.00 45.04 C ATOM 0 H PHE A 43 18.165 -58.273 -14.515 1.00 23.34 H new ATOM 0 HA PHE A 43 19.186 -60.861 -15.243 1.00 20.21 H new ATOM 0 HB2 PHE A 43 16.970 -61.622 -14.636 1.00 2.01 H new ATOM 0 HB3 PHE A 43 17.512 -60.462 -13.439 1.00 2.01 H new ATOM 0 HD1 PHE A 43 15.156 -61.072 -16.182 1.00 64.25 H new ATOM 0 HD2 PHE A 43 16.470 -58.258 -13.267 1.00 65.11 H new ATOM 0 HE1 PHE A 43 13.119 -59.749 -16.545 1.00 63.13 H new ATOM 0 HE2 PHE A 43 14.433 -56.934 -13.626 1.00 61.23 H new ATOM 0 HZ PHE A 43 12.754 -57.675 -15.269 1.00 45.04 H new ATOM 727 N ILE A 44 17.613 -59.086 -17.430 1.00 53.41 N ATOM 728 CA ILE A 44 17.180 -59.019 -18.820 1.00 71.24 C ATOM 729 C ILE A 44 18.153 -59.755 -19.735 1.00 3.10 C ATOM 730 O ILE A 44 17.755 -60.326 -20.749 1.00 62.33 O ATOM 731 CB ILE A 44 17.045 -57.562 -19.299 1.00 1.50 C ATOM 732 CG1 ILE A 44 16.048 -56.803 -18.421 1.00 32.54 C ATOM 733 CG2 ILE A 44 16.613 -57.521 -20.757 1.00 51.31 C ATOM 734 CD1 ILE A 44 14.634 -57.334 -18.516 1.00 2.44 C ATOM 0 H ILE A 44 17.656 -58.183 -16.958 1.00 53.41 H new ATOM 0 HA ILE A 44 16.203 -59.500 -18.869 1.00 71.24 H new ATOM 0 HB ILE A 44 18.017 -57.077 -19.215 1.00 1.50 H new ATOM 0 HG12 ILE A 44 16.378 -56.854 -17.383 1.00 32.54 H new ATOM 0 HG13 ILE A 44 16.053 -55.751 -18.706 1.00 32.54 H new ATOM 0 HG21 ILE A 44 16.522 -56.484 -21.081 1.00 51.31 H new ATOM 0 HG22 ILE A 44 17.357 -58.029 -21.371 1.00 51.31 H new ATOM 0 HG23 ILE A 44 15.650 -58.021 -20.865 1.00 51.31 H new ATOM 0 HD11 ILE A 44 13.981 -56.749 -17.868 1.00 2.44 H new ATOM 0 HD12 ILE A 44 14.285 -57.258 -19.546 1.00 2.44 H new ATOM 0 HD13 ILE A 44 14.616 -58.378 -18.203 1.00 2.44 H new ATOM 746 N GLU A 45 19.431 -59.737 -19.367 1.00 73.23 N ATOM 747 CA GLU A 45 20.461 -60.404 -20.155 1.00 31.01 C ATOM 748 C GLU A 45 20.106 -61.870 -20.386 1.00 15.00 C ATOM 749 O GLU A 45 20.467 -62.454 -21.408 1.00 2.23 O ATOM 750 CB GLU A 45 21.817 -60.301 -19.454 1.00 10.03 C ATOM 751 CG GLU A 45 22.285 -58.871 -19.241 1.00 63.24 C ATOM 752 CD GLU A 45 22.056 -57.995 -20.458 1.00 32.42 C ATOM 753 OE1 GLU A 45 21.029 -57.285 -20.492 1.00 31.44 O ATOM 754 OE2 GLU A 45 22.902 -58.020 -21.375 1.00 42.05 O ATOM 0 H GLU A 45 19.777 -59.269 -18.530 1.00 73.23 H new ATOM 0 HA GLU A 45 20.521 -59.906 -21.123 1.00 31.01 H new ATOM 0 HB2 GLU A 45 21.756 -60.802 -18.488 1.00 10.03 H new ATOM 0 HB3 GLU A 45 22.563 -60.834 -20.043 1.00 10.03 H new ATOM 0 HG2 GLU A 45 21.760 -58.444 -18.387 1.00 63.24 H new ATOM 0 HG3 GLU A 45 23.347 -58.873 -18.994 1.00 63.24 H new ATOM 761 N ASP A 46 19.396 -62.458 -19.429 1.00 72.25 N ATOM 762 CA