USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -2.38 X(o=-2.6,f=-3.1!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -161:sc= -0.256 (180deg=-0.506) USER MOD Set 2.1: A 29 GLN : amide:sc= -5.8! C(o=-9.1!,f=-20!) USER MOD Set 2.2: A 62 ASN : amide:sc= -3.32! C(o=-9.1!,f=-13!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.852 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.41 K(o=-1.4,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= -0.385 (180deg=-1.68!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 22:sc= -3.17! USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.746 USER MOD Single : A 57 THR OG1 : rot 88:sc= -2.32! USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.619) USER MOD Single : A 64 SER OG : rot 160:sc= -4.73! USER MOD Single : A 73 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 11.018 9.040 -6.496 1.00 0.00 N ATOM 57 CA VAL A 5 9.538 9.007 -6.667 1.00 0.00 C ATOM 58 C VAL A 5 9.178 7.955 -7.716 1.00 0.00 C ATOM 59 O VAL A 5 9.909 7.737 -8.661 1.00 0.00 O ATOM 60 CB VAL A 5 9.046 10.379 -7.129 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.567 10.528 -6.776 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.850 11.474 -6.425 1.00 0.00 C ATOM 0 HA VAL A 5 9.064 8.756 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 5 9.177 10.470 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.211 11.505 -7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.993 9.747 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.440 10.438 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.499 12.452 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.718 11.386 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.906 11.366 -6.672 1.00 0.00 H new ATOM 72 N SER A 6 8.066 7.289 -7.557 1.00 0.00 N ATOM 73 CA SER A 6 7.688 6.244 -8.553 1.00 0.00 C ATOM 74 C SER A 6 6.589 6.744 -9.486 1.00 0.00 C ATOM 75 O SER A 6 5.460 6.946 -9.084 1.00 0.00 O ATOM 76 CB SER A 6 7.167 5.001 -7.830 1.00 0.00 C ATOM 77 OG SER A 6 7.810 4.887 -6.567 1.00 0.00 O ATOM 0 H SER A 6 7.408 7.421 -6.789 1.00 0.00 H new ATOM 0 HA SER A 6 8.578 6.007 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.087 5.070 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.358 4.111 -8.430 1.00 0.00 H new ATOM 0 HG SER A 6 7.477 4.092 -6.101 1.00 0.00 H new ATOM 83 N LYS A 7 6.897 6.876 -10.743 1.00 0.00 N ATOM 84 CA LYS A 7 5.863 7.282 -11.723 1.00 0.00 C ATOM 85 C LYS A 7 5.177 5.993 -12.163 1.00 0.00 C ATOM 86 O LYS A 7 5.714 5.226 -12.946 1.00 0.00 O ATOM 87 CB LYS A 7 6.518 7.966 -12.925 1.00 0.00 C ATOM 88 CG LYS A 7 5.440 8.630 -13.783 1.00 0.00 C ATOM 89 CD LYS A 7 6.102 9.532 -14.825 1.00 0.00 C ATOM 90 CE LYS A 7 6.892 8.673 -15.814 1.00 0.00 C ATOM 91 NZ LYS A 7 6.552 9.078 -17.207 1.00 0.00 N ATOM 0 H LYS A 7 7.826 6.719 -11.133 1.00 0.00 H new ATOM 0 HA LYS A 7 5.154 7.987 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.238 8.711 -12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.070 7.236 -13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.834 7.870 -14.276 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.769 9.215 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.345 10.111 -15.354 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.765 10.245 -14.336 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.962 8.791 -15.641 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.659 7.619 -15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.089 8.494 -17.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.533 8.944 -17.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.796 10.079 -17.347 1.00 0.00 H new ATOM 105 N LEU A 8 4.029 5.706 -11.620 1.00 0.00 N ATOM 106 CA LEU A 8 3.361 4.428 -11.967 1.00 0.00 C ATOM 107 C LEU A 8 2.285 4.619 -13.025 1.00 0.00 C ATOM 108 O LEU A 8 1.396 5.438 -12.898 1.00 0.00 O ATOM 109 CB LEU A 8 2.700 3.839 -10.716 1.00 0.00 C ATOM 110 CG LEU A 8 3.628 2.824 -10.046 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.840 2.041 -8.993 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.173 1.842 -11.085 1.00 0.00 C ATOM 0 H LEU A 8 3.529 6.297 -10.956 1.00 0.00 H new ATOM 0 HA LEU A 8 4.126 3.758 -12.361 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.459 4.638 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.760 3.358 -10.987 1.00 0.00 H new ATOM 0 HG LEU A 8 4.458 3.355 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.496 1.316 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.450 2.730 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.012 1.519 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.832 1.124 -10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.344 1.312 -11.555 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.731 2.389 -11.845 1.00 0.00 H new ATOM 124 N ARG A 9 2.327 3.802 -14.035 1.00 0.00 N ATOM 125 CA ARG A 9 1.280 3.844 -15.081 1.00 0.00 C ATOM 126 C ARG A 9 0.511 2.541 -14.925 1.00 0.00 C ATOM 127 O ARG A 9 0.993 1.480 -15.271 1.00 0.00 O ATOM 128 CB ARG A 9 1.920 3.920 -16.467 1.00 0.00 C ATOM 129 CG ARG A 9 0.844 4.227 -17.510 1.00 0.00 C ATOM 130 CD ARG A 9 1.261 5.448 -18.331 1.00 0.00 C ATOM 131 NE ARG A 9 2.689 5.311 -18.734 1.00 0.00 N ATOM 132 CZ ARG A 9 3.172 6.057 -19.690 1.00 0.00 C ATOM 133 NH1 ARG A 9 3.458 5.529 -20.849 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.368 7.330 -19.486 1.00 0.00 N ATOM 0 H ARG A 9 3.052 3.099 -14.180 1.00 0.00 H new ATOM 0 HA ARG A 9 0.633 4.715 -14.979 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.688 4.693 -16.483 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.413 2.977 -16.704 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.701 3.367 -18.165 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.111 4.415 -17.018 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.630 5.538 -19.215 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.123 6.357 -17.746 1.00 0.00 H new ATOM 0 HE ARG A 9 3.289 4.634 -18.263 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.304 4.533 -21.008 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.835 6.112 -21.596 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.144 7.742 -18.580 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.745 7.914 -20.232 1.00 0.00 H new ATOM 148 N ILE A 10 -0.653 2.596 -14.355 1.00 0.00 N ATOM 149 CA ILE A 10 -1.412 1.344 -14.120 1.00 0.00 C ATOM 150 C ILE A 10 -2.521 1.212 -15.167 1.00 0.00 C ATOM 151 O ILE A 10 -3.189 2.160 -15.492 1.00 0.00 O ATOM 152 CB ILE A 10 -1.993 1.386 -12.697 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.974 2.040 -11.734 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.291 -0.037 -12.215 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.725 2.731 -10.602 1.00 0.00 C ATOM 0 H ILE A 10 -1.112 3.451 -14.042 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.759 0.476 -14.212 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.914 1.969 -12.710 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.300 1.284 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.359 2.761 -12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.702 -0.001 -11.206 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.013 -0.504 -12.885 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.370 -0.620 -12.211 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.011 3.193 -9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.381 3.497 -11.015 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.321 1.997 -10.060 1.00 0.00 H new ATOM 167 N ARG A 11 -2.703 0.046 -15.721 1.00 0.00 N ATOM 168 CA ARG A 11 -3.752 -0.126 -16.759 1.00 0.00 C ATOM 169 C ARG A 11 -4.904 -0.963 -16.187 1.00 0.00 C ATOM 170 O ARG A 11 -4.732 -1.705 -15.245 1.00 0.00 O ATOM 171 CB ARG A 11 -3.115 -0.823 -17.975 1.00 0.00 C ATOM 172 CG ARG A 11 -4.096 -1.799 -18.634 1.00 0.00 C ATOM 173 CD ARG A 11 -4.120 -3.098 -17.829 1.00 0.00 C ATOM 174 NE ARG A 11 -3.446 -4.176 -18.607 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.119 -5.231 -18.977 1.00 0.00 C ATOM 176 NH1 ARG A 11 -5.294 -5.096 -19.526 1.00 0.00 N ATOM 177 NH2 ARG A 11 -3.615 -6.422 -18.795 1.00 0.00 N ATOM 0 H ARG A 11 -2.170 -0.794 -15.499 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.155 0.839 -17.067 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.800 -0.075 -18.702 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.220 -1.360 -17.661 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.094 -1.362 -18.673 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.795 -1.999 -19.662 