USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 18 HIS :FLIP no HE2:sc= 0 F(o=-0.74,f=-0.24) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.3) USER MOD Set 2.1: A 9 MET CE :methyl -157:sc= -0.337 (180deg=-1.18) USER MOD Set 2.2: A 69 MET CE :methyl 137:sc= -0.113 (180deg=-4.03!) USER MOD Set 3.1: A 5 THR OG1 : rot -117:sc= 0.172 USER MOD Set 3.2: A 37 HIS : no HE2:sc= -0.998 X(o=-0.83,f=-0.76) USER MOD Single : A 2 MET CE :methyl 148:sc= -0.871 (180deg=-2.15) USER MOD Single : A 3 ASN : amide:sc= -0.995 K(o=-1,f=-8.7!) USER MOD Single : A 6 SER OG : rot -25:sc= -0.818 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.672 K(o=-0.67,f=-6.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.027) USER MOD Single : A 55 THR OG1 : rot -53:sc= 0.714 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.0314 (180deg=-0.231) USER MOD Single : A 66 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-4.7!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.797 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -3.66 X(o=-3.7,f=-4!) USER MOD Single : A 85 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -29.956 -16.565 -14.143 1.00 0.00 N ATOM 18 CA MET A 2 -29.607 -16.755 -15.546 1.00 0.00 C ATOM 19 C MET A 2 -29.830 -18.202 -15.972 1.00 0.00 C ATOM 20 O MET A 2 -30.182 -19.053 -15.154 1.00 0.00 O ATOM 21 CB MET A 2 -28.151 -16.357 -15.793 1.00 0.00 C ATOM 22 CG MET A 2 -27.175 -16.970 -14.804 1.00 0.00 C ATOM 23 SD MET A 2 -26.756 -18.675 -15.209 1.00 0.00 S ATOM 24 CE MET A 2 -26.899 -19.449 -13.600 1.00 0.00 C ATOM 0 HA MET A 2 -30.256 -16.115 -16.143 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.868 -16.656 -16.802 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.067 -15.271 -15.747 1.00 0.00 H new ATOM 0 HG2 MET A 2 -26.264 -16.372 -14.780 1.00 0.00 H new ATOM 0 HG3 MET A 2 -27.606 -16.934 -13.804 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.233 -20.479 -13.720 1.00 0.00 H new ATOM 0 HE2 MET A 2 -25.929 -19.438 -13.103 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.622 -18.901 -12.996 1.00 0.00 H new ATOM 34 N ASN A 3 -29.630 -18.473 -17.257 1.00 0.00 N ATOM 35 CA ASN A 3 -29.816 -19.817 -17.793 1.00 0.00 C ATOM 36 C ASN A 3 -28.495 -20.419 -18.263 1.00 0.00 C ATOM 37 O ASN A 3 -27.649 -19.726 -18.828 1.00 0.00 O ATOM 38 CB ASN A 3 -30.815 -19.790 -18.952 1.00 0.00 C ATOM 39 CG ASN A 3 -31.349 -21.169 -19.287 1.00 0.00 C ATOM 40 OD1 ASN A 3 -30.772 -22.183 -18.894 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.456 -21.212 -20.017 1.00 0.00 N ATOM 0 H ASN A 3 -29.339 -17.780 -17.947 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.207 -20.443 -16.991 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.647 -19.134 -18.696 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.334 -19.366 -19.833 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -32.863 -22.111 -20.274 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -32.901 -20.346 -20.321 1.00 0.00 H new ATOM 48 N ILE A 4 -28.332 -21.718 -18.033 1.00 0.00 N ATOM 49 CA ILE A 4 -27.125 -22.428 -18.437 1.00 0.00 C ATOM 50 C ILE A 4 -27.481 -23.714 -19.177 1.00 0.00 C ATOM 51 O ILE A 4 -28.205 -24.561 -18.652 1.00 0.00 O ATOM 52 CB ILE A 4 -26.236 -22.777 -17.225 1.00 0.00 C ATOM 53 CG1 ILE A 4 -26.011 -21.540 -16.352 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.907 -23.352 -17.695 1.00 0.00 C ATOM 55 CD1 ILE A 4 -25.075 -21.780 -15.184 1.00 0.00 C ATOM 0 H ILE A 4 -29.025 -22.303 -17.566 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.570 -21.762 -19.098 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.745 -23.530 -16.624 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.608 -20.738 -16.971 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.972 -21.196 -15.971 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.289 -23.594 -16.830 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -25.087 -24.256 -18.277 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.392 -22.618 -18.315 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.964 -20.859 -14.611 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.486 -22.559 -14.542 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.100 -22.095 -15.557 1.00 0.00 H new ATOM 67 N THR A 5 -26.972 -23.856 -20.397 1.00 0.00 N ATOM 68 CA THR A 5 -27.242 -25.042 -21.201 1.00 0.00 C ATOM 69 C THR A 5 -25.971 -25.568 -21.856 1.00 0.00 C ATOM 70 O THR A 5 -24.998 -24.834 -22.030 1.00 0.00 O ATOM 71 CB THR A 5 -28.290 -24.738 -22.271 1.00 0.00 C ATOM 72 OG1 THR A 5 -28.086 -23.451 -22.826 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.708 -24.802 -21.750 1.00 0.00 C ATOM 0 H THR A 5 -26.372 -23.166 -20.849 1.00 0.00 H new ATOM 0 HA THR A 5 -27.627 -25.812 -20.533 1.00 0.00 H new ATOM 0 HB THR A 5 -28.165 -25.512 -23.028 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.859 -22.883 -22.627 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.403 -24.576 -22.559 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.910 -25.802 -21.366 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.835 -24.074 -20.949 1.00 0.00 