USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 : amide:sc= 0.582 K(o=0.42,f=-3.9) USER MOD Set 1.2: A 37 MET CE :methyl -176:sc= -0.167 (180deg=-0.148) USER MOD Single : A 9 SER OG : rot -100:sc= 0.00709 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.58! C(o=-4!,f=-2.6!) USER MOD Single : A 11 THR OG1 : rot 50:sc= 0.275 USER MOD Single : A 23 GLN : amide:sc= -0.414 K(o=-0.41,f=-5.7!) 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 :FLIP amide:sc=-0.00521 F(o=-0.56,f=-0.0052) USER MOD Single : A 56 SER OG : rot -84:sc= 0.504 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) 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 : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 78 TYR OH : rot 40:sc= -1.88! USER MOD Single : A 79 SER OG : rot 150:sc= -0.607 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.395 -11.326 0.623 1.00 0.00 N ATOM 17 CA LEU A 8 8.982 -12.640 0.864 1.00 0.00 C ATOM 18 C LEU A 8 10.459 -12.654 0.485 1.00 0.00 C ATOM 19 O LEU A 8 10.967 -11.703 -0.109 1.00 0.00 O ATOM 20 CB LEU A 8 8.230 -13.710 0.070 1.00 0.00 C ATOM 21 CG LEU A 8 8.089 -13.456 -1.431 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.340 -13.908 -2.168 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.859 -14.166 -1.978 1.00 0.00 C ATOM 0 HA LEU A 8 8.897 -12.859 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.739 -14.663 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.232 -13.816 0.496 1.00 0.00 H new ATOM 0 HG LEU A 8 7.966 -12.385 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.222 -13.720 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.202 -13.355 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.494 -14.974 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.774 -13.974 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.952 -15.239 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.969 -13.794 -1.471 1.00 0.00 H new ATOM 35 N SER A 9 11.143 -13.740 0.831 1.00 0.00 N ATOM 36 CA SER A 9 12.563 -13.877 0.528 1.00 0.00 C ATOM 37 C SER A 9 12.779 -14.821 -0.651 1.00 0.00 C ATOM 38 O SER A 9 11.832 -15.415 -1.165 1.00 0.00 O ATOM 39 CB SER A 9 13.320 -14.393 1.754 1.00 0.00 C ATOM 40 OG SER A 9 13.643 -13.334 2.637 1.00 0.00 O ATOM 0 H SER A 9 10.737 -14.537 1.321 1.00 0.00 H new ATOM 0 HA SER A 9 12.948 -12.894 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.713 -15.133 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.233 -14.897 1.436 1.00 0.00 H new ATOM 0 HG SER A 9 14.578 -13.072 2.506 1.00 0.00 H new ATOM 46 N ASN A 10 14.032 -14.954 -1.073 1.00 0.00 N ATOM 47 CA ASN A 10 14.373 -15.824 -2.192 1.00 0.00 C ATOM 48 C ASN A 10 14.602 -17.256 -1.717 1.00 0.00 C ATOM 49 O ASN A 10 14.025 -18.201 -2.256 1.00 0.00 O ATOM 50 CB ASN A 10 15.623 -15.306 -2.907 1.00 0.00 C ATOM 51 CG ASN A 10 15.638 -15.665 -4.380 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.629 -16.449 -4.788 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.768 -15.243 -5.142 1.00 0.00 N flip ATOM 0 H ASN A 10 14.828 -14.470 -0.657 1.00 0.00 H new ATOM 0 HA ASN A 10 13.536 -15.820 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.677 -14.223 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.510 -15.718 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.025 -14.643 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.791 -15.494 -6.130 1.00 0.00 H new ATOM 60 N THR A 11 15.449 -17.409 -0.704 1.00 0.00 N ATOM 61 CA THR A 11 15.756 -18.724 -0.156 1.00 0.00 C ATOM 62 C THR A 11 15.637 -18.728 1.364 1.00 0.00 C ATOM 63 O THR A 11 16.602 -18.440 2.072 1.00 0.00 O ATOM 64 CB THR A 11 17.173 -19.180 -0.550 1.00 0.00 C ATOM 65 OG1 THR A 11 18.115 -18.134 -0.289 1.00 0.00 O ATOM 66 CG2 THR A 11 17.229 -19.564 -2.021 1.00 0.00 C ATOM 0 H THR A 11 15.935 -16.638 -0.246 1.00 0.00 H new ATOM 0 HA THR A 11 15.029 -19.419 -0.576 1.00 0.00 H new ATOM 0 HB THR A 11 17.428 -20.055 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.990 -17.802 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.240 -19.883 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.532 -20.381 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.955 -18.704 -2.632 1.00 0.00 H new ATOM 74 N ARG A 12 14.449 -19.058 1.859 1.00 0.00 N ATOM 75 CA ARG A 12 14.204 -19.099 3.295 1.00 0.00 C ATOM 76 C ARG A 12 12.758 -19.488 3.590 1.00 0.00 C ATOM 77 O ARG A 12 11.826 -18.760 3.247 1.00 0.00 O ATOM 78 CB ARG A 12 14.517 -17.741 3.926 1.00 0.00 C ATOM 79 CG ARG A 12 15.310 -17.838 5.219 1.00 0.00 C ATOM 80 CD ARG A 12 16.322 -16.709 5.338 1.00 0.00 C ATOM 81 NE ARG A 12 15.715 -15.403 5.095 1.00 0.00 N ATOM 82 CZ ARG A 12 16.401 -14.265 5.081 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.709 -14.273 5.296 1.00 0.00 N ATOM 84 NH2 ARG A 12 15.777 -13.116 4.853 1.00 0.00 N ATOM 0 H ARG A 12 13.641 -19.301 1.286 1.00 0.00 H new ATOM 0 HA ARG A 12 14.860 -19.854 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.077 -17.138 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.582 -17.217 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.628 -17.808 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.827 -18.797 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.766 -16.723 6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.131 -16.871 4.626 1.00 0.00 H new ATOM 0 HE ARG A 12 14.710 -15.362 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.191 -15.154 5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.233 -13.398 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.770 -13.106 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.304 -12.243 4.842 1.00 0.00 H new ATOM 98 N LEU A 13 12.579 -20.640 4.227 1.00 0.00 N ATOM 99 CA LEU A 13 11.247 -21.127 4.567 1.00 0.00 C ATOM 100 C LEU A 13 11.108 -21.323 6.074 1.00 0.00 C ATOM 101 O LEU A 13 11.872 -22.069 6.686 1.00 0.00 O ATOM 102 CB LEU A 13 10.962 -22.442 3.841 1.00 0.00 C ATOM 103 CG LEU A 13 11.830 -22.735 2.617 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.518 -24.115 2.059 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.626 -21.668 1.551 1.00 0.00 C ATOM 0 H LEU A 13 13.340 -21.254 4.518 1.00 0.00 H new ATOM 0 HA LEU A 13 10.521 -20.379 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.083 -23.260 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.918 -22.443 3.529 1.00 0.00 H new ATOM 0 HG LEU A 13 12.876 -22.718 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.145 -24.306 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.716 -24.869 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.469 -24.161 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.252 -21.893 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.579 -21.653 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.901 -20.693 1.954 1.00 0.00 H new ATOM 117 N PHE A 14 10.126 -20.651 6.665 1.00 0.00 N ATOM 118 CA PHE A 14 9.885 -20.753 8.099 1.00 0.00 C ATOM 119 C PHE A 14 8.841 -21.824 8.401 1.00 0.00 C ATOM 120 O PHE A 14 7.709 -21.756 7.921 1.00 0.00 O ATOM 121 CB PHE A 14 9.425 -19.405 8.658 1.00 0.00 C ATOM 122 CG PHE A 14 8.311 -19.519 9.659 1.00 0.00 C ATOM 123 CD1 PHE A 14 8.562 -19.969 10.946 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.014 -19.177 9.314 1.00 0.00 C ATOM 125 CE1 PHE A 14 7.539 -20.076 11.869 1.00 0.00 C ATOM 126 CE2 PHE A 14 5.987 -19.281 10.233 1.00 0.00 C ATOM 127 CZ PHE A 14 6.250 -19.730 11.512 1.00 0.00 C ATOM 0 H PHE A 14 9.484 -20.030 6.173 1.00 0.00 H new ATOM 0 HA PHE A 14 10.821 -21.038 8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.274 -18.906 9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.098 -18.771 7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.568 -20.239 11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.803 -18.825 8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.747 -20.430 12.868 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.980 -19.011 9.951 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.449 -19.811 12.232 1.00 0.00 H new ATOM 137 N VAL A 15 9.230 -22.813 9.199 1.00 0.00 N ATOM 138 CA VAL A 15 8.329 -23.899 9.566 1.00 0.00 C ATOM 139 C VAL A 15 7.753 -23.687 10.962 1.00 0.00 C ATOM 140 O VAL A 15 8.216 -22.828 11.712 1.00 0.00 O ATOM 141 CB VAL A 15 9.044 -25.262 9.520 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.050 -26.378 9.237 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.152 -25.247 8.477 1.00 0.00 C ATOM 0 H VAL A 15 10.163 -22.885 9.604 1.00 0.00 H new ATOM 0 HA VAL A 15 7.519 -23.898 8.837 1.00 0.00 H new ATOM 0 HB VAL A 15 9.495 -25.449 10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.574 -27.333 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.296 -26.401 10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.567 -26.200 8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.647 -26.218 8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.725 -25.038 