ASP A 46 18.990 -63.856 -19.528 1.00 5.43 C ATOM 763 C ASP A 46 18.174 -64.097 -20.794 1.00 1.15 C ATOM 764 O ASP A 46 18.145 -65.208 -21.324 1.00 62.21 O ATOM 765 CB ASP A 46 18.178 -64.261 -18.297 1.00 10.21 C ATOM 766 CG ASP A 46 18.276 -65.744 -18.001 1.00 25.51 C ATOM 767 OD1 ASP A 46 17.434 -66.254 -17.232 1.00 41.31 O ATOM 768 OD2 ASP A 46 19.195 -66.397 -18.539 1.00 4.52 O ATOM 0 H ASP A 46 19.090 -61.989 -18.577 1.00 72.25 H new ATOM 0 HA ASP A 46 19.891 -64.468 -19.577 1.00 5.43 H new ATOM 0 HB2 ASP A 46 18.529 -63.697 -17.433 1.00 10.21 H new ATOM 0 HB3 ASP A 46 17.133 -63.992 -18.450 1.00 10.21 H new ATOM 773 N LEU A 47 17.511 -63.050 -21.272 1.00 70.11 N ATOM 774 CA LEU A 47 16.692 -63.148 -22.476 1.00 4.13 C ATOM 775 C LEU A 47 17.517 -63.654 -23.655 1.00 52.42 C ATOM 776 O LEU A 47 17.000 -64.335 -24.541 1.00 75.42 O ATOM 777 CB LEU A 47 16.081 -61.787 -22.812 1.00 50.24 C ATOM 778 CG LEU A 47 14.766 -61.816 -23.593 1.00 23.12 C ATOM 779 CD1 LEU A 47 13.607 -62.166 -22.673 1.00 21.02 C ATOM 780 CD2 LEU A 47 14.522 -60.479 -24.277 1.00 1.24 C ATOM 0 H LEU A 47 17.524 -62.124 -20.845 1.00 70.11 H new ATOM 0 HA LEU A 47 15.891 -63.862 -22.285 1.00 4.13 H new ATOM 0 HB2 LEU A 47 15.915 -61.246 -21.881 1.00 50.24 H new ATOM 0 HB3 LEU A 47 16.810 -61.216 -23.387 1.00 50.24 H new ATOM 0 HG LEU A 47 14.839 -62.586 -24.361 1.00 23.12 H new ATOM 0 HD11 LEU A 47 12.680 -62.182 -23.246 1.00 21.02 H new ATOM 0 HD12 LEU A 47 13.777 -63.148 -22.231 1.00 21.02 H new ATOM 0 HD13 LEU A 47 13.532 -61.420 -21.882 1.00 21.02 H new ATOM 0 HD21 LEU A 47 13.582 -60.518 -24.828 1.00 1.24 H new ATOM 0 HD22 LEU A 47 14.470 -59.690 -23.526 1.00 1.24 H new ATOM 0 HD23 LEU A 47 15.339 -60.269 -24.968 1.00 1.24 H new ATOM 792 N LEU A 48 18.802 -63.317 -23.659 1.00 71.35 N ATOM 793 CA LEU A 48 19.700 -63.739 -24.729 1.00 73.21 C ATOM 794 C LEU A 48 19.922 -65.248 -24.690 1.00 40.22 C ATOM 795 O LEU A 48 20.051 -65.894 -25.730 1.00 43.12 O ATOM 796 CB LEU A 48 21.040 -63.011 -24.613 1.00 61.55 C ATOM 797 CG LEU A 48 21.070 -61.573 -25.131 1.00 13.12 C ATOM 798 CD1 LEU A 48 22.279 -60.832 -24.581 1.00 32.54 C ATOM 799 CD2 LEU A 48 21.077 -61.553 -26.652 1.00 60.44 C ATOM 0 H LEU A 48 19.246 -62.753 -22.934 1.00 71.35 H new ATOM 0 HA LEU A 48 19.236 -63.484 -25.682 1.00 73.21 H new ATOM 0 HB2 LEU A 48 21.337 -63.004 -23.564 1.00 61.55 H new ATOM 0 HB3 LEU A 48 21.791 -63.586 -25.154 1.00 61.55 H new ATOM 0 HG LEU A 48 20.170 -61.065 -24.785 1.00 13.12 H new ATOM 0 HD11 LEU A 48 22.283 -59.810 -24.961 1.00 32.54 H new ATOM 0 HD12 LEU A 48 22.231 -60.814 -23.492 1.00 