H new ATOM 81 N SER A 6 -25.988 -26.848 -22.209 1.00 0.00 N ATOM 82 CA SER A 6 -24.841 -27.491 -22.841 1.00 0.00 C ATOM 83 C SER A 6 -25.259 -28.801 -23.500 1.00 0.00 C ATOM 84 O SER A 6 -26.110 -29.524 -22.982 1.00 0.00 O ATOM 85 CB SER A 6 -23.745 -27.758 -21.806 1.00 0.00 C ATOM 86 OG SER A 6 -24.030 -28.923 -21.052 1.00 0.00 O ATOM 0 H SER A 6 -26.788 -27.464 -22.067 1.00 0.00 H new ATOM 0 HA SER A 6 -24.451 -26.820 -23.607 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.785 -27.872 -22.309 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.655 -26.901 -21.138 1.00 0.00 H new ATOM 0 HG SER A 6 -24.997 -29.081 -21.046 1.00 0.00 H new ATOM 92 N LYS A 7 -24.657 -29.099 -24.647 1.00 0.00 N ATOM 93 CA LYS A 7 -24.970 -30.320 -25.381 1.00 0.00 C ATOM 94 C LYS A 7 -23.908 -31.393 -25.151 1.00 0.00 C ATOM 95 O LYS A 7 -23.875 -32.404 -25.851 1.00 0.00 O ATOM 96 CB LYS A 7 -25.089 -30.021 -26.876 1.00 0.00 C ATOM 97 CG LYS A 7 -26.192 -29.032 -27.212 1.00 0.00 C ATOM 98 CD LYS A 7 -26.243 -28.741 -28.704 1.00 0.00 C ATOM 99 CE LYS A 7 -25.133 -27.792 -29.125 1.00 0.00 C ATOM 100 NZ LYS A 7 -24.645 -28.084 -30.501 1.00 0.00 N ATOM 0 H LYS A 7 -23.950 -28.512 -25.088 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.923 -30.698 -25.010 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.138 -29.628 -27.236 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.272 -30.953 -27.411 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -27.152 -29.431 -26.885 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.029 -28.104 -26.664 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -26.156 -29.674 -29.261 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.210 -28.307 -28.958 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.496 -26.765 -29.079 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -24.304 -27.869 -28.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.889 -27.415 -30.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -24.275 -29.055 -30.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.430 -27.986 -31.176 1.00 0.00 H new ATOM 114 N GLN A 8 -23.046 -31.172 -24.162 1.00 0.00 N ATOM 115 CA GLN A 8 -21.996 -32.119 -23.837 1.00 0.00 C ATOM 116 C GLN A 8 -21.784 -32.196 -22.329 1.00 0.00 C ATOM 117 O GLN A 8 -20.695 -32.533 -21.863 1.00 0.00 O ATOM 118 CB GLN A 8 -20.691 -31.733 -24.535 1.00 0.00 C ATOM 119 CG GLN A 8 -20.739 -31.891 -26.046 1.00 0.00 C ATOM 120 CD GLN A 8 -19.878 -30.872 -26.767 1.00 0.00 C ATOM 121 OE1 GLN A 8 -19.468 -29.868 -26.185 1.00 0.00 O ATOM 122 NE2 GLN A 8 -19.600 -31.127 -28.039 1.00 0.00 N ATOM 0 H GLN A 8 -23.059 -30.340 -23.572 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.305 -33.102 -24.192 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.452 -30.697 -24.294 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.882 -32.347 -24.139 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.408 -32.895 -26.313 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -21.770 -31.794 -26.385 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -19.962 -31.972 -28.481 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.025 -30.478 -28.575 1.00 0.00 H new ATOM 131 N MET A 9 -22.830 -31.878 -21.571 1.00 0.00 N ATOM 132 CA MET A 9 -22.757 -31.907 -20.114 1.00 0.00 C ATOM 133 C MET A 9 -24.086 -31.485 -19.495 1.00 0.00 C ATOM 134 O MET A 9 -24.996 -31.042 -20.195 1.00 0.00 O ATOM 135 CB MET A 9 -21.636 -30.986 -19.622 1.00 0.00 C ATOM 136 CG MET A 9 -20.473 -31.730 -18.987 1.00 0.00 C ATOM 137 SD MET A 9 -19.166 -30.623 -18.426 1.00 0.00 S ATOM 138 CE MET A 9 -18.904 -29.633 -19.896 1.00 0.00 C ATOM 0 H MET A 9 -23.738 -31.597 -21.942 1.00 0.00 H new ATOM 0 HA MET A 9 -22.541 -32.930 -19.805 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.265 -30.398 -20.462 1.00 0.00 H new ATOM 0 HB3 MET A 9 -22.046 -30.283 -18.897 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.838 -32.313 -18.142 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.061 -32.436 -19.708 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.903 -29.203 -19.872 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.008 -30.261 -20.781 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.642 -28.831 -19.931 1.00 0.00 H new ATOM 148 N GLU A 10 -24.185 -31.622 -18.177 1.00 0.00 N ATOM 149 CA GLU A 10 -25.397 -31.248 -17.457 1.00 0.00 C ATOM 150 C GLU A 10 -25.120 -30.081 -16.517 1.00 0.00 C ATOM 151 O GLU A 10 -23.964 -29.717 -16.295 1.00 0.00 O ATOM 152 CB GLU A 10 -25.935 -32.442 -16.665 1.00 0.00 C ATOM 153 CG GLU A 10 -24.898 -33.087 -15.760 1.00 0.00 C ATOM 154 CD GLU A 10 -24.172 -34.236 -16.431 1.00 0.00 C ATOM 155 OE1 GLU A 10 -23.934 -34.154 -17.655 1.00 0.00 O ATOM 156 OE2 GLU A 10 -23.840 -35.217 -15.733 1.00 0.00 O ATOM 0 H GLU A 10 -23.440 -31.990 -17.585 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.148 -30.940 -18.185 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.781 -32.115 -16.060 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.312 -33.190 -17.362 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.172 -32.334 -15.451 