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.879 -24.474 8.729 1.00 0.00 H new ATOM 153 N ARG A 16 6.740 -24.477 11.304 1.00 0.00 N ATOM 154 CA ARG A 16 6.099 -24.376 12.610 1.00 0.00 C ATOM 155 C ARG A 16 6.958 -25.030 13.688 1.00 0.00 C ATOM 156 O ARG A 16 7.940 -25.715 13.404 1.00 0.00 O ATOM 157 CB ARG A 16 4.717 -25.030 12.576 1.00 0.00 C ATOM 158 CG ARG A 16 3.572 -24.033 12.512 1.00 0.00 C ATOM 159 CD ARG A 16 2.223 -24.725 12.628 1.00 0.00 C ATOM 160 NE ARG A 16 1.119 -23.835 12.278 1.00 0.00 N ATOM 161 CZ ARG A 16 0.706 -22.839 13.053 1.00 0.00 C ATOM 162 NH1 ARG A 16 1.301 -22.606 14.214 1.00 0.00 N ATOM 163 NH2 ARG A 16 -0.306 -22.072 12.666 1.00 0.00 N ATOM 0 H ARG A 16 6.346 -25.194 10.695 1.00 0.00 H new ATOM 0 HA ARG A 16 5.986 -23.319 12.851 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.659 -25.692 11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.597 -25.652 13.463 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.678 -23.304 13.315 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.620 -23.482 11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.206 -25.598 11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.088 -25.087 13.647 1.00 0.00 H new ATOM 0 HE ARG A 16 0.640 -23.987 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.079 -23.193 14.515 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.981 -21.840 14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.767 -22.248 11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.623 -21.307 13.262 1.00 0.00 H new ATOM 177 N PRO A 17 6.580 -24.815 14.957 1.00 0.00 N ATOM 178 CA PRO A 17 7.301 -25.375 16.104 1.00 0.00 C ATOM 179 C PRO A 17 7.138 -26.887 16.209 1.00 0.00 C ATOM 180 O PRO A 17 6.021 -27.396 16.305 1.00 0.00 O ATOM 181 CB PRO A 17 6.650 -24.683 17.304 1.00 0.00 C ATOM 182 CG PRO A 17 5.285 -24.316 16.836 1.00 0.00 C ATOM 183 CD PRO A 17 5.418 -24.009 15.370 1.00 0.00 C ATOM 0 HA PRO A 17 8.376 -25.209 16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.607 -25.346 18.168 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.215 -23.801 17.607 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.583 -25.133 17.001 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.904 -23.453 17.382 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.520 -24.286 14.818 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.584 -22.946 15.195 1.00 0.00 H new ATOM 191 N PHE A 18 8.259 -27.601 16.190 1.00 0.00 N ATOM 192 CA PHE A 18 8.240 -29.056 16.282 1.00 0.00 C ATOM 193 C PHE A 18 8.402 -29.511 17.730 1.00 0.00 C ATOM 194 O PHE A 18 8.912 -28.784 18.582 1.00 0.00 O ATOM 195 CB PHE A 18 9.351 -29.658 15.419 1.00 0.00 C ATOM 196 CG PHE A 18 9.172 -29.404 13.950 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.655 -28.242 13.369 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.521 -30.328 13.148 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.492 -28.007 12.017 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.355 -30.098 11.796 1.00 0.00 C ATOM 201 CZ PHE A 18 8.841 -28.935 11.230 1.00 0.00 C ATOM 0 H PHE A 18 9.192 -27.195 16.112 1.00 0.00 H new ATOM 0 HA PHE A 18 7.275 -29.406 15.915 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.310 -29.248 15.736 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.392 -30.733 15.591 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.165 -27.512 13.980 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.139 -31.239 13.585 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.874 -27.098 11.577 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.846 -30.826 11.182 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.712 -28.753 10.173 1.00 0.00 H new ATOM 211 N PRO A 19 7.958 -30.744 18.015 1.00 0.00 N ATOM 212 CA PRO A 19 8.042 -31.325 19.358 1.00 0.00 C ATOM 213 C PRO A 19 9.478 -31.642 19.764 1.00 0.00 C ATOM 214 O PRO A 19 10.428 -31.120 19.180 1.00 0.00 O ATOM 215 CB PRO A 19 7.223 -32.612 19.240 1.00 0.00 C ATOM 216 CG PRO A 19 7.285 -32.970 17.796 1.00 0.00 C ATOM 217 CD PRO A 19 7.339 -31.666 17.048 1.00 0.00 C ATOM 0 HA PRO A 19 7.676 -30.639 20.122 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.639 -33.404 19.862 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.194 -32.458 19.566 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.163 -33.579 17.582 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.413 -33.553 17.501 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.931 -31.750 16.137 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.345 -31.331 16.753 1.00 0.00 H new ATOM 225 N LEU A 20 9.628 -32.502 20.766 1.00 0.00 N ATOM 226 CA LEU A 20 10.949 -32.890 21.249 1.00 0.00 C ATOM 227 C LEU A 20 11.821 -33.395 20.104 1.00 0.00 C ATOM 228 O LEU A 20 13.047 -33.426 20.211 1.00 0.00 O ATOM 229 CB LEU A 20 10.823 -33.970 22.324 1.00 0.00 C ATOM 230 CG LEU A 20 10.196 -35.291 21.878 1.00 0.00 C ATOM 231 CD1 LEU A 20 11.273 -36.273 21.442 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.352 -35.885 22.996 1.00 0.00 C ATOM 0 H LEU A 20 8.852 -32.943 21.259 1.00 0.00 H new ATOM 0 HA LEU A 20 11.424 -32.009 21.681 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.817 -34.178 22.720 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.230 -33.569 23.146 1.00 0.00 H new ATOM 0 HG LEU A 20 9.547 -35.093 21.025 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.808 -37.207 21.128 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.836 -35.850 20.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.948 -36.466 22.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.913 -36.825 22.661 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.980 -36.068 23.868 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.557 -35.188 23.261 1.00 0.00 H new ATOM 244 N ASP A 21 11.180 -33.789 19.008 1.00 0.00 N ATOM 245 CA ASP A 21 11.897 -34.290 17.842 1.00 0.00 C ATOM 246 C ASP A 21 12.271 -33.148 16.902 1.00 0.00 C ATOM 247 O ASP A 21 12.482 -33.357 15.707 1.00 0.00 O ATOM 248 CB ASP A 21 11.047 -35.321 17.098 1.00 0.00 C ATOM 249 CG ASP A 21 10.926 -36.627 17.858 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.805 -37.498 17.686 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.953 -36.779 18.625 1.00 0.00 O ATOM 0 H ASP A 21 10.166 -33.771 18.904 1.00 0.00 H new ATOM 0 HA ASP A 21 12.814 -34.768 18.188 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.052 -34.911 16.925 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.487 -35.513 16.119 1.00 0.00 H new ATOM 256 N VAL A 22 12.349 -31.939 17.449 1.00 0.00 N ATOM 257 CA VAL A 22 12.697 -30.763 16.660 1.00 0.00 C ATOM 258 C VAL A 22 14.195 -30.711 16.383 1.00 0.00 C ATOM 259 O VAL A 22 14.965 -30.177 17.182 1.00 0.00 O ATOM 260 CB VAL A 22 12.272 -29.464 17.370 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.805 -29.435 18.794 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.748 -28.250 16.589 1.00 0.00 C ATOM 0 H VAL A 22 12.176 -31.748 18.436 1.00 0.00 H new ATOM 0 HA VAL A 22 12.158 -30.845 15.716 1.00 0.00 H new ATOM 0 HB VAL A 22 11.183 -29.434 17.415 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.495 -28.510 19.280 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.409 -30.286 19.348 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.894 -29.488 18.776 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.439 -27.341 17.105 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.835 -28.271 16.511 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.312 -28.266 15.590 1.00 0.00 H new ATOM 272 N GLN A 23 14.602 -31.268 15.247 1.00 0.00 N ATOM 273 CA GLN A 23 16.009 -31.285 14.865 1.00 0.00 C ATOM 274 C GLN A 23 16.163 -31.202 13.350 1.00 0.00 C ATOM 275 O GLN A 23 15.183 -31.297 12.612 1.00 0.00 O ATOM 276 CB GLN A 23 16.686 -32.552 15.390 1.00 0.00 C ATOM 277 CG GLN A 23 16.021 -33.836 14.923 1.00 0.00 C ATOM 278 CD GLN A 23 16.496 -35.053 15.692 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.919 -36.048 15.103 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.429 -34.980 17.016 1.00 0.00 N ATOM 0 H GLN A 23 13.977 -31.714 14.575 1.00 0.00 H new ATOM 0 HA GLN A 23 16.491 -30.414 15.309 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.728 -32.556 15.071 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.686 -32.529 16.480 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.941 -33.741 15.032 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.223 -33.980 13.862 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.072 -34.136 17.463 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.735 -35.768 17.586 1.00 0.00 H new ATOM 289 N GLU A 24 17.399 -31.025 12.894 1.00 0.00 N ATOM 290 CA GLU A 24 17.680 -30.929 11.467 1.00 0.00 C ATOM 291 C GLU A 24 17.437 -32.266 10.773 1.00 0.00 C ATOM 292 O GLU A 24 17.262 -32.324 9.556 1.00 0.00 O ATOM 293 CB GLU A 24 19.124 -30.478 