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.616 -2.955 -16.873 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.149 -3.383 -17.608 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.459 -4.089 -18.850 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.687 -4.165 -19.666 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.820 -5.921 -19.815 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.696 -6.527 -18.364 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.140 -7.248 -19.084 1.00 0.00 H new ATOM 191 N THR A 12 -6.074 -0.855 -16.757 1.00 0.00 N ATOM 192 CA THR A 12 -7.228 -1.655 -16.252 1.00 0.00 C ATOM 193 C THR A 12 -7.664 -2.647 -17.337 1.00 0.00 C ATOM 194 O THR A 12 -7.118 -2.653 -18.422 1.00 0.00 O ATOM 195 CB THR A 12 -8.402 -0.730 -15.909 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.316 -0.702 -16.996 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.897 0.686 -15.631 1.00 0.00 C ATOM 0 H THR A 12 -6.281 -0.248 -17.550 1.00 0.00 H new ATOM 0 HA THR A 12 -6.926 -2.193 -15.353 1.00 0.00 H new ATOM 0 HB THR A 12 -8.902 -1.109 -15.017 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.138 -0.245 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.741 1.332 -15.389 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.202 0.666 -14.791 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.387 1.071 -16.514 1.00 0.00 H new ATOM 205 N PRO A 13 -8.639 -3.459 -17.009 1.00 0.00 N ATOM 206 CA PRO A 13 -9.174 -4.470 -17.936 1.00 0.00 C ATOM 207 C PRO A 13 -10.140 -3.819 -18.928 1.00 0.00 C ATOM 208 O PRO A 13 -10.548 -4.420 -19.902 1.00 0.00 O ATOM 209 CB PRO A 13 -9.908 -5.447 -17.014 1.00 0.00 C ATOM 210 CG PRO A 13 -10.239 -4.664 -15.721 1.00 0.00 C ATOM 211 CD PRO A 13 -9.296 -3.446 -15.687 1.00 0.00 C ATOM 0 HA PRO A 13 -8.405 -4.957 -18.536 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.817 -5.818 -17.487 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.286 -6.315 -16.794 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.282 -4.346 -15.717 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.094 -5.291 -14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.848 -2.520 -15.526 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.568 -3.528 -14.880 1.00 0.00 H new ATOM 219 N SER A 14 -10.508 -2.589 -18.687 1.00 0.00 N ATOM 220 CA SER A 14 -11.444 -1.894 -19.615 1.00 0.00 C ATOM 221 C SER A 14 -10.644 -1.005 -20.567 1.00 0.00 C ATOM 222 O SER A 14 -11.197 -0.210 -21.301 1.00 0.00 O ATOM 223 CB SER A 14 -12.415 -1.031 -18.808 1.00 0.00 C ATOM 224 OG SER A 14 -13.450 -1.852 -18.287 1.00 0.00 O ATOM 0 H SER A 14 -10.200 -2.036 -17.887 1.00 0.00 H new ATOM 0 HA SER A 14 -12.005 -2.632 -20.188 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.887 -0.532 -17.995 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.838 -0.250 -19.440 1.00 0.00 H new ATOM 0 HG SER A 14 -14.073 -1.302 -17.768 1.00 0.00 H new ATOM 230 N GLY A 15 -9.345 -1.130 -20.561 1.00 0.00 N ATOM 231 CA GLY A 15 -8.512 -0.291 -21.466 1.00 0.00 C ATOM 232 C GLY A 15 -8.278 1.079 -20.823 1.00 0.00 C ATOM 233 O GLY A 15 -7.911 2.029 -21.484 1.00 0.00 O ATOM 0 H GLY A 15 -8.825 -1.777 -19.968 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.558 -0.782 -21.658 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.009 -0.172 -22.429 1.00 0.00 H new ATOM 237 N GLU A 16 -8.489 1.188 -19.540 1.00 0.00 N ATOM 238 CA GLU A 16 -8.278 2.499 -18.861 1.00 0.00 C ATOM 239 C GLU A 16 -6.858 2.558 -18.297 1.00 0.00 C ATOM 240 O GLU A 16 -6.188 1.553 -18.170 1.00 0.00 O ATOM 241 CB GLU A 16 -9.288 2.653 -17.723 1.00 0.00 C ATOM 242 CG GLU A 16 -10.179 3.867 -17.992 1.00 0.00 C ATOM 243 CD GLU A 16 -11.514 3.693 -17.267 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.593 2.825 -16.413 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.436 4.428 -17.579 1.00 0.00 O ATOM 0 H GLU A 16 -8.798 0.428 -18.933 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.416 3.307 -19.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.897 1.753 -17.639 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.766 2.775 -16.774 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.684 4.777 -17.651 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.347 3.978 -19.063 1.00 0.00 H new ATOM 252 N PHE A 17 -6.390 3.729 -17.957 1.00 0.00 N ATOM 253 CA PHE A 17 -5.012 3.844 -17.403 1.00 0.00 C ATOM 254 C PHE A 17 -5.013 4.792 -16.200 1.00 0.00 C ATOM 255 O PHE A 17 -5.415 5.934 -16.298 1.00 0.00 O ATOM 256 CB PHE A 17 -4.072 4.404 -18.476 1.00 0.00 C ATOM 257 CG PHE A 17 -3.317 3.277 -19.145 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.133 2.783 -18.576 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.797 2.733 -20.342 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.435 1.746 -19.206 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.096 1.697 -20.971 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.916 1.203 -20.403 1.00 0.00 C ATOM 0 H PHE A 17 -6.901 4.608 -18.039 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.672 2.857 -17.091 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.645 4.959 -19.219 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.370 5.105 -18.025 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.761 3.202 -17.653 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.708 3.112 -20.780 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.524 1.365 -18.768 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.466 1.279 -21.895 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.377 0.403 -20.888 1.00 0.00 H new ATOM 272 N LEU A 18 -4.543 4.333 -15.075 1.00 0.00 N ATOM 273 CA LEU A 18 -4.485 5.205 -13.876 1.00 0.00 C ATOM 274 C LEU A 18 -3.073 5.759 -13.763 1.00 0.00 C ATOM 275 O LEU A 18 -2.143 5.060 -13.400 1.00 0.00 O ATOM 276 CB LEU A 18 -4.793 4.420 -12.596 1.00 0.00 C ATOM 277 CG LEU A 18 -6.066 3.592 -12.756 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.202 4.460 -13.303 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.797 2.442 -13.713 1.00 0.00 C ATOM 0 H LEU A 18 -4.195 3.384 -14.936 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.226 5.997 -13.985 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.956 3.764 -12.357 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.906 5.110 -11.760 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.362 3.203 -11.782 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.102 3.855 -13.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.397 5.281 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.917 4.863 -14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.703 1.847 -13.831 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.494 2.838 -14.682 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.001 1.814 -13.313 1.00 0.00 H new ATOM 291 N GLU A 19 -2.905 7.004 -14.067 1.00 0.00 N ATOM 292 CA GLU A 19 -1.550 7.613 -13.967 1.00 0.00 C ATOM 293 C GLU A 19 -1.321 8.024 -12.517 1.00 0.00 C ATOM 294 O GLU A 19 -2.108 8.748 -11.940 1.00 0.00 O ATOM 295 CB GLU A 19 -1.462 8.839 -14.877 1.00 0.00 C ATOM 296 CG GLU A 19 -2.750 9.655 -14.759 1.00 0.00 C ATOM 297 CD GLU A 19 -2.519 11.058 -15.321 1.00 0.00 C ATOM 298 OE1 GLU A 19 -2.624 11.215 -16.527 1.00 0.00 O ATOM 299 OE2 GLU A 19 -2.239 11.950 -14.538 1.00 0.00 O ATOM 0 H GLU A 19 -3.644 7.633 -14.382 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.790 6.897 -14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.604 9.451 -14.598 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.309 8.528 -15.910 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.556 9.162 -15.303 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.060 9.716 -13.716 1.00 0.00 H new ATOM 306 N ARG A 20 -0.276 7.546 -11.906 1.00 0.00 N ATOM 307 CA ARG A 20 -0.049 7.898 -10.480 1.00 0.00 C ATOM 308 C ARG A 20 1.420 8.204 -10.207 1.00 0.00 C ATOM 309 O ARG A 20 2.314 7.577 -10.740 1.00 0.00 O ATOM 310 CB ARG A 20 -0.472 6.711 -9.617 1.00 0.00 C ATOM 311 CG ARG A 20 -0.898 7.198 -8.233 1.00 0.00 C ATOM 312 CD ARG A 20 -1.969 8.282 -8.372 1.00 0.00 C ATOM 313 NE ARG A 20 -1.379 9.605 -8.019 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.317 9.982 -6.770 1.00 0.00 C ATOM 315 NH1 ARG A 20 -1.637 9.150 -5.816 1.00 0.00 N ATOM 316 NH2 ARG A 20 -0.933 11.193 -6.474 1.00 0.00 N ATOM 0 H ARG A 20 0.423 6.934 -12.326 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.633 8.788 -10.244 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.295 6.179 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.353 6.005 -9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.285 6.364 -7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.036 7.592 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.352 8.302 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.813 8.061 -7.719 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.023 10.216 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.937 8.202 -6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.587 9.448 -4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.682 11.844 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.884 11.489 -5.499 1.00 0.00 H new ATOM 330 N ARG A 21 1.665 9.142 -9.338 1.00 0.00 N ATOM 331 CA ARG A 21 3.060 9.485 -8.964 1.00 0.00 C ATOM 332 C ARG A 21 3.164 9.332 -7.449 1.00 0.00 C ATOM 333 O ARG A 21 2.443 9.967 -6.706 1.00 0.00 O ATOM 334 CB ARG A 21 3.367 10.928 -9.366 1.00 0.00 C ATOM 335 CG ARG A 21 4.828 11.249 -9.044 1.00 0.00 C ATOM 336 CD ARG A 21 5.244 12.524 -9.781 1.00 0.00 C ATOM 337 NE ARG A 21 4.230 13.589 -9.539 1.00 0.00 N ATOM 338 CZ ARG A 21 4.581 14.845 -9.572 1.00 0.00 C ATOM 339 NH1 ARG A 21 5.657 15.237 -8.946 1.00 0.00 N ATOM 340 NH2 ARG A 21 3.857 15.709 -10.228 1.00 0.00 N ATOM 0 H ARG A 21 0.947 9.692 -8.866 1.00 0.00 H new ATOM 0 HA ARG A 21 3.772 8.835 -9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.179 11.068 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.707 11.613 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.955 11.380 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.468 10.419 -9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.224 12.854 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.333 12.327 -10.849 1.00 0.00 H new ATOM 0 HE ARG A 21 3.261 13.336 -9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.222 14.562 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.933 16.219 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.015 15.403 -10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.133 16.691 -10.253 1.00 0.00 H new ATOM 354 N PHE A 22 4.023 8.474 -6.976 1.00 0.00 N ATOM 355 CA PHE A 22 4.115 8.274 -5.503 1.00 0.00 C ATOM 356 C PHE A 22 5.469 8.706 -4.971 1.00 0.00 C ATOM 357 O PHE A 22 6.495 8.464 -5.574 1.00 0.00 O ATOM 358 CB PHE A 22 3.970 6.792 -5.166 1.00 0.00 C ATOM 359 CG PHE A 22 2.772 6.205 -5.843 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.486 6.564 -5.437 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.954 5.280 -6.873 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.378 6.002 -6.071 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.850 4.719 -7.505 1.00 0.00 C ATOM 364 CZ PHE A 22 0.559 5.080 -7.105 1.00 0.00 C ATOM 0 H PHE A 22 4.659 7.908 -7.538 1.00 0.00 H new ATOM 0 HA PHE A 22 3.321 8.870 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.867 6.255 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.880 6.667 -4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.349 7.274 -4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.951 5.001 -7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.619 6.279 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.989 4.005 -8.304 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.299 4.645 -7.596 1.00 0.00 H new ATOM 374 N LEU A 23 5.486 9.269 -3.800 1.00 0.00 N ATOM 375 CA LEU A 23 6.781 9.624 -3.188 1.00 0.00 C ATOM 376 C LEU A 23 7.381 8.307 -2.719 1.00 0.00 C ATOM 377 O LEU A 23 6.688 7.469 -2.192 1.00 0.00 O ATOM 378 CB LEU A 23 6.561 10.551 -1.991 1.00 0.00 C ATOM 379 CG LEU A 23 5.736 11.763 -2.427 1.00 0.00 C ATOM 380 CD1 LEU A 23 4.826 12.198 -1.278 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.676 12.913 -2.797 1.00 0.00 C ATOM 0 H LEU A 23 4.661 9.496 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 23 7.432 10.144 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.046 10.016 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.520 10.877 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 23 5.128 11.498 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.237 13.062 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.157 11.379 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.434 12.464 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.089 13.777 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.283 13.179 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.326 12.603 -3.615 1.00 0.00 H new ATOM 393 N ALA A 24 8.637 8.087 -2.930 1.00 0.00 N ATOM 394 CA ALA A 24 9.230 6.787 -2.504 1.00 0.00 C ATOM 395 C ALA A 24 8.726 6.404 -1.099 1.00 0.00 C ATOM 396 O ALA A 24 8.699 5.240 -0.733 1.00 0.00 O ATOM 397 CB ALA A 24 10.751 6.913 -2.499 1.00 0.00 C ATOM 0 H ALA A 24 9.282 8.740 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 24 8.929 6.005 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.193 5.966 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.099 7.165 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.049 7.698 -1.804 1.00 0.00 H new ATOM 403 N SER A 25 8.320 7.366 -0.311 1.00 0.00 N ATOM 404 CA SER A 25 7.818 7.051 1.061 1.00 0.00 C ATOM 405 C SER A 25 6.294 6.877 1.035 1.00 0.00 C ATOM 406 O SER A 25 5.661 6.733 2.063 1.00 0.00 O ATOM 407 CB SER A 25 8.180 8.198 2.007 1.00 0.00 C ATOM 408 OG SER A 25 7.197 9.220 1.902 1.00 0.00 O ATOM 0 H SER A 25 8.314 8.356 -0.558 1.00 0.00 H new ATOM 0 HA SER A 25 8.278 6.125 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.236 7.835 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.163 8.596 1.756 1.00 0.00 H new ATOM 0 HG SER A 25 7.424 9.956 2.508 1.00 0.00 H new ATOM 414 N ASN A 26 5.702 6.892 -0.127 1.00 0.00 N ATOM 415 CA ASN A 26 4.221 6.731 -0.219 1.00 0.00 C ATOM 416 C ASN A 26 3.818 5.364 0.331 1.00 0.00 C ATOM 417 O ASN A 26 4.637 4.625 0.844 1.00 0.00 O ATOM 418 CB ASN A 26 3.783 6.840 -1.681 1.00 0.00 C ATOM 419 CG ASN A 26 2.831 8.026 -1.844 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.928 8.771 -2.800 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.908 8.234 -0.946 1.00 0.00 N ATOM 0 H ASN A 26 6.180 7.009 -1.020 1.00 0.00 H new ATOM 0 HA ASN A 26 3.737 7.514 0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.654 6.969 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.290 5.919 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.268 9.022 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.827 7.609 -0.144 1.00 0.00 H new ATOM 428 N LYS A 27 2.561 5.019 0.235 1.00 0.00 N ATOM 429 CA LYS A 27 2.115 3.699 0.764 1.00 0.00 C ATOM 430 C LYS A 27 1.284 2.958 -0.290 1.00 0.00 C ATOM 431 O LYS A 27 0.417 3.522 -0.942 1.00 0.00 O ATOM 432 CB LYS A 27 1.270 3.908 2.025 1.00 0.00 C ATOM 433 CG LYS A 27 1.701 5.196 2.733 1.00 0.00 C ATOM 434 CD LYS A 27 0.900 6.378 2.183 1.00 0.00 C ATOM 435 CE LYS A 27 -0.090 6.863 3.243 1.00 0.00 C ATOM 436 NZ LYS A 27 0.643 7.165 4.505 1.00 0.00 N ATOM 0 H LYS A 27 1.828 5.591 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 27 2.994 3.102 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.214 3.964 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.386 3.057 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.540 5.103 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.767 5.366 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.573 7.188 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.366 6.080 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.610 7.753 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.848 6.101 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.221 7.999 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.579 6.350 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.642 7.358 4.289 1.00 0.00 H new ATOM 450 N LEU A 28 1.531 1.687 -0.452 1.00 0.00 N ATOM 451 CA LEU A 28 0.751 0.908 -1.446 1.00 0.00 C ATOM 452 C LEU A 28 -0.736 1.145 -1.177 1.00 0.00 C ATOM 453 O LEU A 28 -1.525 1.302 -2.087 1.00 0.00 O ATOM 454 CB LEU A 28 1.057 -0.581 -1.290 1.00 0.00 C ATOM 455 CG LEU A 28 1.363 -1.221 -2.645 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.437 -0.458 -3.410 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.832 -2.652 -2.406 1.00 0.00 C ATOM 0 H LEU A 28 2.237 1.159 0.060 1.00 0.00 H new ATOM 0 HA LEU A 28 1.014 1.222 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.907 -0.713 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.207 -1.085 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 28 0.456 -1.200 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.621 -0.949 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.102 0.564 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.358 -0.443 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.055 -3.126 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.729 -2.642 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.047 -3.212 -1.898 1.00 0.00 H new ATOM 469 N GLN A 29 -1.125 1.177 0.076 1.00 0.00 N ATOM 470 CA GLN A 29 -2.557 1.411 0.403 1.00 0.00 C ATOM 471 C GLN A 29 -3.038 2.646 -0.346 1.00 0.00 C ATOM 472 O GLN A 29 -4.086 2.641 -0.959 1.00 0.00 O ATOM 473 CB GLN A 29 -2.709 1.655 1.906 1.00 0.00 C ATOM 474 CG GLN A 29 -3.645 0.605 2.507 1.00 0.00 C ATOM 475 CD GLN A 29 -3.100 0.146 3.861 1.00 0.00 C ATOM 476 OE1 GLN A 29 -3.036 -1.036 4.135 1.00 0.00 O ATOM 477 NE2 GLN A 29 -2.702 1.039 4.727 1.00 0.00 N ATOM 0 H GLN A 29 -0.510 1.051 0.880 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.144 0.539 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.735 1.608 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.106 2.654 2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.645 1.022 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.734 -0.246 1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.756 2.031 4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.338 0.744 5.633 1.00 0.00 H new ATOM 486 N ILE A 30 -2.279 3.707 -0.312 1.00 0.00 N ATOM 487 CA ILE A 30 -2.715 4.926 -1.037 1.00 0.00 C ATOM 488 C ILE A 30 -2.795 4.600 -2.519 1.00 0.00 C ATOM 489 O ILE A 30 -3.736 4.957 -3.193 1.00 0.00 O ATOM 490 CB ILE A 30 -1.717 6.066 -0.798 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.510 7.372 -0.699 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.692 6.155 -1.945 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.593 8.573 -0.950 1.00 0.00 C ATOM 0 H ILE A 30 -1.389 3.780 0.180 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.692 5.247 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.163 5.882 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.322 7.368 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.966 7.454 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.003 6.972 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.140 5.217 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.213 6.339 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.171 9.494 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.796 8.584 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.158 8.497 -1.946 1.00 0.00 H new ATOM 505 N VAL A 31 -1.819 3.910 -3.029 1.00 0.00 N ATOM 506 CA VAL A 31 -1.876 3.558 -4.476 1.00 0.00 C ATOM 507 C VAL A 31 -3.208 2.877 -4.730 1.00 0.00 C ATOM 508 O VAL A 31 -3.982 3.268 -5.583 1.00 0.00 O ATOM 509 CB VAL A 31 -0.754 2.590 -4.846 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.555 2.618 -6.360 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.535 3.014 -4.147 1.00 0.00 C ATOM 0 H VAL A 31 -0.998 3.579 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.764 4.462 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.015 1.580 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.244 1.930 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.479 2.317 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.288 3.627 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.336 2.323 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.806 4.021 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.385 3.000 -3.067 1.00 0.00 H new ATOM 521 N PHE A 32 -3.473 1.857 -3.978 1.00 0.00 N ATOM 522 CA PHE A 32 -4.753 1.114 -4.137 1.00 0.00 C ATOM 523 C PHE A 32 -5.940 2.070 -3.994 1.00 0.00 C ATOM 524 O PHE A 32 -6.904 1.988 -4.728 1.00 0.00 O ATOM 525 CB PHE A 32 -4.837 0.044 -3.051 1.00 0.00 C ATOM 526 CG PHE A 32 -3.602 -0.835 -3.094 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.675 -0.704 -4.140 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.383 -1.783 -2.086 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.541 -1.517 -4.171 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.243 -2.596 -2.123 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.327 -2.462 -3.161 1.00 0.00 C ATOM 0 H PHE A 32 -2.854 1.498 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.785 0.655 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.925 0.514 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.731 -0.563 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.839 0.025 -4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.094 -1.887 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.828 -1.417 -4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.075 -3.327 -1.346 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.448 -3.089 -3.188 1.00 0.00 H new ATOM 541 N ASP A 33 -5.886 2.969 -3.049 1.00 0.00 N ATOM 542 CA ASP A 33 -7.025 3.915 -2.860 1.00 0.00 C ATOM 543 C ASP A 33 -7.145 4.845 -4.070 1.00 0.00 C ATOM 544 O ASP A 33 -8.224 5.078 -4.584 1.00 0.00 O ATOM 545 CB ASP A 33 -6.788 4.750 -1.600 1.00 0.00 C ATOM 546 CG ASP A 33 -7.914 4.495 -0.596 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.956 4.018 -1.014 1.00 0.00 O ATOM 548 OD2 ASP A 33 -7.715 4.780 0.572 1.00 0.00 O ATOM 0 H ASP A 33 -5.107 3.090 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.948 3.344 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.826 4.492 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.748 5.809 -1.855 1.00 0.00 H new ATOM 553 N PHE A 34 -6.050 5.389 -4.524 1.00 0.00 N ATOM 554 CA PHE A 34 -6.103 6.316 -5.688 1.00 0.00 C ATOM 555 C PHE A 34 -6.712 5.598 -6.897 1.00 0.00 C ATOM 556 O PHE A 34 -7.617 6.095 -7.537 1.00 0.00 O ATOM 557 CB PHE A 34 -4.667 6.786 -6.005 1.00 0.00 C ATOM 558 CG PHE A 34 -4.208 6.261 -7.349 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.720 6.810 -8.531 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.283 5.218 -7.406 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.302 6.311 -9.770 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.861 4.721 -8.641 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.372 5.267 -9.826 1.00 0.00 C ATOM 0 H PHE A 34 -5.119 5.231 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.726 7.179 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.629 7.875 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.988 6.442 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.436 7.617 -8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.892 4.794 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.697 6.732 -10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.142 3.917 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.048 4.882 -10.782 1.00 0.00 H new ATOM 573 N VAL A 35 -6.209 4.439 -7.224 1.00 0.00 N ATOM 574 CA VAL A 35 -6.762 3.716 -8.410 1.00 0.00 C ATOM 575 C VAL A 35 -8.229 3.385 -8.164 1.00 0.00 C ATOM 576 O VAL A 35 -9.085 3.699 -8.967 1.00 0.00 O ATOM 577 CB VAL A 35 -5.992 2.406 -8.682 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.956 2.641 -9.781 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.284 1.924 -7.413 1.00 0.00 C ATOM 0 H VAL A 35 -5.451 3.965 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.657 4.366 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.703 1.644 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.413 1.716 -9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.459 2.962 -10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.256 3.413 -9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.747 1.000 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.579 2.685 -7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.022 1.744 -6.631 1.00 0.00 H new ATOM 589 N ALA A 36 -8.534 2.760 -7.064 1.00 0.00 N ATOM 590 CA ALA A 36 -9.954 2.410 -6.789 1.00 0.00 C ATOM 591 C ALA A 36 -10.817 3.664 -6.889 1.00 0.00 C ATOM 592 O ALA A 36 -11.967 3.609 -7.277 1.00 0.00 O ATOM 593 CB ALA A 36 -10.070 1.802 -5.393 1.00 0.00 C ATOM 0 H ALA A 36 -7.866 2.477 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.299 1.682 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.110 1.546 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.458 0.902 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.725 2.523 -4.652 1.00 0.00 H new ATOM 599 N SER A 37 -10.272 4.799 -6.556 1.00 0.00 N ATOM 600 CA SER A 37 -11.062 6.055 -6.648 1.00 0.00 C ATOM 601 C SER A 37 -11.258 6.415 -8.123 1.00 0.00 C ATOM 602 O SER A 37 -12.058 7.263 -8.465 1.00 0.00 O ATOM 603 CB SER A 37 -10.312 7.184 -5.940 1.00 0.00 C ATOM 604 OG SER A 37 -11.181 7.811 -5.007 1.00 0.00 O ATOM 0 H SER A 37 -9.314 4.911 -6.224 1.00 0.00 H new ATOM 0 HA SER A 37 -12.032 5.915 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.434 