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.386 -33.449 -14.855 1.00 0.00 H new ATOM 163 N ILE A 11 -26.178 -29.485 -15.978 1.00 0.00 N ATOM 164 CA ILE A 11 -26.035 -28.351 -15.079 1.00 0.00 C ATOM 165 C ILE A 11 -25.914 -28.804 -13.630 1.00 0.00 C ATOM 166 O ILE A 11 -26.886 -29.251 -13.021 1.00 0.00 O ATOM 167 CB ILE A 11 -27.232 -27.396 -15.209 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.621 -27.247 -16.682 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.905 -26.044 -14.593 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.618 -26.460 -17.496 1.00 0.00 C ATOM 0 H ILE A 11 -27.142 -29.770 -16.149 1.00 0.00 H new ATOM 0 HA ILE A 11 -25.121 -27.829 -15.364 1.00 0.00 H new ATOM 0 HB ILE A 11 -28.080 -27.814 -14.667 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.735 -28.238 -17.121 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.592 -26.757 -16.745 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.764 -25.381 -14.694 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.669 -26.173 -13.537 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -26.048 -25.608 -15.106 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.959 -26.395 -18.529 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.521 -25.456 -17.082 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.650 -26.961 -17.464 1.00 0.00 H new ATOM 182 N THR A 12 -24.709 -28.676 -13.089 1.00 0.00 N ATOM 183 CA THR A 12 -24.440 -29.061 -11.710 1.00 0.00 C ATOM 184 C THR A 12 -24.499 -27.847 -10.786 1.00 0.00 C ATOM 185 O THR A 12 -24.202 -26.728 -11.201 1.00 0.00 O ATOM 186 CB THR A 12 -23.065 -29.724 -11.605 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.034 -28.755 -11.671 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.807 -30.745 -12.693 1.00 0.00 C ATOM 0 H THR A 12 -23.899 -28.307 -13.587 1.00 0.00 H new ATOM 0 HA THR A 12 -25.206 -29.772 -11.400 1.00 0.00 H new ATOM 0 HB THR A 12 -23.065 -30.236 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.163 -29.199 -11.600 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.815 -31.176 -12.559 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.557 -31.534 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.863 -30.260 -13.668 1.00 0.00 H new ATOM 196 N PRO A 13 -24.866 -28.053 -9.510 1.00 0.00 N ATOM 197 CA PRO A 13 -24.939 -26.969 -8.528 1.00 0.00 C ATOM 198 C PRO A 13 -23.614 -26.226 -8.411 1.00 0.00 C ATOM 199 O PRO A 13 -23.583 -25.046 -8.062 1.00 0.00 O ATOM 200 CB PRO A 13 -25.276 -27.679 -7.210 1.00 0.00 C ATOM 201 CG PRO A 13 -24.993 -29.124 -7.453 1.00 0.00 C ATOM 202 CD PRO A 13 -25.216 -29.353 -8.919 1.00 0.00 C ATOM 0 HA PRO A 13 -25.676 -26.216 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.671 -27.293 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.320 -27.524 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.970 -29.373 -7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -25.651 -29.755 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.585 -30.155 -9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -26.249 -29.629 -9.133 1.00 0.00 H new ATOM 210 N ALA A 14 -22.523 -26.918 -8.714 1.00 0.00 N ATOM 211 CA ALA A 14 -21.202 -26.313 -8.651 1.00 0.00 C ATOM 212 C ALA A 14 -21.015 -25.314 -9.784 1.00 0.00 C ATOM 213 O ALA A 14 -20.526 -24.204 -9.572 1.00 0.00 O ATOM 214 CB ALA A 14 -20.123 -27.385 -8.702 1.00 0.00 C ATOM 0 H ALA A 14 -22.528 -27.896 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.114 -25.779 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.141 -26.915 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.243 -28.063 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.211 -27.946 -9.632 1.00 0.00 H new ATOM 220 N ILE A 15 -21.426 -25.709 -10.984 1.00 0.00 N ATOM 221 CA ILE A 15 -21.324 -24.840 -12.144 1.00 0.00 C ATOM 222 C ILE A 15 -22.354 -23.727 -12.037 1.00 0.00 C ATOM 223 O ILE A 15 -22.155 -22.625 -12.548 1.00 0.00 O ATOM 224 CB ILE A 15 -21.539 -25.618 -13.459 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.546 -26.776 -13.558 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.396 -24.690 -14.657 1.00 0.00 C ATOM 227 CD1 ILE A 15 -20.988 -27.873 -14.503 1.00 0.00 C ATOM 0 H ILE A 15 -21.832 -26.625 -11.176 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.318 -24.420 -12.163 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.550 -26.026 -13.459 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.582 -26.390 -13.888 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.396 -27.201 -12.566 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.551 -25.256 -15.576 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.138 -23.894 -14.591 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.397 -24.255 -14.663 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.235 -28.661 -14.523 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -21.937 -28.286 -14.162 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.110 -27.462 -15.505 1.00 0.00 H new ATOM 239 N ARG A 16 -23.451 -24.023 -11.344 1.00 0.00 N ATOM 240 CA ARG A 16 -24.506 -23.049 -11.138 1.00 0.00 C ATOM 241 