11.238 1.00 0.00 C ATOM 294 CG GLU A 24 20.158 -31.444 11.791 1.00 0.00 C ATOM 295 CD GLU A 24 21.551 -31.178 11.254 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.838 -31.604 10.115 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.353 -30.544 11.971 1.00 0.00 O ATOM 0 H GLU A 24 18.221 -30.945 13.492 1.00 0.00 H new ATOM 0 HA GLU A 24 17.004 -30.189 11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.291 -30.353 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.268 -29.501 11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.172 -31.372 12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.866 -32.464 11.543 1.00 0.00 H new ATOM 304 N SER A 25 17.428 -33.340 11.557 1.00 0.00 N ATOM 305 CA SER A 25 17.211 -34.678 11.018 1.00 0.00 C ATOM 306 C SER A 25 15.891 -34.750 10.258 1.00 0.00 C ATOM 307 O SER A 25 15.841 -35.228 9.125 1.00 0.00 O ATOM 308 CB SER A 25 17.220 -35.712 12.146 1.00 0.00 C ATOM 309 OG SER A 25 17.501 -37.008 11.647 1.00 0.00 O ATOM 0 H SER A 25 17.568 -33.310 12.567 1.00 0.00 H new ATOM 0 HA SER A 25 18.022 -34.900 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.966 -35.436 12.891 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.253 -35.714 12.649 1.00 0.00 H new ATOM 0 HG SER A 25 17.503 -37.650 12.387 1.00 0.00 H new ATOM 315 N GLU A 26 14.824 -34.271 10.890 1.00 0.00 N ATOM 316 CA GLU A 26 13.503 -34.282 10.273 1.00 0.00 C ATOM 317 C GLU A 26 13.428 -33.275 9.129 1.00 0.00 C ATOM 318 O GLU A 26 12.785 -33.524 8.108 1.00 0.00 O ATOM 319 CB GLU A 26 12.427 -33.967 11.314 1.00 0.00 C ATOM 320 CG GLU A 26 12.743 -32.752 12.169 1.00 0.00 C ATOM 321 CD GLU A 26 11.496 -32.057 12.681 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.939 -32.514 13.701 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.078 -31.057 12.062 1.00 0.00 O ATOM 0 H GLU A 26 14.849 -33.871 11.828 1.00 0.00 H new ATOM 0 HA GLU A 26 13.328 -35.279 9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.477 -33.805 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.297 -34.833 11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.357 -33.058 13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.334 -32.046 11.586 1.00 0.00 H new ATOM 330 N LEU A 27 14.090 -32.137 9.306 1.00 0.00 N ATOM 331 CA LEU A 27 14.099 -31.091 8.289 1.00 0.00 C ATOM 332 C LEU A 27 14.713 -31.600 6.989 1.00 0.00 C ATOM 333 O LEU A 27 14.212 -31.317 5.902 1.00 0.00 O ATOM 334 CB LEU A 27 14.876 -29.872 8.790 1.00 0.00 C ATOM 335 CG LEU A 27 14.351 -29.221 10.071 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.660 -27.732 10.078 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.855 -29.458 10.214 1.00 0.00 C ATOM 0 H LEU A 27 14.627 -31.915 10.144 1.00 0.00 H new ATOM 0 HA LEU A 27 13.067 -30.801 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.912 -30.169 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.882 -29.120 8.001 1.00 0.00 H new ATOM 0 HG LEU A 27 14.854 -29.679 10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.279 -27.286 10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.738 -27.584 10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.184 -27.258 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.498 -28.988 11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.335 -29.027 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.659 -30.529 10.255 1.00 0.00 H new ATOM 349 N ASN A 28 15.799 -32.355 7.110 1.00 0.00 N ATOM 350 CA ASN A 28 16.481 -32.906 5.945 1.00 0.00 C ATOM 351 C ASN A 28 15.706 -34.088 5.370 1.00 0.00 C ATOM 352 O ASN A 28 15.627 -34.258 4.154 1.00 0.00 O ATOM 353 CB ASN A 28 17.899 -33.344 6.316 1.00 0.00 C ATOM 354 CG ASN A 28 18.894 -32.201 6.245 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.481 -31.939 5.195 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.088 -31.515 7.366 1.00 0.00 N ATOM 0 H ASN A 28 16.226 -32.600 8.003 1.00 0.00 H new ATOM 0 HA ASN A 28 16.537 -32.126 5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.896 -33.758 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.217 -34.142 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.746 -30.735 7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.579 -31.768 8.213 1.00 0.00 H new ATOM 363 N GLU A 29 15.137 -34.902 6.254 1.00 0.00 N ATOM 364 CA GLU A 29 14.369 -36.068 5.834 1.00 0.00 C ATOM 365 C GLU A 29 13.037 -35.649 5.218 1.00 0.00 C ATOM 366 O GLU A 29 12.407 -36.420 4.493 1.00 0.00 O ATOM 367 CB GLU A 29 14.123 -37.000 7.023 1.00 0.00 C ATOM 368 CG GLU A 29 15.332 -37.839 7.398 1.00 0.00 C ATOM 369 CD GLU A 29 14.950 -39.206 7.934 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.000 -39.281 8.741 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.601 -40.199 7.547 1.00 0.00 O ATOM 0 H GLU A 29 15.193 -34.775 7.265 1.00 0.00 H new ATOM 0 HA GLU A 29 14.948 -36.600 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.823 -36.404 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.290 -37.663 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.970 -37.961 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.918 -37.309 8.149 1.00 0.00 H new ATOM 378 N ILE A 30 12.615 -34.425 5.513 1.00 0.00 N ATOM 379 CA ILE A 30 11.359 -33.903 4.988 1.00 0.00 C ATOM 380 C ILE A 30 11.600 -32.997 3.785 1.00 0.00 C ATOM 381 O ILE A 30 11.040 -33.214 2.710 1.00 0.00 O ATOM 382 CB ILE A 30 10.583 -33.117 6.061 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.129 -34.054 7.182 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.389 -32.408 5.439 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.808 -33.338 8.475 1.00 0.00 C ATOM 0 H ILE A 30 13.124 -33.776 6.113 1.00 0.00 H new ATOM 0 HA ILE A 30 10.765 -34.763 4.679 1.00 0.00 H new ATOM 0 HB ILE A 30 11.245 -32.364 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.247 -34.602 6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.911 -34.790 7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.851 -31.857 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.736 -31.715 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.724 -33.144 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.493 -34.064 9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.694 -32.812 8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.005 -32.621 8.304 1.00 0.00 H new ATOM 397 N PHE A 31 12.437 -31.983 3.973 1.00 0.00 N ATOM 398 CA PHE A 31 12.754 -31.044 2.903 1.00 0.00 C ATOM 399 C PHE A 31 13.837 -31.607 1.988 1.00 0.00 C ATOM 400 O PHE A 31 14.245 -30.964 1.022 1.00 0.00 O ATOM 401 CB PHE A 31 13.209 -29.706 3.488 1.00 0.00 C ATOM 402 CG PHE A 31 12.131 -28.984 4.245 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.692 -29.457 5.471 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.557 -27.833 3.730 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.699 -28.795 6.169 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.564 -27.167 4.424 1.00 0.00 C ATOM 407 CZ PHE A 31 10.135 -27.648 5.645 1.00 0.00 C ATOM 0 H PHE A 31 12.909 -31.790 4.857 1.00 0.00 H new ATOM 0 HA PHE A 31 11.851 -30.886 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.055 -29.878 4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.564 -29.067 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.130 -30.353 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.889 -27.452 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.364 -29.174 7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.124 -26.271 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.360 -27.129 6.189 1.00 0.00 H new ATOM 417 N GLY A 32 14.299 -32.814 2.301 1.00 0.00 N ATOM 418 CA GLY A 32 15.331 -33.444 1.498 1.00 0.00 C ATOM 419 C GLY A 32 14.949 -33.542 0.035 1.00 0.00 C ATOM 420 O GLY A 32 15.623 -33.001 -0.843 1.00 0.00 O ATOM 0 H GLY A 32 13.977 -33.366 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.257 -32.876 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.530 -34.443 1.886 1.00 0.00 H new ATOM 424 N PRO A 33 13.844 -34.248 -0.246 1.00 0.00 N ATOM 425 CA PRO A 33 13.349 -34.433 -1.614 1.00 0.00 C ATOM 426 C PRO A 33 12.794 -33.143 -2.209 1.00 0.00 C ATOM 427 O PRO A 33 11.623 -33.072 -2.581 1.00 0.00 O ATOM 428 CB PRO A 33 12.234 -35.469 -1.451 1.00 0.00 C ATOM 429 CG PRO A 33 11.775 -35.313 -0.042 1.00 0.00 C ATOM 430 CD PRO A 33 12.992 -34.920 0.749 1.00 0.00 C ATOM 0 HA PRO A 33 14.141 -34.743 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.421 -35.290 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.601 -36.478 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.998 -34.552 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.348 -36.243 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.737 -34.255 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.488 -35.789 1.181 1.00 0.00 H new ATOM 438 N PHE A 34 13.643 -32.124 -2.296 1.00 0.00 N ATOM 439 CA PHE A 34 13.238 -30.836 -2.846 