32.54 H new ATOM 0 HD13 LEU A 48 23.191 -61.340 -24.895 1.00 32.54 H new ATOM 0 HD21 LEU A 48 21.098 -60.521 -27.002 1.00 60.44 H new ATOM 0 HD22 LEU A 48 21.958 -62.079 -27.019 1.00 60.44 H new ATOM 0 HD23 LEU A 48 20.179 -62.045 -27.026 1.00 60.44 H new ATOM 811 N PHE A 49 19.963 -65.804 -23.484 1.00 5.52 N ATOM 812 CA PHE A 49 20.169 -67.237 -23.309 1.00 13.41 C ATOM 813 C PHE A 49 19.001 -68.028 -23.891 1.00 22.33 C ATOM 814 O PHE A 49 19.167 -69.164 -24.333 1.00 70.11 O ATOM 815 CB PHE A 49 20.338 -67.572 -21.826 1.00 1.14 C ATOM 816 CG PHE A 49 21.761 -67.489 -21.351 1.00 13.51 C ATOM 817 CD1 PHE A 49 22.302 -68.492 -20.564 1.00 1.25 C ATOM 818 CD2 PHE A 49 22.556 -66.407 -21.692 1.00 3.54 C ATOM 819 CE1 PHE A 49 23.611 -68.418 -20.125 1.00 71.52 C ATOM 820 CE2 PHE A 49 23.866 -66.328 -21.257 1.00 12.13 C ATOM 821 CZ PHE A 49 24.393 -67.334 -20.472 1.00 24.45 C ATOM 0 H PHE A 49 19.856 -65.284 -22.613 1.00 5.52 H new ATOM 0 HA PHE A 49 21.077 -67.517 -23.843 1.00 13.41 H new ATOM 0 HB2 PHE A 49 19.726 -66.890 -21.236 1.00 1.14 H new ATOM 0 HB3 PHE A 49 19.961 -68.578 -21.644 1.00 1.14 H new ATOM 0 HD1 PHE A 49 21.694 -69.342 -20.290 1.00 1.25 H new ATOM 0 HD2 PHE A 49 22.148 -65.616 -22.304 1.00 3.54 H new ATOM 0 HE1 PHE A 49 24.021 -69.207 -19.512 1.00 71.52 H new ATOM 0 HE2 PHE A 49 24.476 -65.480 -21.531 1.00 12.13 H new ATOM 0 HZ PHE A 49 25.416 -67.273 -20.130 1.00 24.45 H new ATOM 831 N ASN A 50 17.820 -67.419 -23.886 1.00 30.05 N ATOM 832 CA ASN A 50 16.624 -68.067 -24.411 1.00 53.45 C ATOM 833 C ASN A 50 16.850 -68.548 -25.842 1.00 13.35 C ATOM 834 O ASN A 50 16.325 -69.584 -26.250 1.00 41.12 O ATOM 835 CB ASN A 50 15.436 -67.103 -24.367 1.00 72.32 C ATOM 836 CG ASN A 50 15.045 -66.732 -22.950 1.00 0.02 C ATOM 837 OD1 ASN A 50 15.860 -66.217 -22.184 1.00 21.31 O ATOM 838 ND2 ASN A 50 13.792 -66.992 -22.594 1.00 64.51 N ATOM 0 H ASN A 50 17.666 -66.478 -23.524 1.00 30.05 H new ATOM 0 HA ASN A 50 16.405 -68.932 -23.786 1.00 53.45 H new ATOM 0 HB2 ASN A 50 15.685 -66.198 -24.921 1.00 72.32 H new ATOM 0 HB3 ASN A 50 14.583 -67.559 -24.869 1.00 72.32 H new ATOM 0 HD21 ASN A 50 13.471 -66.764 -21.653 1.00 64.51 H new ATOM 0 HD22 ASN A 50 13.150 -67.420 -23.262 1.00 64.51 H new ATOM 845 N LYS A 51 17.635 -67.788 -26.598 1.00 74.33 N ATOM 846 CA LYS A 51 17.933 -68.136 -27.982 1.00 71.44 C ATOM 847 C LYS A 51 18.718 -69.442 -28.058 1.00 72.20 C ATOM 848 O LYS A 51 18.419 -70.311 -28.877 1.00 33.41 O ATOM 849 CB LYS A 51 18.726 -67.013 -28.653 1.00 2.41 C ATOM 850 CG LYS A 51 17.855 -65.896 -29.201 1.00 75.35 C ATOM 851 CD LYS A 51 18.503 -65.219 -30.397 1.00 73.03 C ATOM 852 CE LYS A 51 19.693 -64.369 -29.979 1.00 54.12 C ATOM 853 NZ LYS A 51 20.477 -63.897 -31.154 1.00 1.04 N ATOM 0 H LYS A 51 18.076 -66.927 -26.275 1.00 74.33 H new ATOM 0 HA LYS A 51 16.988 -68.269 -28.508 1.00 71.44 H new ATOM 0 HB2 LYS A 51 19.428 -66.594 -27.932 1.00 2.41 H new ATOM 0 HB3 LYS A 51 19.318 -67.433 -29.466 1.00 2.41 H new ATOM 0 HG2 LYS A 51 16.885 -66.299 -29.492 1.00 75.35 H new ATOM 0 HG3 LYS A 51 17.673 -65.159 -28.419 1.00 75.35 H new ATOM 0 HD2 LYS A 51 18.828 -65.975 -31.112 1.00 73.03 H new ATOM 0 HD3 LYS A 51 17.768 -64.594 -30.905 1.00 73.03 H new ATOM 0 HE2 LYS A 51 19.343 -63.510 -29.407 1.00 54.12 H new ATOM 0 HE3 LYS A 51 20.340 -64.948 -29.320 1.00 54.12 H new ATOM 0 HZ1 LYS A 51 21.279 -63.321 -30.827 1.00 1.04 H new ATOM 0 HZ2 LYS A 51 20.833 -64.717 -31.686 1.00 1.04 H new ATOM 0 HZ3 LYS A 51 19.867 -63.323 -31.770 1.00 1.04 H new ATOM 867 N VAL A 52 19.723 -69.574 -27.198 1.00 34.12 N ATOM 868 CA VAL A 52 20.549 -70.775 -27.166 1.00 33.15 C ATOM 869 C VAL A 52 20.579 -71.384 -25.768 1.00 42.21 C ATOM 870 O VAL A 52 21.603 -71.347 -25.084 1.00 72.14 O ATOM 871 CB VAL A 52 21.991 -70.476 -27.615 1.00 62.20 C ATOM 872 CG1 VAL A 52 22.048 -70.263 -29.120 1.00 4.10 C ATOM 873 CG2 VAL A 52 22.539 -69.265 -26.875 1.00 62.13 C ATOM 0 H VAL A 52 19.985 -68.864 -26.514 1.00 34.12 H new ATOM 0 HA VAL A 52 20.101 -71.486 -27.860 1.00 33.15 H new ATOM 0 HB VAL A 52 22.615 -71.335 -27.370 1.00 62.20 H new ATOM 0 HG11 VAL A 52 23.075 -70.053 -29.419 1.00 4.10 H new ATOM 0 HG12 VAL A 52 21.699 -71.162 -29.628 1.00 4.10 H new ATOM 0 HG13 VAL A 52 21.411 -69.421 -29.393 1.00 4.10 H new ATOM 0 HG21 VAL A 52 23.559 -69.068 -27.205 1.00 62.13 H new ATOM 0 HG22 VAL A 52 21.915 -68.396 -27.086 1.00 62.13 H new ATOM 0 HG23 VAL A 52 22.536 -69.462 -25.803 1.00 62.13 H new ATOM 883 N THR A 53 19.449 -71.945 -25.348 1.00 45.01 N ATOM 884 CA THR A 53 19.346 -72.562 -24.032 1.00 12.43 C ATOM 885 C THR A 53 19.810 -74.013 -24.066 1.00 72.24 C ATOM 886 O THR A 53 20.718 -74.403 -23.331 1.00 72.32 O ATOM 887 CB THR A 53 17.901 -72.509 -23.499 1.00 5.12 C ATOM 888 OG1 THR A 53 16.985 -72.333 -24.585 1.00 12.23 O ATOM 889 CG2 THR A 53 17.735 -71.375 -22.499 1.00 13.32 C ATOM 0 H THR A 53 18.593 -71.984 -25.901 1.00 45.01 H new ATOM 0 HA THR A 53 19.993 -71.993 -23.365 1.00 12.43 H new ATOM 0 HB THR A 53 17.688 -73.451 -22.994 1.00 5.12 H new ATOM 0 HG1 THR A 53 16.954 -71.386 -24.837 1.00 12.23 H new ATOM 0 HG21 THR A 53 16.707 -71.357 -22.136 1.00 13.32 H new ATOM 0 HG22 THR A 53 18.413 -71.528 -21.660 1.00 13.32 H new