C ARG A 16 -24.082 -22.048 -10.072 1.00 0.00 C ATOM 242 O ARG A 16 -24.249 -20.840 -10.234 1.00 0.00 O ATOM 243 CB ARG A 16 -25.803 -23.744 -10.721 1.00 0.00 C ATOM 244 CG ARG A 16 -26.613 -24.275 -11.892 1.00 0.00 C ATOM 245 CD ARG A 16 -27.975 -24.780 -11.443 1.00 0.00 C ATOM 246 NE ARG A 16 -27.864 -25.935 -10.555 1.00 0.00 N ATOM 247 CZ ARG A 16 -28.842 -26.349 -9.752 1.00 0.00 C ATOM 248 NH1 ARG A 16 -30.003 -25.709 -9.724 1.00 0.00 N ATOM 249 NH2 ARG A 16 -28.657 -27.409 -8.976 1.00 0.00 N ATOM 0 H ARG A 16 -23.627 -24.932 -10.917 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.684 -22.521 -12.075 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.564 -24.570 -10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.416 -23.042 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.742 -23.487 -12.634 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.066 -25.083 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.508 -23.979 -10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.568 -25.050 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 16 -26.986 -26.454 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -30.151 -24.894 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -30.748 -26.031 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -27.766 -27.906 -8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -29.405 -27.727 -8.360 1.00 0.00 H new ATOM 263 N GLN A 17 -23.513 -22.566 -8.985 1.00 0.00 N ATOM 264 CA GLN A 17 -23.041 -21.726 -7.892 1.00 0.00 C ATOM 265 C GLN A 17 -21.845 -20.888 -8.334 1.00 0.00 C ATOM 266 O GLN A 17 -21.751 -19.712 -7.989 1.00 0.00 O ATOM 267 CB GLN A 17 -22.680 -22.585 -6.677 1.00 0.00 C ATOM 268 CG GLN A 17 -22.038 -21.805 -5.540 1.00 0.00 C ATOM 269 CD GLN A 17 -22.883 -21.801 -4.280 1.00 0.00 C ATOM 270 OE1 GLN A 17 -22.946 -22.797 -3.558 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.541 -20.679 -4.012 1.00 0.00 N ATOM 0 H GLN A 17 -23.369 -23.565 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 17 -23.844 -21.047 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -23.583 -23.071 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -21.999 -23.375 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.062 -22.235 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -21.868 -20.777 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.460 -19.878 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -24.128 -20.618 -3.180 1.00 0.00 H new ATOM 280 N HIS A 18 -20.940 -21.479 -9.106 1.00 0.00 N ATOM 281 CA HIS A 18 -19.777 -20.743 -9.589 1.00 0.00 C ATOM 282 C HIS A 18 -20.227 -19.557 -10.440 1.00 0.00 C ATOM 283 O HIS A 18 -19.925 -18.401 -10.125 1.00 0.00 O ATOM 284 CB HIS A 18 -18.833 -21.658 -10.375 1.00 0.00 C ATOM 285 CG HIS A 18 -17.697 -20.934 -11.030 1.00 0.00 C ATOM 286 ND1 HIS A 18 -17.536 -20.511 -12.306 1.00 0.00 N flip ATOM 287 CD2 HIS A 18 -16.549 -20.567 -10.359 1.00 0.00 C flip ATOM 288 CE1 HIS A 18 -16.308 -19.901 -12.381 1.00 0.00 C flip ATOM 289 NE2 HIS A 18 -15.732 -19.948 -11.193 1.00 0.00 N flip ATOM 0 H HIS A 18 -20.987 -22.452 -9.408 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.224 -20.364 -8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.430 -22.414 -9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.405 -22.185 -11.139 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.203 -20.624 -13.070 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -16.349 -20.756 -9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.882 -19.455 -13.268 1.00 0.00 H new ATOM 298 N VAL A 19 -20.977 -19.833 -11.499 1.00 0.00 N ATOM 299 CA VAL A 19 -21.481 -18.775 -12.353 1.00 0.00 C ATOM 300 C VAL A 19 -22.360 -17.825 -11.549 1.00 0.00 C ATOM 301 O VAL A 19 -22.204 -16.607 -11.628 1.00 0.00 O ATOM 302 CB VAL A 19 -22.293 -19.347 -13.529 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.652 -18.244 -14.506 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.523 -20.460 -14.226 1.00 0.00 C ATOM 0 H VAL A 19 -21.246 -20.775 -11.783 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.623 -18.234 -12.753 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.216 -19.773 -13.137 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.226 -18.663 -15.333 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.248 -17.487 -13.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.740 -17.789 -14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -22.116 -20.849 -15.054 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.581 -20.067 -14.608 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.320 -21.262 -13.516 1.00 0.00 H new ATOM 314 N ALA A 20 -23.275 -18.389 -10.769 1.00 0.00 N ATOM 315 CA ALA A 20 -24.173 -17.591 -9.944 1.00 0.00 C ATOM 316 C ALA A 20 -23.409 -16.715 -8.951 1.00 0.00 C ATOM 317 O ALA A 20 -23.787 -15.565 -8.724 1.00 0.00 O ATOM 318 CB ALA A 20 -25.176 -18.473 -9.226 1.00 0.00 C ATOM 0 H ALA A 20 -23.414 -19.396 -10.691 1.00 0.00 H new ATOM 0 HA ALA A 20 -24.718 -16.924 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.835 -17.854 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -25.768 -19.021 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.647 -19.179 -8.586 1.00 0.00 H new ATOM 324 N ASP A 21 -22.339 -17.244 -8.358 1.00 0.00 N ATOM 325 CA ASP A 21 -21.560 -16.463 -7.399 1.00 0.00 C ATOM 326 C ASP A 21 -21.016 -15.209 -8.071 1.00 0.00 C ATOM 327 O ASP A 21 -20.917 -14.148 -7.454 1.00 0.00 O ATOM 328 CB ASP A 21 -20.415 -17.293 -6.794 1.00 0.00 C ATOM 329 CG ASP A 21 -19.191 -17.395 -7.692 1.00 0.00 C ATOM 330 OD1 ASP A 21 -18.662 -16.343 -8.106 1.00 0.00 O ATOM 331 OD2 ASP A 21 -18.752 -18.530 -7.966 1.00 0.00 O ATOM 0 H ASP A 21 -21.997 -18.191 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.220 -16.172 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.120 -16.850 -5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.781 -18.297 -6.578 1.00 0.00 H new ATOM 336 N ARG A 22 -20.678 -15.343 -9.349 1.00 0.00 N ATOM 337 CA ARG A 22 -20.156 -14.224 -10.125 1.00 0.00 C ATOM 338 C ARG A 22 -21.276 -13.260 -10.502 1.00 0.00 C ATOM 339 O ARG A 22 -21.035 -12.071 -10.710 1.00 0.00 O ATOM 340 CB ARG A 22 -19.462 -14.731 -11.387 1.00 0.00 C ATOM 341 CG ARG A 22 -18.347 -15.727 -11.112 1.00 0.00 C ATOM 342 CD ARG A 22 -17.186 -15.074 -10.378 1.00 0.00 C ATOM 343 NE ARG A 22 -16.174 -16.050 -9.977 1.00 0.00 N ATOM 344 CZ ARG A 22 -15.256 -15.822 -9.042 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.213 -14.654 -8.412 1.00 0.00 N ATOM 346 NH2 ARG A 22 -14.375 -16.765 -8.735 1.00 0.00 N ATOM 0 H ARG A 22 -20.756 -16.216 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.431 -13.693 -9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.203 -15.198 -12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.052 -13.881 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.735 -16.555 -10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.993 -16.148 -12.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.729 -14.321 -11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.560 -14.556 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.172 -16.958 -10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.887 -13.924 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.506 -14.486 -7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.402 -17.664 -9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.671 -16.591 -8.018 1.00 0.00 H new ATOM 360 N LEU A 23 -22.503 -13.766 -10.570 1.00 0.00 N ATOM 361 CA LEU A 23 -23.645 -12.925 -10.905 1.00 0.00 C ATOM 362 C LEU A 23 -23.896 -11.915 -9.791 1.00 0.00 C ATOM 363 O LEU A 23 -23.920 -10.707 -10.022 1.00 0.00 O ATOM 364 CB LEU A 23 -24.901 -13.772 -11.120 1.00 0.00 C ATOM 365 CG LEU A 23 -24.744 -14.956 -12.077 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.108 -15.517 -12.450 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.976 -14.546 -13.325 1.00 0.00 C ATOM 0 H LEU A 23 -22.731 -14.746 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.417 -12.397 -11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.232 -14.151 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.693 -13.125 -11.497 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.174 -15.734 -11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.981 -16.359 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.622 -15.853 -11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.699 -14.742 -12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.877 -15.404 -13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.515 -13.749 -13.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.985 -14.190 -13.042 1.00 0.00 H new ATOM 379 N ALA A 24 -24.075 -12.428 -8.581 1.00 0.00 N ATOM 380 CA ALA A 24 -24.319 -11.585 -7.415 1.00 0.00 C ATOM 381 C ALA A 24 -23.152 -10.632 -7.171 1.00 0.00 C ATOM 382 O ALA A 24 -23.313 -9.593 -6.530 1.00 0.00 O ATOM 383 CB ALA A 24 -24.574 -12.445 -6.186 1.00 0.00 C ATOM 0 H ALA A 24 -24.056 -13.428 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.206 -10.983 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -24.754 -11.803 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -25.446 -13.076 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -23.704 -13.073 -5.995 1.00 0.00 H new ATOM 389 N LYS A 25 -21.980 -10.983 -7.694 1.00 0.00 N ATOM 390 CA LYS A 25 -20.796 -10.148 -7.540 1.00 0.00 C ATOM 391 C LYS A 25 -20.838 -8.984 -8.523 1.00 0.00 C ATOM 392 O LYS A 25 -20.323 -7.900 -8.248 1.00 0.00 O ATOM 393 CB LYS A 25 -19.528 -10.975 -7.763 1.00 0.00 C ATOM 394 CG LYS A 25 -18.244 -10.182 -7.580 1.00 0.00 C ATOM 395 CD LYS A 25 -17.539 -9.943 -8.906 1.00 0.00 C ATOM 396 CE LYS A 25 -16.153 -9.355 -8.702 1.00 0.00 C ATOM 397 NZ LYS A 25 -15.123 -10.414 -8.507 1.00 0.00 N ATOM 0 H LYS A 25 -21.827 -11.839 -8.227 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.783 -9.752 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.527 -11.817 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.548 -11.391 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.471 -9.225 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.578 -10.719 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.460 -10.883 