1.00 0.00 C ATOM 440 C PHE A 34 14.418 -30.132 -3.509 1.00 0.00 C ATOM 441 O PHE A 34 14.282 -29.548 -4.583 1.00 0.00 O ATOM 442 CB PHE A 34 12.654 -29.949 -1.745 1.00 0.00 C ATOM 443 CG PHE A 34 11.229 -30.280 -1.401 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.308 -30.556 -2.398 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.812 -30.314 -0.080 1.00 0.00 C ATOM 446 CE1 PHE A 34 8.997 -30.861 -2.085 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.502 -30.619 0.239 1.00 0.00 C ATOM 448 CZ PHE A 34 8.593 -30.891 -0.765 1.00 0.00 C ATOM 0 H PHE A 34 14.616 -32.166 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 34 12.474 -31.016 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.267 -30.045 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.711 -28.907 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.618 -30.533 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.518 -30.100 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.289 -31.076 -2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.189 -30.645 1.272 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.568 -31.127 -0.518 1.00 0.00 H new ATOM 458 N GLY A 35 15.577 -30.192 -2.860 1.00 0.00 N ATOM 459 CA GLY A 35 16.764 -29.556 -3.400 1.00 0.00 C ATOM 460 C GLY A 35 17.888 -29.471 -2.387 1.00 0.00 C ATOM 461 O GLY A 35 17.732 -29.837 -1.222 1.00 0.00 O ATOM 0 H GLY A 35 15.715 -30.670 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.106 -30.113 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.511 -28.553 -3.742 1.00 0.00 H new ATOM 465 N PRO A 36 19.054 -28.977 -2.831 1.00 0.00 N ATOM 466 CA PRO A 36 20.232 -28.834 -1.970 1.00 0.00 C ATOM 467 C PRO A 36 20.055 -27.740 -0.923 1.00 0.00 C ATOM 468 O PRO A 36 20.329 -26.569 -1.183 1.00 0.00 O ATOM 469 CB PRO A 36 21.345 -28.460 -2.952 1.00 0.00 C ATOM 470 CG PRO A 36 20.639 -27.824 -4.100 1.00 0.00 C ATOM 471 CD PRO A 36 19.311 -28.520 -4.207 1.00 0.00 C ATOM 0 HA PRO A 36 20.434 -29.741 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.060 -27.774 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.905 -29.340 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.507 -26.755 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.213 -27.934 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.531 -27.845 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.350 -29.355 -4.907 1.00 0.00 H new ATOM 479 N MET A 37 19.597 -28.130 0.262 1.00 0.00 N ATOM 480 CA MET A 37 19.386 -27.182 1.349 1.00 0.00 C ATOM 481 C MET A 37 20.696 -26.510 1.747 1.00 0.00 C ATOM 482 O MET A 37 21.599 -27.154 2.281 1.00 0.00 O ATOM 483 CB MET A 37 18.774 -27.889 2.560 1.00 0.00 C ATOM 484 CG MET A 37 17.485 -28.629 2.244 1.00 0.00 C ATOM 485 SD MET A 37 17.243 -30.079 3.289 1.00 0.00 S ATOM 486 CE MET A 37 18.312 -31.264 2.476 1.00 0.00 C ATOM 0 H MET A 37 19.365 -29.096 0.494 1.00 0.00 H new ATOM 0 HA MET A 37 18.696 -26.414 0.998 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.500 -28.596 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.579 -27.153 3.340 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.641 -27.951 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.494 -28.937 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.217 -32.234 2.963 1.00 0.00 H new ATOM 0 HE2 MET A 37 18.025 -31.354 1.428 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.346 -30.925 2.541 1.00 0.00 H new ATOM 496 N LYS A 38 20.794 -25.211 1.481 1.00 0.00 N ATOM 497 CA LYS A 38 21.994 -24.451 1.812 1.00 0.00 C ATOM 498 C LYS A 38 22.227 -24.430 3.319 1.00 0.00 C ATOM 499 O LYS A 38 23.368 -24.407 3.779 1.00 0.00 O ATOM 500 CB LYS A 38 21.877 -23.020 1.283 1.00 0.00 C ATOM 501 CG LYS A 38 23.038 -22.126 1.685 1.00 0.00 C ATOM 502 CD LYS A 38 24.350 -22.619 1.098 1.00 0.00 C ATOM 503 CE LYS A 38 24.432 -22.344 -0.396 1.00 0.00 C ATOM 504 NZ LYS A 38 25.834 -22.122 -0.843 1.00 0.00 N ATOM 0 H LYS A 38 20.057 -24.663 1.037 1.00 0.00 H new ATOM 0 HA LYS A 38 22.846 -24.939 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.811 -23.048 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.948 -22.581 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.848 -21.107 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.114 -22.093 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.182 -22.131 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.451 -23.689 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.005 -23.184 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.831 -21.467 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.847 -21.938 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.234 -21.305 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.402 -22.968 -0.636 1.00 0.00 H new ATOM 518 N GLU A 39 21.138 -24.439 4.082 1.00 0.00 N ATOM 519 CA GLU A 39 21.226 -24.422 5.537 1.00 0.00 C ATOM 520 C GLU A 39 19.873 -24.742 6.167 1.00 0.00 C ATOM 521 O GLU A 39 18.845 -24.743 5.491 1.00 0.00 O ATOM 522 CB GLU A 39 21.718 -23.057 6.024 1.00 0.00 C ATOM 523 CG GLU A 39 22.568 -23.130 7.281 1.00 0.00 C ATOM 524 CD GLU A 39 23.757 -24.059 7.129 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.604 -23.799 6.249 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.840 -25.045 7.890 1.00 0.00 O ATOM 0 H GLU A 39 20.186 -24.458 3.717 1.00 0.00 H new ATOM 0 HA GLU A 39 21.940 -25.187 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.297 -22.585 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.857 -22.416 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.923 -22.131 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.951 -23.469 8.113 1.00 0.00 H new ATOM 533 N VAL A 40 19.883 -25.013 7.469 1.00 0.00 N ATOM 534 CA VAL A 40 18.658 -25.335 8.192 1.00 0.00 C ATOM 535 C VAL A 40 18.751 -24.900 9.650 1.00 0.00 C ATOM 536 O VAL A 40 19.731 -25.193 10.336 1.00 0.00 O ATOM 537 CB VAL A 40 18.352 -26.843 8.135 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.739 -27.214 6.794 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.614 -27.652 8.396 1.00 0.00 C ATOM 0 H VAL A 40 20.725 -25.016 8.044 1.00 0.00 H new ATOM 0 HA VAL A 40 17.850 -24.790 7.704 1.00 0.00 H new ATOM 0 HB VAL A 40 17.628 -27.079 8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.530 -28.284 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.811 -26.660 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.436 -26.965 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.380 -28.716 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.362 -27.414 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.005 -27.407 9.383 1.00 0.00 H new ATOM 549 N LYS A 41 17.724 -24.199 10.119 1.00 0.00 N ATOM 550 CA LYS A 41 17.687 -23.725 11.498 1.00 0.00 C ATOM 551 C LYS A 41 16.520 -24.348 12.257 1.00 0.00 C ATOM 552 O LYS A 41 15.398 -24.400 11.754 1.00 0.00 O ATOM 553 CB LYS A 41 17.574 -22.199 11.530 1.00 0.00 C ATOM 554 CG LYS A 41 18.296 -21.511 10.385 1.00 0.00 C ATOM 555 CD LYS A 41 19.788 -21.799 10.413 1.00 0.00 C ATOM 556 CE LYS A 41 20.460 -21.148 11.612 1.00 0.00 C ATOM 557 NZ LYS A 41 21.295 -19.981 11.213 1.00 0.00 N ATOM 0 H LYS A 41 16.906 -23.946 9.564 1.00 0.00 H new ATOM 0 HA LYS A 41 18.615 -24.026 11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.520 -21.921 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.977 -21.833 12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.878 -21.846 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.131 -20.435 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.951 -22.876 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.247 -21.433 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.700 -20.825 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.083 -21.883 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.736 -19.565 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.036 -20.294 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.697 -19.269 10.748 1.00 0.00 H new ATOM 571 N ILE A 42 16.793 -24.819 13.469 1.00 0.00 N ATOM 572 CA ILE A 42 15.765 -25.436 14.297 1.00 0.00 C ATOM 573 C ILE A 42 15.812 -24.899 15.723 1.00 0.00 C ATOM 574 O ILE A 42 16.743 -25.187 16.477 1.00 0.00 O ATOM 575 CB ILE A 42 15.915 -26.968 14.333 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.359 -27.368 14.026 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.958 -27.617 13.343 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.649 -27.502 12.548 1.00 0.00 C ATOM 0 H ILE A 42 17.717 -24.785 13.899 1.00 0.00 H new ATOM 0 HA ILE A 42 14.805 -25.183 13.847 1.00 0.00 H new ATOM 0 HB ILE A 42 15.665 -27.320 15.334 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.032 -26.625 14.454 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.577 -28.316 14.518 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.076 -28.700 13.380 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.932 -27.354 13.603 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.180 -27.262 12.337 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.691 -27.788 12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.002 -28.266 12.118 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.463 -26.549 12.053 1.00 0.00 H new ATOM 590 N LEU A 43 14.801 -24.117 16.089 1.00 0.00 N ATOM 591 CA LEU A 43 14.726 -23.540 17.427 1.00 0.00 C ATOM 592 C LEU A 43 13.413 -23.914 18.108 1.00 0.00 C ATOM 593 O LEU A 43 12.374 -24.020 17.458 1.00 0.00 O ATOM 594 CB LEU A 43 14.861 -22.018 17.356 1.00 0.00 C ATOM 595 CG LEU A 43 16.001 -21.486 16.486 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.650 -20.117 15.925 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.295 -21.421 17.284 1.00 0.00 C ATOM 0 H LEU A 43 14.023 -23.868 15.478 1.00 0.00 H new ATOM 0 HA LEU A 43 15.549 -23.944 18.017 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.923 -21.607 16.