6.789 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.955 7.912 -6.668 1.00 0.00 H new ATOM 0 HG SER A 37 -10.703 8.534 -4.550 1.00 0.00 H new ATOM 610 N LYS A 38 -10.523 5.782 -9.001 1.00 0.00 N ATOM 611 CA LYS A 38 -10.656 6.092 -10.452 1.00 0.00 C ATOM 612 C LYS A 38 -11.879 5.378 -11.044 1.00 0.00 C ATOM 613 O LYS A 38 -12.938 5.958 -11.182 1.00 0.00 O ATOM 614 CB LYS A 38 -9.392 5.632 -11.182 1.00 0.00 C ATOM 615 CG LYS A 38 -8.642 6.850 -11.729 1.00 0.00 C ATOM 616 CD LYS A 38 -8.528 7.916 -10.638 1.00 0.00 C ATOM 617 CE LYS A 38 -7.266 8.748 -10.866 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.648 10.123 -11.292 1.00 0.00 N ATOM 0 H LYS A 38 -9.836 5.063 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.787 7.167 -10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.750 5.073 -10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.656 4.958 -11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.649 6.556 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.168 7.255 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.408 8.560 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.492 7.444 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.675 8.790 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.642 8.280 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.790 10.689 -11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.195 10.073 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.227 10.568 -10.551 1.00 0.00 H new ATOM 632 N GLY A 39 -11.739 4.131 -11.413 1.00 0.00 N ATOM 633 CA GLY A 39 -12.893 3.395 -12.017 1.00 0.00 C ATOM 634 C GLY A 39 -13.202 2.129 -11.207 1.00 0.00 C ATOM 635 O GLY A 39 -14.221 1.491 -11.387 1.00 0.00 O ATOM 0 H GLY A 39 -10.879 3.591 -11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.771 4.041 -12.044 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.663 3.128 -13.048 1.00 0.00 H new ATOM 745 N LYS A 46 -6.658 -6.257 -7.239 1.00 0.00 N ATOM 746 CA LYS A 46 -5.215 -6.481 -6.960 1.00 0.00 C ATOM 747 C LYS A 46 -4.454 -6.003 -8.191 1.00 0.00 C ATOM 748 O LYS A 46 -4.746 -6.402 -9.298 1.00 0.00 O ATOM 749 CB LYS A 46 -4.949 -7.971 -6.722 1.00 0.00 C ATOM 750 CG LYS A 46 -6.191 -8.626 -6.112 1.00 0.00 C ATOM 751 CD LYS A 46 -6.601 -7.871 -4.845 1.00 0.00 C ATOM 752 CE LYS A 46 -8.115 -7.972 -4.659 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.519 -7.191 -3.458 1.00 0.00 N ATOM 0 HA LYS A 46 -4.899 -5.941 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.693 -8.459 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.096 -8.096 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.009 -8.619 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.985 -9.670 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.089 -8.289 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.302 -6.825 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.627 -7.592 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.410 -9.015 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.549 -7.259 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.040 -7.573 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.251 -6.194 -3.586 1.00 0.00 H new ATOM 767 N LEU A 47 -3.502 -5.133 -8.022 1.00 0.00 N ATOM 768 CA LEU A 47 -2.768 -4.624 -9.208 1.00 0.00 C ATOM 769 C LEU A 47 -1.546 -5.502 -9.459 1.00 0.00 C ATOM 770 O LEU A 47 -0.893 -5.943 -8.543 1.00 0.00 O ATOM 771 CB LEU A 47 -2.321 -3.190 -8.941 1.00 0.00 C ATOM 772 CG LEU A 47 -3.546 -2.296 -8.746 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.252 -1.268 -7.658 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.856 -1.587 -10.062 1.00 0.00 C ATOM 0 H LEU A 47 -3.203 -4.755 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.417 -4.647 -10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.689 -3.155 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.721 -2.825 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.404 -2.897 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.123 -0.629 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.023 -1.782 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.399 -0.658 -7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.729 -0.947 -9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.001 -0.980 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.060 -2.328 -10.835 1.00 0.00 H new ATOM 786 N LEU A 48 -1.245 -5.773 -10.696 1.00 0.00 N ATOM 787 CA LEU A 48 -0.075 -6.635 -11.011 1.00 0.00 C ATOM 788 C LEU A 48 1.095 -5.761 -11.461 1.00 0.00 C ATOM 789 O LEU A 48 1.011 -5.062 -12.451 1.00 0.00 O ATOM 790 CB LEU A 48 -0.459 -7.606 -12.135 1.00 0.00 C ATOM 791 CG LEU A 48 0.791 -8.257 -12.741 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.418 -7.308 -13.766 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.810 -8.565 -11.638 1.00 0.00 C ATOM 0 H LEU A 48 -1.762 -5.433 -11.507 1.00 0.00 H new ATOM 0 HA LEU A 48 0.220 -7.198 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.124 -8.377 -11.745 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.010 -7.073 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 48 0.505 -9.187 -13.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.306 -7.772 -14.196 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.698 -7.100 -14.558 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.697 -6.375 -13.275 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.694 -9.027 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.095 -7.640 -11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.366 -9.248 -10.913 1.00 0.00 H new ATOM 805 N SER A 49 2.192 -5.794 -10.750 1.00 0.00 N ATOM 806 CA SER A 49 3.354 -4.962 -11.165 1.00 0.00 C ATOM 807 C SER A 49 4.031 -5.639 -12.357 1.00 0.00 C ATOM 808 O SER A 49 4.438 -6.787 -12.284 1.00 0.00 O ATOM 809 CB SER A 49 4.347 -4.833 -10.010 1.00 0.00 C ATOM 810 OG SER A 49 4.250 -5.977 -9.174 1.00 0.00 O ATOM 0 H SER A 49 2.331 -6.355 -9.910 1.00 0.00 H new ATOM 0 HA SER A 49 3.015 -3.964 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.361 -4.737 -10.397 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.138 -3.930 -9.436 1.00 0.00 H new ATOM 0 HG SER A 49 3.854 -6.718 -9.678 1.00 0.00 H new ATOM 816 N THR A 50 4.126 -4.942 -13.459 1.00 0.00 N ATOM 817 CA THR A 50 4.742 -5.532 -14.682 1.00 0.00 C ATOM 818 C THR A 50 6.265 -5.593 -14.552 1.00 0.00 C ATOM 819 O THR A 50 6.869 -6.617 -14.803 1.00 0.00 O ATOM 820 CB THR A 50 4.372 -4.675 -15.895 1.00 0.00 C ATOM 821 OG1 THR A 50 5.031 -3.419 -15.803 1.00 0.00 O ATOM 822 CG2 THR A 50 2.858 -4.458 -15.929 1.00 0.00 C ATOM 0 H THR A 50 3.800 -3.981 -13.564 1.00 0.00 H new ATOM 0 HA THR A 50 4.364 -6.547 -14.807 1.00 0.00 H new ATOM 0 HB THR A 50 4.683 -5.184 -16.808 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.551 -2.843 -15.172 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.597 -3.848 -16.794 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.354 -5.422 -16.000 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.543 -3.950 -15.018 1.00 0.00 H new ATOM 830 N PHE A 51 6.900 -4.508 -14.188 1.00 0.00 N ATOM 831 CA PHE A 51 8.387 -4.528 -14.076 1.00 0.00 C ATOM 832 C PHE A 51 8.829 -5.826 -13.390 1.00 0.00 C ATOM 833 O PHE A 51 9.503 -6.634 -13.998 1.00 0.00 O ATOM 834 CB PHE A 51 8.875 -3.312 -13.287 1.00 0.00 C ATOM 835 CG PHE A 51 9.637 -2.390 -14.208 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.980 -1.766 -15.275 1.00 0.00 C ATOM 837 CD2 PHE A 51 11.001 -2.159 -13.994 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.687 -0.912 -16.129 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.707 -1.303 -14.848 1.00 0.00 C ATOM 840 CZ PHE A 51 11.050 -0.679 -15.916 1.00 0.00 C ATOM 0 H PHE A 51 6.456 -3.617 -13.965 1.00 0.00 H new ATOM 0 HA PHE A 51 8.825 -4.485 -15.073 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.028 -2.786 -12.847 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.514 -3.631 -12.464 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.927 -1.944 -15.439 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.508 -2.641 -13.171 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.180 -0.432 -16.953 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.759 -1.124 -14.683 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.595 -0.019 -16.574 1.00 0.00 H new ATOM 850 N PRO A 52 8.426 -6.012 -12.155 1.00 0.00 N ATOM 851 CA PRO A 52 8.765 -7.230 -11.403 1.00 0.00 C ATOM 852 C PRO A 52 7.818 -8.360 -11.819 1.00 0.00 C ATOM 853 O PRO A 52 8.076 -9.523 -11.578 1.00 0.00 O ATOM 854 