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.135 -9.268 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.887 -8.745 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.163 -8.694 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.192 -9.972 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.362 -10.981 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.095 -11.030 -9.345 1.00 0.00 H new ATOM 411 N LEU A 26 -21.465 -9.220 -9.671 1.00 0.00 N ATOM 412 CA LEU A 26 -21.593 -8.203 -10.707 1.00 0.00 C ATOM 413 C LEU A 26 -22.733 -7.240 -10.376 1.00 0.00 C ATOM 414 O LEU A 26 -23.682 -7.092 -11.147 1.00 0.00 O ATOM 415 CB LEU A 26 -21.844 -8.873 -12.060 1.00 0.00 C ATOM 416 CG LEU A 26 -20.583 -9.316 -12.812 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.704 -10.766 -13.261 1.00 0.00 C ATOM 418 CD2 LEU A 26 -20.324 -8.409 -14.005 1.00 0.00 C ATOM 0 H LEU A 26 -21.895 -10.114 -9.908 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.666 -7.633 -10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.480 -9.745 -11.904 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.401 -8.182 -12.692 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.736 -9.238 -12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.799 -11.059 -13.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.837 -11.407 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.563 -10.871 -13.923 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.425 -8.740 -14.525 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -21.174 -8.452 -14.686 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.187 -7.384 -13.660 1.00 0.00 H new ATOM 592 N PRO A 36 -31.293 -13.690 -19.919 1.00 0.00 N ATOM 593 CA PRO A 36 -29.923 -13.973 -20.341 1.00 0.00 C ATOM 594 C PRO A 36 -29.706 -15.472 -20.521 1.00 0.00 C ATOM 595 O PRO A 36 -30.297 -16.279 -19.803 1.00 0.00 O ATOM 596 CB PRO A 36 -29.091 -13.436 -19.181 1.00 0.00 C ATOM 597 CG PRO A 36 -29.960 -13.619 -17.983 1.00 0.00 C ATOM 598 CD PRO A 36 -31.386 -13.482 -18.461 1.00 0.00 C ATOM 0 HA PRO A 36 -29.666 -13.523 -21.300 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -28.153 -13.982 -19.079 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.834 -12.387 -19.329 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.795 -14.597 -17.530 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.733 -12.873 -17.222 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -32.037 -14.220 -17.993 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.795 -12.500 -18.223 1.00 0.00 H new ATOM 606 N HIS A 37 -28.877 -15.845 -21.490 1.00 0.00 N ATOM 607 CA HIS A 37 -28.622 -17.257 -21.757 1.00 0.00 C ATOM 608 C HIS A 37 -27.136 -17.548 -21.944 1.00 0.00 C ATOM 609 O HIS A 37 -26.456 -16.900 -22.741 1.00 0.00 O ATOM 610 CB HIS A 37 -29.395 -17.704 -22.999 1.00 0.00 C ATOM 611 CG HIS A 37 -29.956 -19.087 -22.888 1.00 0.00 C ATOM 612 ND1 HIS A 37 -31.039 -19.521 -23.624 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.577 -20.139 -22.124 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.303 -20.779 -23.315 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.431 -21.176 -22.409 1.00 0.00 N ATOM 0 H HIS A 37 -28.375 -15.198 -22.098 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.962 -17.818 -20.887 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.210 -17.004 -23.181 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.734 -17.657 -23.865 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.555 -18.959 -24.301 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -28.757 -20.159 -21.422 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -32.097 -21.379 -23.733 1.00 0.00 H new ATOM 624 N ILE A 38 -26.651 -18.543 -21.210 1.00 0.00 N ATOM 625 CA ILE A 38 -25.256 -18.957 -21.285 1.00 0.00 C ATOM 626 C ILE A 38 -25.163 -20.413 -21.733 1.00 0.00 C ATOM 627 O ILE A 38 -25.886 -21.273 -21.230 1.00 0.00 O ATOM 628 CB ILE A 38 -24.544 -18.791 -19.926 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.616 -17.334 -19.465 1.00 0.00 C ATOM 630 CG2 ILE A 38 -23.095 -19.251 -20.016 1.00 0.00 C ATOM 631 CD1 ILE A 38 -25.904 -16.988 -18.750 1.00 0.00 C ATOM 0 H ILE A 38 -27.211 -19.083 -20.550 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.760 -18.316 -22.013 1.00 0.00 H new ATOM 0 HB ILE A 38 -25.053 -19.415 -19.192 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -23.776 -17.130 -18.