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.995 -21.637 18.369 1.00 0.00 H new ATOM 0 HG LEU A 43 16.146 -22.172 15.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.473 -19.754 15.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.748 -20.193 15.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.477 -19.421 16.746 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.095 -21.040 16.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.163 -20.757 18.138 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.555 -22.419 17.637 1.00 0.00 H new ATOM 609 N ASN A 44 13.468 -24.110 19.421 1.00 0.00 N ATOM 610 CA ASN A 44 12.283 -24.470 20.190 1.00 0.00 C ATOM 611 C ASN A 44 11.219 -23.381 20.092 1.00 0.00 C ATOM 612 O ASN A 44 11.235 -22.412 20.850 1.00 0.00 O ATOM 613 CB ASN A 44 12.653 -24.706 21.656 1.00 0.00 C ATOM 614 CG ASN A 44 13.528 -25.931 21.841 1.00 0.00 C ATOM 615 OD1 ASN A 44 13.094 -27.057 21.289 1.00 0.00 O flip ATOM 616 ND2 ASN A 44 14.582 -25.864 22.474 1.00 0.00 N flip ATOM 0 H ASN A 44 14.321 -24.026 19.975 1.00 0.00 H new ATOM 0 HA ASN A 44 11.875 -25.390 19.772 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.173 -23.829 22.042 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.742 -24.821 22.244 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.877 -24.977 22.881 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.160 -26.696 22.591 1.00 0.00 H new ATOM 623 N GLY A 45 10.293 -23.549 19.152 1.00 0.00 N ATOM 624 CA GLY A 45 9.234 -22.573 18.972 1.00 0.00 C ATOM 625 C GLY A 45 9.031 -22.200 17.517 1.00 0.00 C ATOM 626 O GLY A 45 7.968 -21.708 17.137 1.00 0.00 O ATOM 0 H GLY A 45 10.258 -24.343 18.513 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.303 -22.973 19.375 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.470 -21.676 19.544 1.00 0.00 H new ATOM 630 N PHE A 46 10.053 -22.433 16.700 1.00 0.00 N ATOM 631 CA PHE A 46 9.983 -22.115 15.278 1.00 0.00 C ATOM 632 C PHE A 46 11.138 -22.762 14.519 1.00 0.00 C ATOM 633 O PHE A 46 12.225 -22.951 15.065 1.00 0.00 O ATOM 634 CB PHE A 46 10.007 -20.599 15.071 1.00 0.00 C ATOM 635 CG PHE A 46 10.599 -19.845 16.228 1.00 0.00 C ATOM 636 CD1 PHE A 46 11.939 -19.989 16.552 1.00 0.00 C ATOM 637 CD2 PHE A 46 9.816 -18.994 16.990 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.487 -19.296 17.616 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.359 -18.299 18.055 1.00 0.00 C ATOM 640 CZ PHE A 46 11.695 -18.451 18.368 1.00 0.00 C ATOM 0 H PHE A 46 10.939 -22.841 16.998 1.00 0.00 H new ATOM 0 HA PHE A 46 9.046 -22.513 14.887 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.577 -20.372 14.170 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.989 -20.247 14.901 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.562 -20.650 15.967 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.770 -18.872 16.750 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.533 -19.416 17.858 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.738 -17.638 18.642 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.120 -17.910 19.200 1.00 0.00 H new ATOM 650 N ALA A 47 10.893 -23.099 13.257 1.00 0.00 N ATOM 651 CA ALA A 47 11.911 -23.723 12.422 1.00 0.00 C ATOM 652 C ALA A 47 12.153 -22.913 11.153 1.00 0.00 C ATOM 653 O ALA A 47 11.314 -22.106 10.751 1.00 0.00 O ATOM 654 CB ALA A 47 11.507 -25.148 12.072 1.00 0.00 C ATOM 0 H ALA A 47 9.998 -22.950 12.791 1.00 0.00 H new ATOM 0 HA ALA A 47 12.842 -23.750 12.988 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.277 -25.602 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.393 -25.729 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.561 -25.135 11.530 1.00 0.00 H new ATOM 660 N PHE A 48 13.304 -23.133 10.526 1.00 0.00 N ATOM 661 CA PHE A 48 13.656 -22.421 9.303 1.00 0.00 C ATOM 662 C PHE A 48 14.542 -23.284 8.408 1.00 0.00 C ATOM 663 O PHE A 48 15.295 -24.129 8.891 1.00 0.00 O ATOM 664 CB PHE A 48 14.372 -21.111 9.638 1.00 0.00 C ATOM 665 CG PHE A 48 13.679 -20.303 10.696 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.579 -19.522 10.381 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.127 -20.324 12.007 1.00 0.00 C ATOM 668 CE1 PHE A 48 11.938 -18.776 11.353 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.490 -19.581 12.984 1.00 0.00 C ATOM 670 CZ PHE A 48 12.395 -18.805 12.655 1.00 0.00 C ATOM 0 H PHE A 48 14.008 -23.798 10.844 1.00 0.00 H new ATOM 0 HA PHE A 48 12.735 -22.196 8.765 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.386 -21.335 9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.458 -20.511 8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.218 -19.495 9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 48 14.983 -20.928 12.269 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.081 -18.172 11.094 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.848 -19.607 14.003 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.897 -18.222 13.416 1.00 0.00 H new ATOM 680 N VAL A 49 14.445 -23.064 7.101 1.00 0.00 N ATOM 681 CA VAL A 49 15.236 -23.819 6.137 1.00 0.00 C ATOM 682 C VAL A 49 15.595 -22.963 4.929 1.00 0.00 C ATOM 683 O VAL A 49 14.716 -22.456 4.232 1.00 0.00 O ATOM 684 CB VAL A 49 14.486 -25.076 5.657 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.151 -24.696 5.035 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.339 -25.861 4.672 1.00 0.00 C ATOM 0 H VAL A 49 13.826 -22.368 6.685 1.00 0.00 H new ATOM 0 HA VAL A 49 16.150 -24.123 6.647 1.00 0.00 H new ATOM 0 HB VAL A 49 14.289 -25.713 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.635 -25.597 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.539 -24.180 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.321 -24.039 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.794 -26.746 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.568 -25.235 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.267 -26.166 5.156 1.00 0.00 H new ATOM 696 N GLU A 50 16.893 -22.806 4.685 1.00 0.00 N ATOM 697 CA GLU A 50 17.368 -22.009 3.560 1.00 0.00 C ATOM 698 C GLU A 50 17.872 -22.906 2.433 1.00 0.00 C ATOM 699 O GLU A 50 18.910 -23.556 2.559 1.00 0.00 O ATOM 700 CB GLU A 50 18.482 -21.063 4.011 1.00 0.00 C ATOM 701 CG GLU A 50 19.081 -20.245 2.879 1.00 0.00 C ATOM 702 CD GLU A 50 19.756 -18.978 3.368 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.275 -18.397 4.363 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.765 -18.569 2.756 1.00 0.00 O ATOM 0 H GLU A 50 17.634 -23.220 5.251 1.00 0.00 H new ATOM 0 HA GLU A 50 16.531 -21.420 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.087 -20.386 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.272 -21.645 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.807 -20.854 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.296 -19.983 2.170 1.00 0.00 H new ATOM 711 N PHE A 51 17.128 -22.937 1.332 1.00 0.00 N ATOM 712 CA PHE A 51 17.498 -23.755 0.183 1.00 0.00 C ATOM 713 C PHE A 51 18.544 -23.048 -0.674 1.00 0.00 C ATOM 714 O PHE A 51 18.570 -21.820 -0.752 1.00 0.00 O ATOM 715 CB PHE A 51 16.262 -24.075 -0.661 1.00 0.00 C ATOM 716 CG PHE A 51 15.571 -25.345 -0.254 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.155 -26.577 -0.500 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.337 -25.307 0.376 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.520 -27.747 -0.128 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.698 -26.473 0.751 1.00 0.00 C ATOM 721 CZ PHE A 51 14.291 -27.695 0.500 1.00 0.00 C ATOM 0 H PHE A 51 16.266 -22.405 1.211 1.00 0.00 H new ATOM 0 HA PHE A 51 17.927 -24.686 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.557 -23.247 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.556 -24.150 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.117 -26.624 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.869 -24.354 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 51 15.985 -28.701 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.736 -26.429 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.795 -28.608 0.794 1.00 0.00 H new ATOM 731 N GLU A 52 19.404 -23.833 -1.316 1.00 0.00 N ATOM 732 CA GLU A 52 20.452 -23.282 -2.166 1.00 0.00 C ATOM 733 C GLU A 52 19.880 -22.812 -3.500 1.00 0.00 C ATOM 734 O GLU A 52 20.602 -22.283 -4.345 1.00 0.00 O ATOM 735 CB GLU A 52 21.545 -24.325 -2.407 1.00 0.00 C ATOM 736 CG GLU A 52 22.767 -23.773 -3.121 1.00 0.00 C ATOM 737 CD GLU A 52 23.973 -24.685 -3.004 1.00 0.00 C ATOM 738 OE1 GLU A 52 24.111 -25.355 -1.960 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.779 -24.727 -3.957 1.00 0.00 O ATOM 0 H GLU A 52 19.395 -24.852 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 52 20.886 -22.423 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.853 -24.744 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.130 -25.144 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.531 -23.623 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.014 -22.795 -2.707 1.00 0.00 H new ATOM 746 N GLU A 53 18.577 -23.009 -3.681 1.00 0.00 N ATOM 747 CA GLU A 53 17.909 -22.606 -4.913 1.00 0.00 C ATOM 748 C GLU A 53 16.525 -22.033 -4.618 1.00 0.00 C ATOM 749 O GLU A 53 15.696 -22.682 -3.982 1.00 0.00 O ATOM 750 CB GLU A 53 17.787 -23.796 -5.866 1.00 0.00 C ATOM 751 CG GLU A 53 19.019 -24.013 -6.729 1.00 0.00 C ATOM 752 CD GLU A 53 19.373 -22.794 -7.558 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.777 -22.620 -8.642 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.246 -22.015 -7.123 1.00 0.00 O ATOM 0 H GLU A 53 17.965 -23.444 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 53 18.512 -21.831 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.597 -24.698 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.923 -23.646 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.864 -24.272 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.849 -24.861 -7.392 1.00 0.00 H new ATOM 761 N ALA A 54 16.285 -20.812 -5.085 1.00 0.00 N ATOM 762 CA ALA A 54 15.003 -20.152 -4.874 1.00 0.00 C ATOM 763 C ALA A 54 13.845 -21.059 -5.278 1.00 0.00 C ATOM 764 O ALA A 54 12.824 -21.119 -4.593 1.00 0.00 O ATOM 765 CB ALA A 54 14.948 -18.845 -5.650 1.00 0.00 C ATOM 0 H ALA A 54 16.962 -20.260 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 54 14.905 -19.934 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.985 -18.363 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.747 -18.186 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.073 -19.048 -6.714 1.00 0.00 H new ATOM 771 N GLU A 55 14.012 -21.762 -6.394 1.00 0.00 N ATOM 772 CA GLU A 55 12.978 -22.664 -6.888 1.00 0.00 C ATOM 773 C GLU A 55 12.627 -23.716 -5.840 1.00 0.00 C ATOM 774 O GLU A 55 11.460 -23.900 -5.497 1.00 0.00 O ATOM 775 CB GLU A 55 13.441 -23.347 -8.177 1.00 0.00 C ATOM 776 CG GLU A 55 12.309 -23.971 -8.975 1.00 0.00 C ATOM 777 CD GLU A 55 12.808 -24.845 -10.110 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.651 -24.370 -10.899 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.354 -26.005 -10.208 1.00 0.00 O ATOM 0 H GLU A 55 14.852 -21.724 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 55 12.086 -22.074 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.955 -22.616 -8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.168 -24.120 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.686 -24.568 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.677 -23.181 -9.381 1.00 0.00 H new ATOM 786 N SER A 56 13.647 -24.403 -5.336 1.00 0.00 N ATOM 787 CA SER A 56 13.447 -25.440 -4.330 1.00 0.00 C ATOM 788 C SER A 56 12.714 -24.883 -3.113 1.00 0.00 C ATOM 789 O SER A 56 11.872 -25.556 -2.520 1.00 0.00 O ATOM 790 CB SER A 56 14.791 -26.032 -3.902 1.00 0.00 C ATOM 791 OG SER A 56 15.266 -26.963 -4.860 1.00 0.00 O ATOM 0 H SER A 56 14.620 -24.261 -5.607 1.00 0.00 H new ATOM 0 HA SER A 56 12.836 -26.227 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.520 -25.232 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.684 -26.523 -2.935 1.00 0.00 H new ATOM 0 HG SER A 56 14.858 -27.839 -4.695 1.00 0.00 H new ATOM 797 N ALA A 57 13.041 -23.648 -2.748 1.00 0.00 N ATOM 798 CA ALA A 57 12.414 -22.998 -1.604 1.00 0.00 C ATOM 799 C ALA A 57 10.953 -22.668 -1.893 1.00 0.00 C ATOM 800 O ALA A 57 10.062 -23.025 -1.124 1.00 0.00 O ATOM 801 CB ALA A 57 13.178 -21.736 -1.229 1.00 0.00 C ATOM 0 H ALA A 57 13.737 -23.077 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 57 12.444 -23.691 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.698 -21.261 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.205 -21.995 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.179 -21.047 -2.073 1.00 0.00 H new ATOM 807 N ALA A 58 10.716 -21.982 -3.007 1.00 0.00 N ATOM 808 CA ALA A 58 9.363 -21.605 -3.398 1.00 0.00 C ATOM 809 C ALA A 58 8.461 -22.830 -3.506 1.00 0.00 C ATOM 810 O ALA A 58 7.258 -22.752 -3.255 1.00 0.00 O ATOM 811 CB ALA A 58 9.387 -20.847 -4.717 1.00 0.00 C ATOM 0 H ALA A 58 11.443 -21.676 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 58 8.956 -20.954 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.370 -20.572 -4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.990 -19.946 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.818 -21.480 -5.493 1.00 0.00 H new ATOM 817 N LYS A 59 9.049 -23.961 -3.881 1.00 0.00 N ATOM 818 CA LYS A 59 8.300 -25.204 -4.021 1.00 0.00 C ATOM 819 C LYS A 59 8.018 -25.827 -2.658 1.00 0.00 C ATOM 820 O LYS A 59 6.869 -26.108 -2.319 1.00 0.00 O ATOM 821 CB LYS A 59 9.073 -26.193 -4.896 1.00 0.00 C ATOM 822 CG LYS A 59 8.935 -25.926 -6.385 1.00 0.00 C ATOM 823 CD LYS A 59 7.713 -26.617 -6.965 1.00 0.00 C ATOM 824 CE LYS A 59 7.262 -25.960 -8.261 1.00 0.00 C ATOM 825 NZ LYS A 59 8.239 -26.181 -9.363 1.00 0.00 N ATOM 0 H LYS A 59 10.043 -24.042 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 59 7.348 -24.973 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.128 -26.157 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.724 -27.203 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.863 -24.852 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.830 -26.273 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.941 -27.667 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.900 -26.589 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.290 -26.359 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.132 -24.890 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.896 -25.718 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.160 -25.778 -9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.344 -27.201 -9.534 1.00 0.00 H new ATOM 839 N ALA A 60 9.074 -26.038 -1.880 1.00 0.00 N ATOM 840 CA ALA A 60 8.940 -26.625 -0.552 1.00 0.00 C ATOM 841 C ALA A 60 7.902 -25.875 0.276 1.00 0.00 C ATOM 842 O ALA A 60 7.185 -26.473 1.079 1.00 0.00 O ATOM 843 CB ALA A 60 10.283 -26.630 0.162 1.00 0.00 C ATOM 0 H ALA A 60 10.032 -25.811 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 60 8.600 -27.654 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.167 -27.071 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.999 -27.215 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.646 -25.607 0.261 1.00 0.00 H new ATOM 849 N ILE A 61 7.827 -24.564 0.077 1.00 0.00 N ATOM 850 CA ILE A 61 6.876 -23.733 0.805 1.00 0.00 C ATOM 851 C ILE A 61 5.440 -24.116 0.467 1.00 0.00 C ATOM 852 O ILE A 61 4.551 -24.044 1.315 1.00 0.00 O ATOM 853 CB ILE A 61 7.083 -22.238 0.498 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.408 -21.752 1.088 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.922 -21.420 1.043 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.899 -20.455 0.484 1.00 0.00 C ATOM 0 H ILE A 61 8.414 -24.054 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 61 7.055 -23.905 1.866 1.00 0.00 H new ATOM 0 HB ILE A 61 7.119 -22.106 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.291 -21.621 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.166 -22.522 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.083 -20.366 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.993 -21.752 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.857 -21.555 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.843 -20.171 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.048 -20.586 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.160 -19.672 0.654 1.00 0.00 H new ATOM 868 N GLU A 62 5.220 -24.526 -0.779 1.00 0.00 N ATOM 869 CA GLU A 62 3.890 -24.922 -1.229 1.00 0.00 C ATOM 870 C GLU A 62 3.671 -26.419 -1.028 1.00 0.00 C ATOM 871 O GLU A 62 2.535 -26.885 -0.950 1.00 0.00 O ATOM 872 CB GLU A 62 3.698 -24.561 -2.703 1.00 0.00 C ATOM 873 CG GLU A 62 2.791 -25.522 -3.452 1.00 0.00 C ATOM 874 CD GLU A 62 2.330 -24.970 -4.786 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.966 -23.776 -4.840 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.332 -25.730 -5.777 1.00 0.00 O ATOM 0 H GLU A 62 5.945 -24.593 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 62 3.156 -24.381 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.283 -23.555 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.672 -24.538 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.319 -26.462 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.920 -25.748 -2.836 1.00 0.00 H new ATOM 883 N GLU A 63 4.768 -27.166 -0.945 1.00 0.00 N ATOM 884 CA GLU A 63 4.696 -28.609 -0.754 1.00 0.00 C ATOM 885 C GLU A 63 4.558 -28.957 0.725 1.00 0.00 C ATOM 886 O GLU A 63 3.524 -29.464 1.162 1.00 0.00 O ATOM 887 CB GLU A 63 5.939 -29.286 -1.334 1.00 0.00 C ATOM 888 CG GLU A 63 6.151 -29.006 -2.813 1.00 0.00 C ATOM 889 CD GLU A 63 5.508 -30.052 -3.702 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.781 -30.917 -3.172 1.00 0.00 O ATOM 891 OE2 GLU A 63 5.733 -30.005 -4.930 1.00 0.00 O ATOM 0 H GLU A 63 5.716 -26.795 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 63 3.814 -28.974 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.816 -28.952 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.859 -30.363 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.741 -28.026 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.220 -28.965 -3.022 1.00 0.00 H new ATOM 898 N VAL A 64 5.607 -28.680 1.492 1.00 0.00 N ATOM 899 CA VAL A 64 5.604 -28.962 2.923 1.00 0.00 C ATOM 900 C VAL A 64 4.367 -28.378 3.596 1.00 0.00 C ATOM 901 O VAL A 64 3.825 -28.960 4.536 1.00 0.00 O ATOM 902 CB VAL A 64 6.863 -28.399 3.609 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.940 -28.869 5.053 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.113 -28.801 2.841 1.00 0.00 C ATOM 0 H VAL A 64 6.470 -28.260 1.147 1.00 0.00 H new ATOM 0 HA VAL A 64 5.595 -30.047 3.032 1.00 0.00 H new ATOM 0 HB VAL A 64 6.799 -27.311 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.836 -28.461 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.059 -28.525 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.980 -29.958 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.993 -28.395 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.185 -29.888 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.058 -28.409 1.826 1.00 0.00 H new ATOM 914 N HIS A 65 3.924 -27.224 3.108 1.00 0.00 N ATOM 915 CA HIS A 65 2.749 -26.560 3.662 1.00 0.00 C ATOM 916 C HIS A 65 1.528 -27.471 3.592 1.00 0.00 C ATOM 917 O HIS A 65 1.139 -27.924 2.516 1.00 0.00 O ATOM 918 CB HIS A 65 2.472 -25.257 2.910 1.00 0.00 C ATOM 919 CG HIS A 65 1.163 -24.626 3.271 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.815 -24.301 4.565 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.115 -24.257 2.497 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.391 -23.761 4.572 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.838 -23.723 3.329 1.00 0.00 N ATOM 0 H HIS A 65 4.361 -26.729 2.330 1.00 0.00 H new ATOM 0 HA HIS A 65 2.950 -26.331 4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.276 -24.550 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.488 -25.455 1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.042 -24.363 1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.921 -23.410 5.445 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.744 -23.357 3.035 1.00 0.00 H new ATOM 931 N GLY A 66 0.927 -27.737 4.748 1.00 0.00 N ATOM 932 CA GLY A 66 -0.244 -28.593 4.796 1.00 0.00 C ATOM 933 C GLY A 66 0.114 -30.054 4.987 1.00 0.00 C ATOM 934 O GLY A 66 -0.749 -30.928 4.907 1.00 0.00 O ATOM 0 H GLY A 66 1.230 -27.375 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.892 -28.271 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.812 -28.479 3.873 1.00 0.00 H new ATOM 938 N LYS A 67 1.392 -30.321 5.238 1.00 0.00 N ATOM 939 CA LYS A 67 1.863 -31.685 5.440 1.00 0.00 C ATOM 940 C LYS A 67 1.528 -32.175 6.845 1.00 0.00 C ATOM 941 O LYS A 67 0.874 -31.473 7.617 1.00 0.00 O ATOM 942 CB LYS A 67 3.374 -31.764 5.209 1.00 0.00 C ATOM 943 CG LYS A 67 3.767 -31.747 3.741 1.00 0.00 C ATOM 944 CD LYS A 67 3.192 -32.940 2.997 1.00 0.00 C ATOM 945 CE LYS A 67 1.965 -32.553 2.186 1.00 0.00 C ATOM 946 NZ LYS A 67 1.016 -33.692 2.038 1.00 0.00 N ATOM 0 H LYS A 67 2.120 -29.609 5.306 1.00 0.00 H new ATOM 0 HA LYS A 67 1.356 -32.327 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.855 -30.927 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.756 -32.676 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.414 -30.825 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.854 -31.752 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.951 -33.357 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.927 -33.721 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.458 -31.718 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.275 -32.208 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.193 -33.388 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.492 -34.480 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.700 -34.005 2.978 1.00 0.00 H new ATOM 960 N SER A 68 1.980 -33.381 7.171 1.00 0.00 N ATOM 961 CA SER A 68 1.726 -33.965 8.483 1.00 0.00 C ATOM 962 C SER A 68 3.034 -34.318 9.183 1.00 0.00 C ATOM 963 O SER A 68 4.009 -34.710 8.541 1.00 0.00 O ATOM 964 CB SER A 68 0.852 -35.214 8.348 1.00 0.00 C ATOM 965 OG SER A 68 1.489 -36.197 7.550 1.00 0.00 O ATOM 0 H SER A 68 2.525 -33.974 6.544 1.00 0.00 H new ATOM 0 HA SER A 68 1.200 -33.226 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.642 -35.623 9.336 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.106 -34.945 7.904 1.00 0.00 H new ATOM 0 HG SER A 68 0.912 -36.986 7.480 1.00 0.00 H new ATOM 971 N PHE A 69 3.047 -34.178 10.504 1.00 0.00 N ATOM 972 CA PHE A 69 4.235 -34.481 11.294 1.00 0.00 C ATOM 973 C PHE A 69 3.924 -34.430 12.787 1.00 0.00 C ATOM 974 O PHE A 69 3.306 -33.482 13.271 1.00 0.00 O ATOM 975 CB PHE A 69 5.359 -33.497 10.962 1.00 0.00 C ATOM 976 CG PHE A 69 6.678 -33.864 11.579 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.969 -33.508 12.886 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.627 -34.564 10.852 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.183 -33.844 13.457 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.842 -34.903 11.418 1.00 0.00 C ATOM 981 CZ PHE A 69 9.120 -34.541 12.721 1.00 0.00 C ATOM 0 H PHE A 69 2.248 -33.857 11.051 1.00 0.00 H new ATOM 0 HA PHE A 69 4.559 -35.491 11.043 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.476 -33.443 9.880 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.072 -32.502 11.302 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.239 -32.962 13.466 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.415 -34.848 9.832 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.398 -33.562 14.477 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.573 -35.450 10.841 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.070 -34.803 13.164 1.00 0.00 H new ATOM 991 N ALA A 70 4.356 -35.457 13.511 1.00 0.00 N ATOM 992 CA ALA A 70 4.125 -35.529 14.948 1.00 0.00 C ATOM 993 C ALA A 70 2.634 -35.543 15.265 1.00 0.00 C ATOM 994 O ALA A 70 2.194 -34.952 16.250 1.00 0.00 O ATOM 995 CB ALA A 70 4.806 -34.364 15.651 1.00 0.00 C ATOM 0 H ALA A 70 4.868 -36.251 13.126 1.00 0.00 H new ATOM 0 HA ALA A 70 4.555 -36.461 15.314 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.625 -34.430 16.724 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.879 -34.401 15.461 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.403 -33.425 15.273 1.00 0.00 H new ATOM 1001 N ASN A 71 1.860 -36.220 14.422 1.00 0.00 N ATOM 1002 CA ASN A 71 0.417 -36.308 14.612 1.00 0.00 C ATOM 1003 C ASN A 71 -0.218 -34.921 14.612 1.00 0.00 C ATOM 1004 O ASN A 71 -1.208 -34.681 15.302 1.00 0.00 O ATOM 1005 CB ASN A 71 0.098 -37.027 15.924 1.00 0.00 C ATOM 1006 CG ASN A 71 0.146 -38.536 15.783 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.888 -39.204 15.775 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.352 -39.081 15.672 1.00 0.00 N ATOM 0 H ASN A 71 2.208 -36.715 13.601 1.00 0.00 H new ATOM 0 HA ASN A 71 0.001 -36.878 13.782 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.808 -36.714 16.689 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.892 -36.728 16.267 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.448 -40.092 15.575 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.182 -38.489 15.683 1.00 0.00 H new ATOM 1015 N GLN A 72 0.359 -34.012 13.831 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.151 -32.649 13.741 1.00 0.00 C ATOM 1017 C GLN A 72 0.135 -32.051 12.368 1.00 0.00 C ATOM 1018 O GLN A 72 1.118 -32.389 11.709 1.00 0.00 O ATOM 1019 CB GLN A 72 0.473 -31.776 14.831 1.00 0.00 C ATOM 1020 CG GLN A 72 0.187 -32.266 16.242 1.00 0.00 C ATOM 1021 CD GLN A 72 