CB PRO A 52 8.516 -6.840 -9.947 1.00 0.00 C ATOM 855 CG PRO A 52 7.515 -5.663 -9.982 1.00 0.00 C ATOM 856 CD PRO A 52 7.610 -5.043 -11.390 1.00 0.00 C ATOM 0 HA PRO A 52 9.784 -7.578 -11.574 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.110 -7.680 -9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.445 -6.547 -9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.502 -6.010 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.758 -4.925 -9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.624 -4.912 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.080 -4.060 -11.362 1.00 0.00 H new ATOM 864 N ARG A 53 6.715 -8.017 -12.431 1.00 0.00 N ATOM 865 CA ARG A 53 5.736 -9.057 -12.854 1.00 0.00 C ATOM 866 C ARG A 53 5.249 -9.805 -11.615 1.00 0.00 C ATOM 867 O ARG A 53 5.250 -11.019 -11.568 1.00 0.00 O ATOM 868 CB ARG A 53 6.411 -10.039 -13.815 1.00 0.00 C ATOM 869 CG ARG A 53 5.481 -10.312 -14.999 1.00 0.00 C ATOM 870 CD ARG A 53 6.305 -10.802 -16.192 1.00 0.00 C ATOM 871 NE ARG A 53 6.265 -9.781 -17.277 1.00 0.00 N ATOM 872 CZ ARG A 53 7.197 -9.761 -18.191 1.00 0.00 C ATOM 873 NH1 ARG A 53 7.635 -10.878 -18.703 1.00 0.00 N ATOM 874 NH2 ARG A 53 7.690 -8.621 -18.593 1.00 0.00 N ATOM 0 H ARG A 53 6.451 -7.058 -12.656 1.00 0.00 H new ATOM 0 HA ARG A 53 4.892 -8.588 -13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.356 -9.627 -14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.642 -10.970 -13.298 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.737 -11.060 -14.726 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.939 -9.405 -15.266 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.335 -10.983 -15.886 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.909 -11.750 -16.556 1.00 0.00 H new ATOM 0 HE ARG A 53 5.509 -9.097 -17.305 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.249 -11.769 -18.389 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.363 -10.861 -19.417 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.347 -7.748 -18.193 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.418 -8.604 -19.307 1.00 0.00 H new ATOM 888 N ARG A 54 4.841 -9.088 -10.602 1.00 0.00 N ATOM 889 CA ARG A 54 4.367 -9.765 -9.362 1.00 0.00 C ATOM 890 C ARG A 54 3.080 -9.107 -8.858 1.00 0.00 C ATOM 891 O ARG A 54 2.727 -8.018 -9.264 1.00 0.00 O ATOM 892 CB ARG A 54 5.450 -9.666 -8.286 1.00 0.00 C ATOM 893 CG ARG A 54 5.519 -8.233 -7.753 1.00 0.00 C ATOM 894 CD ARG A 54 6.812 -8.049 -6.954 1.00 0.00 C ATOM 895 NE ARG A 54 6.784 -8.926 -5.749 1.00 0.00 N ATOM 896 CZ ARG A 54 7.819 -9.665 -5.455 1.00 0.00 C ATOM 897 NH1 ARG A 54 7.860 -10.912 -5.835 1.00 0.00 N ATOM 898 NH2 ARG A 54 8.813 -9.155 -4.779 1.00 0.00 N ATOM 0 H ARG A 54 4.816 -8.069 -10.580 1.00 0.00 H new ATOM 0 HA ARG A 54 4.162 -10.813 -9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.231 -10.357 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.415 -9.957 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.486 -7.524 -8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.655 -8.026 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.673 -8.295 -7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.922 -7.007 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 54 5.956 -8.949 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.083 -11.310 -6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.669 -11.489 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.780 -8.180 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.622 -9.732 -4.549 1.00 0.00 H new ATOM 912 N ASP A 55 2.379 -9.763 -7.970 1.00 0.00 N ATOM 913 CA ASP A 55 1.119 -9.177 -7.432 1.00 0.00 C ATOM 914 C ASP A 55 1.427 -7.818 -6.803 1.00 0.00 C ATOM 915 O ASP A 55 1.802 -7.732 -5.656 1.00 0.00 O ATOM 916 CB ASP A 55 0.531 -10.111 -6.372 1.00 0.00 C ATOM 917 CG ASP A 55 -0.993 -10.133 -6.498 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.477 -10.602 -7.515 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.651 -9.682 -5.575 1.00 0.00 O ATOM 0 H ASP A 55 2.626 -10.679 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 55 0.398 -9.052 -8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.931 -11.117 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.819 -9.775 -5.376 1.00 0.00 H new ATOM 924 N VAL A 56 1.264 -6.765 -7.561 1.00 0.00 N ATOM 925 CA VAL A 56 1.533 -5.383 -7.060 1.00 0.00 C ATOM 926 C VAL A 56 2.846 -5.334 -6.280 1.00 0.00 C ATOM 927 O VAL A 56 2.981 -5.891 -5.217 1.00 0.00 O ATOM 928 CB VAL A 56 0.355 -4.880 -6.212 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.540 -5.253 -4.744 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.253 -3.357 -6.335 1.00 0.00 C ATOM 0 H VAL A 56 0.948 -6.806 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 56 1.636 -4.717 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.558 -5.350 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.308 -4.885 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.601 -6.337 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.459 -4.803 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.583 -2.999 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.177 -2.901 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.092 -3.086 -7.378 1.00 0.00 H new ATOM 940 N THR A 57 3.801 -4.655 -6.843 1.00 0.00 N ATOM 941 CA THR A 57 5.156 -4.501 -6.234 1.00 0.00 C ATOM 942 C THR A 57 5.229 -4.983 -4.774 1.00 0.00 C ATOM 943 O THR A 57 5.120 -4.211 -3.847 1.00 0.00 O ATOM 944 CB THR A 57 5.558 -3.025 -6.304 1.00 0.00 C ATOM 945 OG1 THR A 57 6.468 -2.730 -5.257 1.00 0.00 O ATOM 946 CG2 THR A 57 4.311 -2.144 -6.170 1.00 0.00 C ATOM 0 H THR A 57 3.696 -4.179 -7.739 1.00 0.00 H new ATOM 0 HA THR A 57 5.842 -5.130 -6.802 1.00 0.00 H new ATOM 0 HB THR A 57 6.036 -2.826 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.383 -2.907 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.600 -1.094 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.618 -2.369 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.827 -2.342 -5.214 1.00 0.00 H new ATOM 954 N GLN A 58 5.469 -6.254 -4.580 1.00 0.00 N ATOM 955 CA GLN A 58 5.635 -6.810 -3.194 1.00 0.00 C ATOM 956 C GLN A 58 4.307 -6.985 -2.445 1.00 0.00 C ATOM 957 O GLN A 58 4.268 -7.615 -1.407 1.00 0.00 O ATOM 958 CB GLN A 58 6.538 -5.874 -2.389 1.00 0.00 C ATOM 959 CG GLN A 58 7.777 -6.639 -1.920 1.00 0.00 C ATOM 960 CD GLN A 58 8.361 -5.956 -0.682 1.00 0.00 C ATOM 961 OE1 GLN A 58 9.527 -5.618 -0.653 1.00 0.00 O ATOM 962 NE2 GLN A 58 7.592 -5.736 0.350 1.00 0.00 N ATOM 0 H GLN A 58 5.559 -6.942 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 58 6.075 -7.802 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.834 -5.022 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.996 -5.478 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.514 -7.671 -1.689 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.521 -6.670 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.613 -6.020 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.971 -5.280 1.180 1.00 0.00 H new ATOM 971 N LEU A 59 3.227 -6.450 -2.930 1.00 0.00 N ATOM 972 CA LEU A 59 1.937 -6.621 -2.200 1.00 0.00 C ATOM 973 C LEU A 59 1.994 -5.875 -0.867 1.00 0.00 C ATOM 974 O LEU A 59 2.859 -5.052 -0.639 1.00 0.00 O ATOM 975 CB LEU A 59 1.689 -8.109 -1.942 1.00 0.00 C ATOM 976 CG LEU A 59 0.630 -8.622 -2.916 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.766 -10.138 -3.065 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.763 -8.284 -2.378 1.00 0.00 C ATOM 0 H LEU A 59 3.176 -5.906 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 59 1.126 -6.216 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.615 -8.670 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.359 -8.261 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 59 0.769 -8.148 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.010 -10.505 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.758 -10.378 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.627 -10.613 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.520 -8.650 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.903 -8.758 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.860 -7.204 -2.272 1.00 0.00 H new ATOM 990 N ASP A 60 1.072 -6.152 0.015 1.00 0.00 N ATOM 991 CA ASP A 60 1.065 -5.455 1.330 1.00 0.00 C ATOM 992 C ASP A 60 0.590 -4.012 1.133 1.00 0.00 C ATOM 993 O ASP A 60 1.387 -3.121 0.903 1.00 0.00 O ATOM 994 CB ASP A 60 2.476 -5.457 1.917 1.00 0.00 C ATOM 995 CG ASP A 60 2.471 -6.188 3.261 1.00 0.00 C ATOM 996 OD1 ASP A 60 1.397 -6.372 