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.504 -16.682 -20.331 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.612 -19.125 -19.047 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -23.064 -20.302 -20.303 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.570 -18.656 -20.763 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.885 -15.940 -18.452 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.748 -17.160 -19.418 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -26.008 -17.615 -17.864 1.00 0.00 H new ATOM 643 N ILE A 39 -24.278 -20.683 -22.687 1.00 0.00 N ATOM 644 CA ILE A 39 -24.104 -22.034 -23.206 1.00 0.00 C ATOM 645 C ILE A 39 -22.706 -22.569 -22.915 1.00 0.00 C ATOM 646 O ILE A 39 -21.755 -21.802 -22.758 1.00 0.00 O ATOM 647 CB ILE A 39 -24.353 -22.083 -24.725 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.683 -21.410 -25.069 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.338 -23.523 -25.220 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.862 -21.145 -26.547 1.00 0.00 C ATOM 0 H ILE A 39 -23.671 -19.985 -23.116 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.837 -22.662 -22.699 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.552 -21.539 -25.226 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.501 -22.040 -24.720 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -25.754 -20.467 -24.528 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.515 -23.540 -26.295 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.368 -23.971 -25.005 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -25.120 -24.090 -24.714 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.827 -20.667 -26.717 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -25.065 -20.489 -26.898 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.823 -22.088 -27.093 1.00 0.00 H new ATOM 662 N LEU A 40 -22.591 -23.890 -22.849 1.00 0.00 N ATOM 663 CA LEU A 40 -21.315 -24.542 -22.583 1.00 0.00 C ATOM 664 C LEU A 40 -21.014 -25.593 -23.647 1.00 0.00 C ATOM 665 O LEU A 40 -21.825 -26.485 -23.901 1.00 0.00 O ATOM 666 CB LEU A 40 -21.328 -25.194 -21.199 1.00 0.00 C ATOM 667 CG LEU A 40 -21.957 -24.348 -20.089 1.00 0.00 C ATOM 668 CD1 LEU A 40 -22.748 -25.226 -19.130 1.00 0.00 C ATOM 669 CD2 LEU A 40 -20.884 -23.571 -19.340 1.00 0.00 C ATOM 0 H LEU A 40 -23.372 -24.534 -22.977 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.534 -23.782 -22.611 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.868 -26.139 -21.265 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.302 -25.432 -20.917 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.643 -23.635 -20.546 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -23.187 -24.607 -18.348 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.540 -25.738 -19.675 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -22.083 -25.963 -18.679 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.348 -22.975 -18.554 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -20.174 -24.268 -18.895 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.360 -22.913 -20.033 1.00 0.00 H new ATOM 681 N SER A 41 -19.844 -25.482 -24.264 1.00 0.00 N ATOM 682 CA SER A 41 -19.427 -26.419 -25.298 1.00 0.00 C ATOM 683 C SER A 41 -18.098 -27.068 -24.931 1.00 0.00 C ATOM 684 O SER A 41 -17.559 -26.829 -23.850 1.00 0.00 O ATOM 685 CB SER A 41 -19.308 -25.707 -26.646 1.00 0.00 C ATOM 686 OG SER A 41 -20.557 -25.666 -27.315 1.00 0.00 O ATOM 0 H SER A 41 -19.164 -24.748 -24.064 1.00 0.00 H new ATOM 0 HA SER A 41 -20.185 -27.199 -25.377 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.941 -24.692 -26.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 -18.576 -26.221 -27.268 1.00 0.00 H new ATOM 0 HG SER A 41 -20.453 -25.204 -28.173 1.00 0.00 H new ATOM 692 N LYS A 42 -17.578 -27.894 -25.831 1.00 0.00 N ATOM 693 CA LYS A 42 -16.315 -28.582 -25.593 1.00 0.00 C ATOM 694 C LYS A 42 -15.673 -29.025 -26.900 1.00 0.00 C ATOM 695 O LYS A 42 -16.342 -29.528 -27.804 1.00 0.00 O ATOM 696 CB LYS A 42 -16.539 -29.795 -24.689 1.00 0.00 C ATOM 697 CG LYS A 42 -15.252 -30.382 -24.129 1.00 0.00 C ATOM 698 CD LYS A 42 -14.992 -31.785 -24.660 1.00 0.00 C ATOM 699 CE LYS A 42 -13.628 -31.886 -25.325 1.00 0.00 C ATOM 700 NZ LYS A 42 -13.035 -33.244 -25.172 1.00 0.00 N ATOM 0 H LYS A 42 -18.010 -28.103 -26.731 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.640 -27.882 -25.101 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.187 -29.506 -23.862 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.065 -30.566 -25.252 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.414 -29.734 -24.388 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.309 -30.410 -23.041 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.053 -32.502 -23.841 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.768 -32.053 -25.377 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.722 -31.648 -26.385 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.956 -31.145 -24.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.106 -33.272 -25.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.921 -33.461 -24.