ATOM 0 HG23 THR A 53 17.965 -70.426 -22.983 1.00 13.32 H new ATOM 897 N LEU A 54 19.182 -74.810 -24.925 1.00 3.52 N ATOM 898 CA LEU A 54 19.532 -76.220 -25.056 1.00 51.22 C ATOM 899 C LEU A 54 20.426 -76.448 -26.271 1.00 22.35 C ATOM 900 O LEU A 54 20.772 -77.584 -26.594 1.00 22.11 O ATOM 901 CB LEU A 54 18.266 -77.070 -25.173 1.00 60.55 C ATOM 902 CG LEU A 54 17.655 -77.549 -23.856 1.00 74.12 C ATOM 903 CD1 LEU A 54 16.828 -76.443 -23.218 1.00 60.25 C ATOM 904 CD2 LEU A 54 16.804 -78.790 -24.083 1.00 33.20 C ATOM 0 H LEU A 54 18.429 -74.504 -25.540 1.00 3.52 H new ATOM 0 HA LEU A 54 20.081 -76.518 -24.163 1.00 51.22 H new ATOM 0 HB2 LEU A 54 17.514 -76.493 -25.711 1.00 60.55 H new ATOM 0 HB3 LEU A 54 18.494 -77.944 -25.783 1.00 60.55 H new ATOM 0 HG LEU A 54 18.465 -77.808 -23.175 1.00 74.12 H new ATOM 0 HD11 LEU A 54 16.401 -76.802 -22.282 1.00 60.25 H new ATOM 0 HD12 LEU A 54 17.465 -75.581 -23.019 1.00 60.25 H new ATOM 0 HD13 LEU A 54 16.025 -76.152 -23.895 1.00 60.25 H new ATOM 0 HD21 LEU A 54 16.377 -79.117 -23.135 1.00 33.20 H new ATOM 0 HD22 LEU A 54 16.000 -78.557 -24.782 1.00 33.20 H new ATOM 0 HD23 LEU A 54 17.424 -79.586 -24.495 1.00 33.20 H new ATOM 916 N ALA A 55 20.799 -75.361 -26.938 1.00 15.12 N ATOM 917 CA ALA A 55 21.656 -75.442 -28.114 1.00 21.44 C ATOM 918 C ALA A 55 22.931 -76.222 -27.810 1.00 43.40 C ATOM 919 O ALA A 55 23.353 -77.070 -28.596 1.00 24.22 O ATOM 920 CB ALA A 55 21.995 -74.047 -28.617 1.00 60.33 C ATOM 0 H ALA A 55 20.521 -74.413 -26.684 1.00 15.12 H new ATOM 0 HA ALA A 55 21.112 -75.975 -28.894 1.00 21.44 H new ATOM 0 HB1 ALA A 55 22.636 -74.123 -29.496 1.00 60.33 H new ATOM 0 HB2 ALA A 55 21.077 -73.522 -28.881 1.00 60.33 H new ATOM 0 HB3 ALA A 55 22.516 -73.495 -27.835 1.00 60.33 H new ATOM 926 N ASP A 56 23.541 -75.927 -26.667 1.00 34.51 N ATOM 927 CA ASP A 56 24.768 -76.601 -26.259 1.00 62.14 C ATOM 928 C ASP A 56 24.492 -78.053 -25.883 1.00 31.41 C ATOM 929 O ASP A 56 25.343 -78.924 -26.062 1.00 11.00 O ATOM 930 CB ASP A 56 25.410 -75.869 -25.080 1.00 12.31 C ATOM 931 CG ASP A 56 25.601 -74.390 -25.352 1.00 3.41 C ATOM 932 OD1 ASP A 56 25.783 -74.022 -26.531 1.00 44.55 O ATOM 933 OD2 ASP A 56 25.568 -73.600 -24.385 1.00 43.13 O ATOM 0 H ASP A 56 23.206 -75.226 -26.007 1.00 34.51 H new ATOM 0 HA ASP A 56 25.457 -76.588 -27.103 1.00 62.14 H new ATOM 0 HB2 ASP A 56 24.787 -75.995 -24.195 1.00 12.31 H new ATOM 0 HB3 ASP A 56 26.376 -76.322 -24.857 1.00 12.31 H new ATOM 938 N ALA A 57 23.297 -78.307 -25.360 1.00 12.55 N ATOM 939 CA ALA A 57 22.908 -79.653 -24.959 1.00 0.14 C ATOM 940 C ALA A 57 22.830 -80.584 -26.164 1.00 2.30 C ATOM 941 O ALA A 57 22.976 -81.798 -26.033 1.00 74.31 O ATOM 942 CB ALA A 57 21.574 -79.621 -24.227 1.00 24.32 C ATOM 0 H ALA A 57 22.581 -77.597 -25.204 1.00 12.55 H new ATOM 0 HA ALA A 57 23.671 -80.039 -24.284 1.00 0.14 H new ATOM 0 HB1 ALA A 57 21.296 -80.633 -23.933 1.00 24.32 H new ATOM 0 HB2 ALA A 57 21.662 -78.996 -23.338 1.00 24.32 H new ATOM 0 HB3 ALA A 57 20.808 -79.210 -24.885 1.00 24.32 H new ATOM 948 N GLY A 58 22.599 -80.005 -27.339 1.00 21.42 N ATOM 949 CA GLY A 58 22.505 -80.799 -28.550 1.00 41.44 C ATOM 950 C GLY A 58 23.810 -81.490 -28.893 1.00 73.23 C ATOM 951 O GLY A 58 23.819 -82.499 -29.600 1.00 2.45 O ATOM 0 H GLY A 58 22.475 -79.001 -27.473 1.00 21.42 H new ATOM 0 HA2 GLY A 58 21.722 -81.547 -28.430 1.00 41.44 H new ATOM 0 HA3 GLY A 58 22.208 -80.157 -29.380 1.00 41.44 H new ATOM 955 N PHE A 59 24.915 -80.947 -28.394 1.00 13.32 N ATOM 956 CA PHE A 59 26.232 -81.517 -28.654 1.00 13.55 C ATOM 957 C PHE A 59 26.405 -82.843 -27.920 1.00 35.31 C ATOM 958 O PHE A 59 26.906 -83.815 -28.484 1.00 23.44 O ATOM 959 CB PHE A 59 27.328 -80.538 -28.226 1.00 55.01 C ATOM 960 CG PHE A 59 27.631 -79.490 -29.258 1.00 40.31 C ATOM 961 CD1 PHE A 59 26.728 -78.471 -29.517 1.00 31.41 C ATOM 962 CD2 PHE A 59 28.819 -79.523 -29.970 1.00 23.20 C ATOM 963 CE1 PHE A 59 27.004 -77.505 -30.466 1.00 2.13 C ATOM 964 CE2 PHE A 59 29.101 -78.559 -30.920 1.00 23.44 C ATOM 965 CZ PHE A 59 28.192 -77.550 -31.169 1.00 2.24 C ATOM 0 H PHE A 59 24.925 -80.113 -27.807 1.00 13.32 H new ATOM 0 HA PHE A 59 26.316 -81.701 -29.725 1.00 13.55 H new ATOM 0 HB2 PHE A 59 27.026 -80.048 -27.300 1.00 55.01 H new ATOM 0 HB3 PHE A 59 28.238 -81.096 -28.009 1.00 55.01 H new ATOM 0 HD1 PHE A 59 25.797 -78.431 -28.971 1.00 31.41 H new ATOM 0 HD2 PHE A 59 29.533 -80.311 -29.781 1.00 23.20 H new ATOM 0 HE1 PHE A 59 26.292 -76.716 -30.658 1.00 2.13 H new ATOM 0 HE2 PHE A 59 30.032 -78.595 -31.467 1.00 23.44 H new ATOM 0 HZ PHE A 59 28.410 -76.797 -31.912 1.00 2.24 H new ATOM 975 N MET A 60 25.986 -82.874 -26.659 1.00 73.30 N ATOM 976 CA MET A 60 26.093 -84.081 -25.848 1.00 24.41 C ATOM 977 C MET A 60 25.129 -85.156 -26.341 1.00 42.40 C ATOM 978 O MET A 60 25.364 -86.349 -26.153 1.00 22.43 O ATOM 979 CB MET A 60 25.811 -83.761 -24.379 1.00 34.32 C ATOM 980 CG MET A 60 27.023 -83.235 -23.627 1.00 74.23 C ATOM 981 SD MET A 60 28.035 -84.555 -22.931 1.00 12.01 S ATOM 982 CE MET A 60 29.325 -83.605 -22.130 1.00 63.33 C ATOM 0 H MET A 60 25.569 -82.077 -26.177 1.00 73.30 H new ATOM 0 HA MET A 60 27.110 -84.461 -25.941 1.00 24.41 H new ATOM 0 HB2 MET A 60 25.011 -83.023 -24.324 1.00 34.32 H new ATOM 0 HB3 MET A 60 25.449 -84.661 -23.883 1.00 34.32 H new ATOM 0 HG2 MET A 60 27.632 -82.633 -24.302 1.00 74.23 H new ATOM 0 HG3 MET A 60 26.690 -82.576 -22.825 1.00 74.23 H new ATOM 0 HE1 MET A 60 30.032 -84.283 -21.652 1.00 63.33 H new ATOM 0 HE2 MET A 60 29.847 -83.001 -22.873 1.00 63.33 H new ATOM 0 HE3 MET A 60 28.882 -82.952 -21.378 1.00 63.33 H new ATOM 992 N LYS A 61 24.043 -84.724 -26.973 1.00 71.31 N ATOM 993 CA LYS A 61 23.043 -85.648 -27.495 1.00 31.44 C ATOM 994 C LYS A 61 23.620 -86.492 -28.627 1.00 31.44 C ATOM 995 O LYS A 61 23.185 -87.621 -28.854 1.00 63.10 O ATOM 996 CB LYS A 61 21.817 -84.879 -27.992 1.00 3.43 C ATOM 997 CG LYS A 61 20.738 -84.706 -26.937 1.00 5.44 C ATOM 998 CD LYS A 61 19.672 -85.782 -27.048 1.00 21.33 C ATOM 999 CE LYS A 61 19.985 -86.971 -26.152 1.00 14.14 C ATOM 1000 NZ LYS A 61 19.867 -86.623 -24.708 1.00 71.53 N ATOM 0 H LYS A 61 23.833 -83.739 -27.136 1.00 71.31 H new ATOM 0 HA LYS A 61 22.743 -86.314 -26.686 1.00 31.44 H new ATOM 0 HB2 LYS A 61 22.132 -83.896 -28.342 1.00 3.43 H new ATOM 0 HB3 LYS A 61 21.394 -85.402 -28.850 1.00 3.43 H new ATOM 0 HG2 LYS A 61 21.189 -84.740 -25.945 1.00 5.44 H new ATOM 0 HG3 LYS A 61 20.277 -83.724 -27.044 1.00 5.44 H new ATOM 0 HD2 LYS A 61 18.703 -85.365 -26.775 1.00 21.33 H new ATOM 0 HD3 LYS A 61 19.596 -86.115 -28.083 1.00 21.33 H new ATOM 0 HE2 LYS A 61 19.305 -87.790 -26.385 1.00 14.14 H new ATOM 0 HE3 LYS A 61 20.995 -87.326 -26.359 1.00 14.14 H new ATOM 0 HZ1 LYS A 61 19.699 -87.488 -24.155 1.00 71.53 H new ATOM 0 HZ2 LYS A 61 20.747 -86.172 -24.386 1.00 71.53 H new ATOM 0 HZ3 LYS A 61 19.072 -85.966 -24.573 1.00 71.53 H new ATOM 1014 N GLN A 62 24.601 -85.938 -29.331 1.00 70.02 N ATOM 1015 CA GLN A 62 25.237 -86.641 -30.439 1.00 21.42 C ATOM 1016 C GLN A 62 25.942 -87.902 -29.950 1.00 32.42 C ATOM 1017 O GLN A 62 26.051 -88.888 -30.680 1.00 55.32 O ATOM 1018 CB GLN A 62 26.238 -85.725 -31.145 1.00 52.01 C ATOM 1019 CG GLN A 62 25.588 -84.552 -31.861 1.00 1.32 C ATOM 1020 CD GLN A 62 24.961 -84.949 -33.182 1.00 71.25 C ATOM 1021 OE1 GLN A 62 25.529 -84.712 -34.249 1.00 23.22 O ATOM 1022 NE2 GLN A 62 23.782 -85.558 -33.119 1.00 43.35 N ATOM 0 H GLN A 62 24.973 -85.005 -29.154 1.00 70.02 H new ATOM 0 HA GLN A 62 24.460 -86.931 -31.146 1.00 21.42 H new ATOM 0 HB2 GLN A 62 26.949 -85.344 -30.412 1.00 52.01 H new ATOM 0 HB3 GLN A 62 26.807 -86.310 -31.867 1.00 52.01 H new ATOM 0 HG2 GLN A 62 24.824 -84.117 -31.217 1.00 1.32 H new ATOM 0 HG3 GLN A 62 26.336 -83.779 -32.036 1.00 1.32 H new ATOM 0 HE21 GLN A 62 23.347 -85.735 -32.213 1.00 43.35 