3.810 1.00 0.00 O ATOM 997 OD2 ASP A 60 3.542 -6.549 3.719 1.00 0.00 O ATOM 0 H ASP A 60 0.323 -6.832 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 60 0.391 -5.970 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.166 -5.945 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.827 -4.434 2.049 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.702 -3.824 1.232 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.326 -2.502 1.058 1.00 0.00 C ATOM 1004 C PRO A 61 -0.970 -1.588 2.226 1.00 0.00 C ATOM 1005 O PRO A 61 -1.220 -0.401 2.200 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.829 -2.809 1.020 1.00 0.00 C ATOM 1007 CG PRO A 61 -3.005 -4.185 1.699 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.653 -4.909 1.559 1.00 0.00 C ATOM 0 HA PRO A 61 -0.990 -1.981 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.397 -2.041 1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.196 -2.831 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.278 -4.069 2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.803 -4.755 1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.375 -5.419 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.683 -5.664 0.774 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.371 -2.136 3.239 1.00 0.00 N ATOM 1017 CA ASN A 62 0.015 -1.307 4.414 1.00 0.00 C ATOM 1018 C ASN A 62 1.515 -1.028 4.364 1.00 0.00 C ATOM 1019 O ASN A 62 2.068 -0.393 5.242 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.321 -2.059 5.704 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.614 -2.853 5.510 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -1.697 -3.698 4.641 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -2.634 -2.616 6.289 1.00 0.00 N ATOM 0 H ASN A 62 -0.130 -3.125 3.307 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.533 -0.365 4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.495 -2.732 5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.434 -1.355 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.501 -3.140 6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.564 -1.907 7.019 1.00 0.00 H new ATOM 1030 N LYS A 63 2.183 -1.495 3.346 1.00 0.00 N ATOM 1031 CA LYS A 63 3.645 -1.252 3.248 1.00 0.00 C ATOM 1032 C LYS A 63 3.899 0.068 2.519 1.00 0.00 C ATOM 1033 O LYS A 63 3.059 0.563 1.793 1.00 0.00 O ATOM 1034 CB LYS A 63 4.309 -2.395 2.477 1.00 0.00 C ATOM 1035 CG LYS A 63 4.758 -3.479 3.459 1.00 0.00 C ATOM 1036 CD LYS A 63 6.256 -3.740 3.284 1.00 0.00 C ATOM 1037 CE LYS A 63 6.684 -4.895 4.190 1.00 0.00 C ATOM 1038 NZ LYS A 63 6.123 -6.173 3.667 1.00 0.00 N ATOM 0 H LYS A 63 1.778 -2.033 2.580 1.00 0.00 H new ATOM 0 HA LYS A 63 4.067 -1.200 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.611 -2.813 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.165 -2.020 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.550 -3.166 4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.196 -4.397 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.475 -3.980 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.823 -2.842 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.772 -4.954 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.334 -4.722 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.751 -6.960 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.181 -6.332 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.045 -6.120 2.631 1.00 0.00 H new ATOM 1052 N SER A 64 5.060 0.631 2.698 1.00 0.00 N ATOM 1053 CA SER A 64 5.387 1.908 2.011 1.00 0.00 C ATOM 1054 C SER A 64 6.012 1.549 0.669 1.00 0.00 C ATOM 1055 O SER A 64 6.234 0.390 0.385 1.00 0.00 O ATOM 1056 CB SER A 64 6.376 2.714 2.850 1.00 0.00 C ATOM 1057 OG SER A 64 7.699 2.415 2.430 1.00 0.00 O ATOM 0 H SER A 64 5.800 0.259 3.294 1.00 0.00 H new ATOM 0 HA SER A 64 4.492 2.514 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.179 3.780 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.254 2.475 3.906 1.00 0.00 H new ATOM 0 HG SER A 64 8.303 3.131 2.717 1.00 0.00 H new ATOM 1063 N LEU A 65 6.271 2.501 -0.180 1.00 0.00 N ATOM 1064 CA LEU A 65 6.840 2.135 -1.501 1.00 0.00 C ATOM 1065 C LEU A 65 8.289 1.705 -1.331 1.00 0.00 C ATOM 1066 O LEU A 65 8.703 0.711 -1.875 1.00 0.00 O ATOM 1067 CB LEU A 65 6.741 3.322 -2.451 1.00 0.00 C ATOM 1068 CG LEU A 65 5.298 3.431 -2.942 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.160 4.636 -3.860 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.917 2.163 -3.714 1.00 0.00 C ATOM 0 H LEU A 65 6.117 3.497 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 65 6.276 1.304 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.039 4.239 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.419 3.190 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 65 4.637 3.547 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.130 4.712 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.426 5.541 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.825 4.520 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.887 2.245 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.581 2.045 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.011 1.296 -3.059 1.00 0.00 H new ATOM 1082 N LEU A 66 9.064 2.420 -0.573 1.00 0.00 N ATOM 1083 CA LEU A 66 10.480 1.999 -0.381 1.00 0.00 C ATOM 1084 C LEU A 66 10.521 0.522 0.016 1.00 0.00 C ATOM 1085 O LEU A 66 11.303 -0.248 -0.507 1.00 0.00 O ATOM 1086 CB LEU A 66 11.113 2.844 0.731 1.00 0.00 C ATOM 1087 CG LEU A 66 12.009 3.953 0.152 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.583 4.321 -1.274 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.889 5.192 1.038 1.00 0.00 C ATOM 0 H LEU A 66 8.786 3.269 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 66 11.034 2.142 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.329 3.290 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.702 2.203 1.386 1.00 0.00 H new ATOM 0 HG LEU A 66 13.037 3.591 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.234 5.107 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.659 3.442 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.552 4.676 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.519 5.987 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.852 5.527 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.210 4.948 2.051 1.00 0.00 H new ATOM 1101 N GLU A 67 9.681 0.116 0.925 1.00 0.00 N ATOM 1102 CA GLU A 67 9.689 -1.320 1.340 1.00 0.00 C ATOM 1103 C GLU A 67 9.382 -2.178 0.119 1.00 0.00 C ATOM 1104 O GLU A 67 9.900 -3.266 -0.033 1.00 0.00 O ATOM 1105 CB GLU A 67 8.631 -1.609 2.421 1.00 0.00 C ATOM 1106 CG GLU A 67 8.068 -0.316 3.007 1.00 0.00 C ATOM 1107 CD GLU A 67 9.200 0.498 3.640 1.00 0.00 C ATOM 1108 OE1 GLU A 67 9.542 0.213 4.777 1.00 0.00 O ATOM 1109 OE2 GLU A 67 9.708 1.390 2.981 1.00 0.00 O ATOM 0 H GLU A 67 8.995 0.706 1.396 1.00 0.00 H new ATOM 0 HA GLU A 67 10.671 -1.550 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.821 -2.199 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.075 -2.208 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.580 0.267 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.309 -0.544 3.755 1.00 0.00 H new ATOM 1116 N VAL A 68 8.549 -1.696 -0.761 1.00 0.00 N ATOM 1117 CA VAL A 68 8.229 -2.499 -1.974 1.00 0.00 C ATOM 1118 C VAL A 68 9.033 -1.980 -3.174 1.00 0.00 C ATOM 1119 O VAL A 68 8.892 -2.463 -4.278 1.00 0.00 O ATOM 1120 CB VAL A 68 6.729 -2.453 -2.273 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.971 -3.187 -1.169 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.227 -1.011 -2.347 1.00 0.00 C ATOM 0 H VAL A 68 8.081 -0.792 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 68 8.505 -3.537 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 68 6.557 -2.932 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.902 -3.156 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.303 -4.224 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.167 -2.705 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.158 -1.008 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.408 -0.513 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.757 -0.482 -3.139 1.00 0.00 H new ATOM 1132 N LYS A 69 9.876 -1.004 -2.956 1.00 0.00 N ATOM 1133 CA LYS A 69 10.716 -0.445 -4.058 1.00 0.00 C ATOM 1134 C LYS A 69 9.905 -0.293 -5.347 1.00 0.00 C ATOM 1135 O LYS A 69 10.069 -1.029 -6.298 1.00 0.00 O ATOM 1136 CB LYS A 69 11.944 -1.343 -4.299 1.00 0.00 C ATOM 1137 CG LYS A 69 11.526 -2.751 -4.747 1.00 0.00 C ATOM 1138 CD LYS A 69 11.305 -3.643 -3.524 1.00 0.00 C ATOM 1139 CE LYS A 