0.866 -31.422 17.302 1.00 0.00 C ATOM 1022 OE1 GLN A 72 1.985 -30.944 17.109 1.00 0.00 O ATOM 1023 NE2 GLN A 72 0.193 -31.234 18.431 1.00 0.00 N ATOM 0 H GLN A 72 1.179 -34.195 13.252 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.231 -32.681 13.885 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.552 -31.737 14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.100 -30.757 14.727 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.889 -32.260 16.413 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.520 -33.300 16.338 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.732 -31.649 18.549 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.600 -30.675 19.181 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.744 -31.140 11.924 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.607 -30.475 10.625 1.00 0.00 C ATOM 1034 C PRO A 73 0.567 -29.502 10.593 1.00 0.00 C ATOM 1035 O PRO A 73 0.666 -28.604 11.430 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.930 -29.721 10.471 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.403 -29.497 11.866 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.938 -30.688 12.657 1.00 0.00 C ATOM 0 HA PRO A 73 -0.410 -31.186 9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.789 -28.777 9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.652 -30.301 9.897 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.992 -28.573 12.274 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.489 -29.406 11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.700 -30.419 13.686 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.701 -31.465 12.700 1.00 0.00 H new ATOM 1046 N LEU A 74 1.455 -29.685 9.622 1.00 0.00 N ATOM 1047 CA LEU A 74 2.623 -28.823 9.480 1.00 0.00 C ATOM 1048 C LEU A 74 2.260 -27.530 8.757 1.00 0.00 C ATOM 1049 O LEU A 74 1.202 -27.430 8.137 1.00 0.00 O ATOM 1050 CB LEU A 74 3.730 -29.553 8.718 1.00 0.00 C ATOM 1051 CG LEU A 74 4.559 -30.549 9.529 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.640 -31.175 8.662 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.175 -29.867 10.742 1.00 0.00 C ATOM 0 H LEU A 74 1.388 -30.423 8.921 1.00 0.00 H new ATOM 0 HA LEU A 74 2.982 -28.571 10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.278 -30.084 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.405 -28.808 8.296 1.00 0.00 H new ATOM 0 HG LEU A 74 3.898 -31.342 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.220 -31.881 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.178 -31.699 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.299 -30.394 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.762 -30.591 11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.822 -29.054 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.383 -29.467 11.376 1.00 0.00 H new ATOM 1065 N GLU A 75 3.146 -26.542 8.841 1.00 0.00 N ATOM 1066 CA GLU A 75 2.918 -25.255 8.194 1.00 0.00 C ATOM 1067 C GLU A 75 4.242 -24.583 7.840 1.00 0.00 C ATOM 1068 O GLU A 75 5.134 -24.463 8.680 1.00 0.00 O ATOM 1069 CB GLU A 75 2.096 -24.340 9.104 1.00 0.00 C ATOM 1070 CG GLU A 75 1.965 -22.920 8.580 1.00 0.00 C ATOM 1071 CD GLU A 75 0.812 -22.168 9.216 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.352 -22.480 8.887 1.00 0.00 O ATOM 1073 OE2 GLU A 75 1.073 -21.267 10.041 1.00 0.00 O ATOM 0 H GLU A 75 4.027 -26.608 9.350 1.00 0.00 H new ATOM 0 HA GLU A 75 2.363 -25.433 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.100 -24.765 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.558 -24.313 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.893 -22.380 8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.824 -22.947 7.499 1.00 0.00 H new ATOM 1080 N VAL A 76 4.361 -24.146 6.590 1.00 0.00 N ATOM 1081 CA VAL A 76 5.574 -23.486 6.124 1.00 0.00 C ATOM 1082 C VAL A 76 5.249 -22.176 5.415 1.00 0.00 C ATOM 1083 O VAL A 76 4.229 -22.062 4.735 1.00 0.00 O ATOM 1084 CB VAL A 76 6.374 -24.390 5.167 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.782 -23.849 4.972 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.410 -25.818 5.690 1.00 0.00 C ATOM 0 H VAL A 76 3.632 -24.237 5.882 1.00 0.00 H new ATOM 0 HA VAL A 76 6.180 -23.278 7.006 1.00 0.00 H new ATOM 0 HB VAL A 76 5.876 -24.394 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.332 -24.501 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.731 -22.845 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.294 -23.812 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.979 -26.443 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.884 -25.834 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.393 -26.201 5.772 1.00 0.00 H new ATOM 1096 N VAL A 77 6.123 -21.188 5.579 1.00 0.00 N ATOM 1097 CA VAL A 77 5.930 -19.885 4.953 1.00 0.00 C ATOM 1098 C VAL A 77 7.258 -19.293 4.495 1.00 0.00 C ATOM 1099 O VAL A 77 8.327 -19.767 4.881 1.00 0.00 O ATOM 1100 CB VAL A 77 5.245 -18.896 5.915 1.00 0.00 C ATOM 1101 CG1 VAL A 77 4.542 -17.794 5.137 1.00 0.00 C ATOM 1102 CG2 VAL A 77 4.266 -19.627 6.821 1.00 0.00 C ATOM 0 H VAL A 77 6.971 -21.265 6.140 1.00 0.00 H new ATOM 0 HA VAL A 77 5.287 -20.042 4.087 1.00 0.00 H new ATOM 0 HB VAL A 77 6.010 -18.435 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.064 -17.105 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.271 -17.253 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.787 -18.234 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.791 -18.913 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.504 -20.116 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.801 -20.376 7.405 1.00 0.00 H new ATOM 1112 N TYR A 78 7.183 -18.256 3.669 1.00 0.00 N ATOM 1113 CA TYR A 78 8.380 -17.600 3.155 1.00 0.00 C ATOM 1114 C TYR A 78 9.065 -16.783 4.247 1.00 0.00 C ATOM 1115 O TYR A 78 8.692 -15.640 4.509 1.00 0.00 O ATOM 1116 CB TYR A 78 8.024 -16.695 1.974 1.00 0.00 C ATOM 1117 CG TYR A 78 8.544 -17.200 0.647 1.00 0.00 C ATOM 1118 CD1 TYR A 78 9.901 -17.428 0.452 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.679 -17.447 -0.412 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.380 -17.889 -0.759 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.150 -17.909 -1.626 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.501 -18.128 -1.794 1.00 0.00 C ATOM 1123 OH TYR A 78 9.974 -18.587 -3.003 1.00 0.00 O ATOM 0 H TYR A 78 6.306 -17.851 3.341 1.00 0.00 H new ATOM 0 HA TYR A 78 9.070 -18.373 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.940 -16.596 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.426 -15.698 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.592 -17.242 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.621 -17.275 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.438 -18.061 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.464 -18.097 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 78 10.680 -19.249 -2.848 1.00 0.00 H new ATOM 1133 N SER A 79 10.069 -17.380 4.881 1.00 0.00 N ATOM 1134 CA SER A 79 10.805 -16.711 5.948 1.00 0.00 C ATOM 1135 C SER A 79 11.351 -15.369 5.471 1.00 0.00 C ATOM 1136 O SER A 79 12.047 -15.292 4.459 1.00 0.00 O ATOM 1137 CB SER A 79 11.953 -17.597 6.437 1.00 0.00 C ATOM 1138 OG SER A 79 12.873 -16.853 7.217 1.00 0.00 O ATOM 0 H SER A 79 10.392 -18.325 4.675 1.00 0.00 H new ATOM 0 HA SER A 79 10.117 -16.531 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.554 -18.422 7.027 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.467 -18.036 5.582 1.00 0.00 H new ATOM 0 HG SER A 79 13.287 -17.440 7.883 1.00 0.00 H new ATOM 1144 N LYS A 80 11.030 -14.311 6.209 1.00 0.00 N ATOM 1145 CA LYS A 80 11.488 -12.970 5.865 1.00 0.00 C ATOM 1146 C LYS A 80 12.920 -12.745 6.342 1.00 0.00 C ATOM 1147 O LYS A 80 13.411 -11.616 6.352 1.00 0.00 O ATOM 1148 CB LYS A 80 10.563 -11.919 6.483 1.00 0.00 C ATOM 1149 CG LYS A 80 10.738 -11.760 7.983 1.00 0.00 C ATOM 1150 CD LYS A 80 9.556 -11.040 8.609 1.00 0.00 C ATOM 1151 CE LYS A 80 9.471 -11.305 10.105 1.00 0.00 C ATOM 1152 NZ LYS A 80 8.093 -11.092 10.628 1.00 0.00 N ATOM 0 H LYS A 80 10.454 -14.357 7.050 1.00 0.00 H new ATOM 0 HA LYS A 80 11.465 -12.873 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.745 -10.959 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.528 -12.190 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.852 -12.742 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.653 -11.204 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.647 -9.968 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.634 -11.365 8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.783 -12.329 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.164 -10.648 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.076 -11.282 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.804 -10.108 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.435 -11.736 10.145 1.00 0.00 H new