H new ATOM 0 HE22 GLN A 62 23.312 -85.849 -33.976 1.00 43.35 H new ATOM 1031 N TYR A 63 26.419 -87.865 -28.711 1.00 1.42 N ATOM 1032 CA TYR A 63 27.116 -89.003 -28.125 1.00 62.51 C ATOM 1033 C TYR A 63 26.203 -90.223 -28.054 1.00 33.32 C ATOM 1034 O TYR A 63 26.666 -91.363 -28.086 1.00 13.33 O ATOM 1035 CB TYR A 63 27.626 -88.652 -26.727 1.00 1.14 C ATOM 1036 CG TYR A 63 28.267 -89.816 -26.005 1.00 75.21 C ATOM 1037 CD1 TYR A 63 27.781 -90.249 -24.777 1.00 65.31 C ATOM 1038 CD2 TYR A 63 29.357 -90.482 -26.551 1.00 31.45 C ATOM 1039 CE1 TYR A 63 28.364 -91.312 -24.114 1.00 34.22 C ATOM 1040 CE2 TYR A 63 29.944 -91.547 -25.895 1.00 64.01 C ATOM 1041 CZ TYR A 63 29.444 -91.958 -24.677 1.00 64.01 C ATOM 1042 OH TYR A 63 30.028 -93.017 -24.020 1.00 72.23 O ATOM 0 H TYR A 63 26.335 -87.058 -28.093 1.00 1.42 H new ATOM 0 HA TYR A 63 27.966 -89.244 -28.764 1.00 62.51 H new ATOM 0 HB2 TYR A 63 28.351 -87.842 -26.807 1.00 1.14 H new ATOM 0 HB3 TYR A 63 26.794 -88.278 -26.129 1.00 1.14 H new ATOM 0 HD1 TYR A 63 26.934 -89.747 -24.334 1.00 65.31 H new ATOM 0 HD2 TYR A 63 29.752 -90.162 -27.504 1.00 31.45 H new ATOM 0 HE1 TYR A 63 27.976 -91.635 -23.160 1.00 34.22 H new ATOM 0 HE2 TYR A 63 30.790 -92.055 -26.334 1.00 64.01 H new ATOM 0 HH TYR A 63 30.776 -93.360 -24.553 1.00 72.23 H new ATOM 1052 N GLY A 64 24.900 -89.974 -27.957 1.00 60.45 N ATOM 1053 CA GLY A 64 23.941 -91.061 -27.884 1.00 13.34 C ATOM 1054 C GLY A 64 24.111 -92.062 -29.009 1.00 13.10 C ATOM 1055 O GLY A 64 23.792 -93.240 -28.853 1.00 14.01 O ATOM 0 H GLY A 64 24.492 -89.040 -27.928 1.00 60.45 H new ATOM 0 HA2 GLY A 64 24.049 -91.573 -26.928 1.00 13.34 H new ATOM 0 HA3 GLY A 64 22.931 -90.653 -27.915 1.00 13.34 H new ATOM 1059 N GLU A 65 24.613 -91.592 -30.146 1.00 44.14 N ATOM 1060 CA GLU A 65 24.822 -92.455 -31.303 1.00 22.11 C ATOM 1061 C GLU A 65 26.185 -92.194 -31.938 1.00 10.31 C ATOM 1062 O GLU A 65 26.862 -91.223 -31.600 1.00 20.41 O ATOM 1063 CB GLU A 65 23.715 -92.237 -32.337 1.00 4.04 C ATOM 1064 CG GLU A 65 23.424 -93.464 -33.184 1.00 53.11 C ATOM 1065 CD GLU A 65 22.545 -94.472 -32.469 1.00 4.23 C ATOM 1066 OE1 GLU A 65 22.730 -94.657 -31.247 1.00 54.13 O ATOM 1067 OE2 GLU A 65 21.675 -95.075 -33.129 1.00 73.53 O ATOM 0 H GLU A 65 24.883 -90.619 -30.291 1.00 44.14 H new ATOM 0 HA GLU A 65 24.792 -93.490 -30.962 1.00 22.11 H new ATOM 0 HB2 GLU A 65 22.802 -91.936 -31.822 1.00 4.04 H new ATOM 0 HB3 GLU A 65 23.998 -91.413 -32.992 1.00 4.04 H new ATOM 0 HG2 GLU A 65 22.937 -93.155 -34.109 1.00 53.11 H new ATOM 0 HG3 GLU A 65 24.364 -93.940 -33.462 1.00 53.11 H new TER 1074 GLU A 65