69 10.172 -4.632 -3.815 1.00 0.00 C ATOM 1140 NZ LYS A 69 10.719 -6.018 -3.844 1.00 0.00 N ATOM 0 H LYS A 69 10.020 -0.564 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 69 11.056 0.546 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.583 -0.892 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.533 -1.410 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.612 -2.697 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.296 -3.182 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.221 -4.183 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.056 -3.033 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.398 -4.551 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.703 -4.394 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.055 -6.643 -4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.635 -6.020 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.850 -6.360 -2.871 1.00 0.00 H new ATOM 1207 N GLN A 73 10.285 4.493 -12.863 1.00 0.00 N ATOM 1208 CA GLN A 73 9.187 4.325 -13.860 1.00 0.00 C ATOM 1209 C GLN A 73 8.643 2.898 -13.784 1.00 0.00 C ATOM 1210 O GLN A 73 9.330 1.948 -14.106 1.00 0.00 O ATOM 1211 CB GLN A 73 9.730 4.588 -15.266 1.00 0.00 C ATOM 1212 CG GLN A 73 10.818 5.662 -15.201 1.00 0.00 C ATOM 1213 CD GLN A 73 10.952 6.336 -16.568 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.363 5.898 -17.536 1.00 0.00 O ATOM 1215 NE2 GLN A 73 11.710 7.393 -16.689 1.00 0.00 N ATOM 0 HA GLN A 73 8.387 5.032 -13.641 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.136 3.669 -15.688 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.924 4.912 -15.924 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.568 6.403 -14.441 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.768 5.215 -14.909 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.205 7.761 -15.877 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.807 7.850 -17.596 1.00 0.00 H new ATOM 1224 N GLU A 74 7.420 2.730 -13.354 1.00 0.00 N ATOM 1225 CA GLU A 74 6.860 1.349 -13.260 1.00 0.00 C ATOM 1226 C GLU A 74 5.417 1.322 -13.779 1.00 0.00 C ATOM 1227 O GLU A 74 4.688 2.285 -13.666 1.00 0.00 O ATOM 1228 CB GLU A 74 6.893 0.889 -11.799 1.00 0.00 C ATOM 1229 CG GLU A 74 8.287 0.355 -11.464 1.00 0.00 C ATOM 1230 CD GLU A 74 8.159 -0.888 -10.583 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.408 -0.836 -9.622 1.00 0.00 O ATOM 1232 OE2 GLU A 74 8.815 -1.872 -10.883 1.00 0.00 O ATOM 0 H GLU A 74 6.791 3.480 -13.067 1.00 0.00 H new ATOM 0 HA GLU A 74 7.462 0.677 -13.871 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.642 1.720 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.145 0.113 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.824 0.110 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.867 1.121 -10.949 1.00 0.00 H new ATOM 1239 N THR A 75 5.000 0.223 -14.351 1.00 0.00 N ATOM 1240 CA THR A 75 3.604 0.135 -14.872 1.00 0.00 C ATOM 1241 C THR A 75 2.871 -1.007 -14.163 1.00 0.00 C ATOM 1242 O THR A 75 3.396 -2.092 -14.008 1.00 0.00 O ATOM 1243 CB THR A 75 3.625 -0.132 -16.379 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.232 0.966 -17.046 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.192 -0.310 -16.885 1.00 0.00 C ATOM 0 H THR A 75 5.565 -0.616 -14.480 1.00 0.00 H new ATOM 0 HA THR A 75 3.090 1.077 -14.683 1.00 0.00 H new ATOM 0 HB THR A 75 4.196 -1.039 -16.580 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.247 0.795 -18.011 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.206 -0.500 -17.958 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.727 -1.153 -16.373 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.620 0.596 -16.685 1.00 0.00 H new ATOM 1253 N LEU A 76 1.665 -0.770 -13.723 1.00 0.00 N ATOM 1254 CA LEU A 76 0.905 -1.839 -13.014 1.00 0.00 C ATOM 1255 C LEU A 76 -0.348 -2.211 -13.812 1.00 0.00 C ATOM 1256 O LEU A 76 -0.773 -1.493 -14.690 1.00 0.00 O ATOM 1257 CB LEU A 76 0.487 -1.331 -11.635 1.00 0.00 C ATOM 1258 CG LEU A 76 1.296 -2.048 -10.556 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.571 -1.089 -9.400 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.499 -3.244 -10.040 1.00 0.00 C ATOM 0 H LEU A 76 1.173 0.118 -13.824 1.00 0.00 H new ATOM 0 HA LEU A 76 1.540 -2.719 -12.911 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.648 -0.255 -11.569 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.578 -1.504 -11.480 1.00 0.00 H new ATOM 0 HG LEU A 76 2.242 -2.389 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.148 -1.602 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.135 -0.231 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.626 -0.748 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.073 -3.759 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.445 -2.898 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.299 -3.930 -10.863 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.945 -3.330 -13.507 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.181 -3.746 -14.233 1.00 0.00 C ATOM 1274 C PHE A 77 -3.297 -3.976 -13.208 1.00 0.00 C ATOM 1275 O PHE A 77 -3.047 -4.400 -12.102 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.916 -5.045 -15.001 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.949 -4.797 -16.140 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.830 -3.522 -16.713 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.173 -5.855 -16.629 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.065 -3.309 -17.770 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.722 -5.640 -17.685 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.840 -4.368 -18.254 1.00 0.00 C ATOM 0 H PHE A 77 -0.630 -3.977 -12.784 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.476 -2.970 -14.939 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.508 -5.797 -14.326 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.853 -5.442 -15.391 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.428 -2.704 -16.339 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.265 -6.838 -16.191 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.156 -2.327 -18.211 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.321 -6.457 -18.060 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.530 -4.203 -19.068 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.526 -3.698 -13.550 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.627 -3.911 -12.565 1.00 0.00 C ATOM 1294 C LEU A 78 -6.095 -5.363 -12.639 1.00 0.00 C ATOM 1295 O LEU A 78 -6.400 -5.879 -13.696 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.801 -2.974 -12.874 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.291 -2.311 -11.577 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.342 -0.801 -11.756 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.700 -2.796 -11.231 1.00 0.00 C ATOM 0 H LEU A 78 -4.814 -3.336 -14.459 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.259 -3.694 -11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.492 -2.212 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.614 -3.534 -13.337 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.600 -2.576 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.690 -0.337 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.346 -0.429 -11.996 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.027 -0.554 -12.567 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.033 -2.318 -10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.382 -2.539 -12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.689 -3.877 -11.095 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.160 -6.023 -11.518 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.614 -7.441 -11.502 1.00 0.00 C ATOM 1313 C GLU A 79 -7.831 -7.545 -10.588 1.00 0.00 C ATOM 1314 O GLU A 79 -7.848 -6.999 -9.506 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.491 -8.333 -10.967 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.282 -9.515 -11.916 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.655 -9.019 -13.221 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -4.022 -7.977 -13.192 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.819 -9.691 -14.226 1.00 0.00 O ATOM 0 H GLU A 79 -5.916 -5.638 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.873 -7.765 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.569 -7.759 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.743 -8.694 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.636 -10.259 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.235 -10.003 -12.121 1.00 0.00 H new