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.663 -33.948 -25.609 1.00 0.00 H new ATOM 714 N GLU A 43 -14.366 -28.842 -26.975 1.00 0.00 N ATOM 715 CA GLU A 43 -13.589 -29.220 -28.140 1.00 0.00 C ATOM 716 C GLU A 43 -12.375 -30.029 -27.698 1.00 0.00 C ATOM 717 O GLU A 43 -11.926 -29.901 -26.559 1.00 0.00 O ATOM 718 CB GLU A 43 -13.134 -27.975 -28.903 1.00 0.00 C ATOM 719 CG GLU A 43 -14.252 -26.978 -29.162 1.00 0.00 C ATOM 720 CD GLU A 43 -13.754 -25.548 -29.236 1.00 0.00 C ATOM 721 OE1 GLU A 43 -12.850 -25.193 -28.450 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.268 -24.783 -30.079 1.00 0.00 O ATOM 0 H GLU A 43 -13.813 -28.425 -26.226 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.210 -29.825 -28.801 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.342 -27.482 -28.339 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.703 -28.281 -29.856 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.752 -27.233 -30.096 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.996 -27.059 -28.370 1.00 0.00 H new ATOM 729 N PRO A 44 -11.822 -30.873 -28.576 1.00 0.00 N ATOM 730 CA PRO A 44 -10.654 -31.690 -28.238 1.00 0.00 C ATOM 731 C PRO A 44 -9.521 -30.864 -27.646 1.00 0.00 C ATOM 732 O PRO A 44 -8.668 -31.378 -26.920 1.00 0.00 O ATOM 733 CB PRO A 44 -10.238 -32.283 -29.581 1.00 0.00 C ATOM 734 CG PRO A 44 -11.491 -32.310 -30.386 1.00 0.00 C ATOM 735 CD PRO A 44 -12.281 -31.103 -29.958 1.00 0.00 C ATOM 0 HA PRO A 44 -10.885 -32.438 -27.479 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.471 -31.675 -30.062 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.823 -33.284 -29.461 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.271 -32.275 -31.453 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.051 -33.228 -30.206 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.081 -30.243 -30.597 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.354 -31.288 -30.000 1.00 0.00 H new ATOM 743 N GLN A 45 -9.514 -29.586 -27.977 1.00 0.00 N ATOM 744 CA GLN A 45 -8.488 -28.670 -27.508 1.00 0.00 C ATOM 745 C GLN A 45 -8.852 -28.011 -26.174 1.00 0.00 C ATOM 746 O GLN A 45 -8.031 -27.304 -25.589 1.00 0.00 O ATOM 747 CB GLN A 45 -8.221 -27.594 -28.565 1.00 0.00 C ATOM 748 CG GLN A 45 -6.811 -27.638 -29.132 1.00 0.00 C ATOM 749 CD GLN A 45 -6.203 -26.258 -29.290 1.00 0.00 C ATOM 750 OE1 GLN A 45 -5.137 -25.970 -28.746 1.00 0.00 O ATOM 751 NE2 GLN A 45 -6.881 -25.396 -30.039 1.00 0.00 N ATOM 0 H GLN A 45 -10.217 -29.154 -28.577 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.586 -29.259 -27.342 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.936 -27.711 -29.380 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.397 -26.612 -28.125 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.178 -28.237 -28.477 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.828 -28.137 -30.101 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.761 -25.678 -30.471 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.522 -24.452 -30.182 1.00 0.00 H new ATOM 760 N GLY A 46 -10.071 -28.238 -25.690 1.00 0.00 N ATOM 761 CA GLY A 46 -10.480 -27.644 -24.428 1.00 0.00 C ATOM 762 C GLY A 46 -11.968 -27.379 -24.374 1.00 0.00 C ATOM 763 O GLY A 46 -12.722 -27.934 -25.163 1.00 0.00 O ATOM 0 H GLY A 46 -10.777 -28.817 -26.144 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.201 -28.308 -23.609 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.941 -26.709 -24.278 1.00 0.00 H new ATOM 767 N PHE A 47 -12.396 -26.533 -23.445 1.00 0.00 N ATOM 768 CA PHE A 47 -13.813 -26.209 -23.310 1.00 0.00 C ATOM 769 C PHE A 47 -14.112 -24.784 -23.739 1.00 0.00 C ATOM 770 O PHE A 47 -13.241 -23.914 -23.728 1.00 0.00 O ATOM 771 CB PHE A 47 -14.268 -26.431 -21.876 1.00 0.00 C ATOM 772 CG PHE A 47 -13.891 -27.783 -21.377 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.576 -28.067 -21.072 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.841 -28.774 -21.241 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.208 -29.317 -20.636 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.485 -30.032 -20.801 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.164 -30.307 -20.497 1.00 0.00 C ATOM 0 H PHE A 47 -11.787 -26.061 -22.777 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.366 -26.875 -23.972 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.826 -25.670 -21.233 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.350 -26.310 -21.815 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.826 -27.297 -21.177 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.873 -28.563 -21.481 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.175 -29.526 -20.402 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.236 -30.801 -20.694 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.880 -31.290 -20.153 1.00 0.00 H new ATOM 787 N VAL A 48 -15.360 -24.569 -24.135 1.00 0.00 N ATOM 788 CA VAL A 48 -15.809 -23.266 -24.594 1.00 0.00 C ATOM 789 C VAL A 48 -17.085 -22.837 -23.875 1.00 0.00 C ATOM 790 O VAL A 48 -17.989 -23.643 -23.662 1.00 0.00 O ATOM 791 CB VAL A 48 -16.053 -23.287 -26.119 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.787 -22.034 -26.580 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.735 -23.443 -26.863 1.00 0.00 C ATOM 0 H VAL A 48 -16.083 -25.289 -24.146 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.024 -22.545 -24.365 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.687 -24.144 -26.348 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.943 -22.080 -27.658 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.751 -21.971 -26.076 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.192 -21.154 -26.337 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.923 -23.456 -27.937 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.079 -22.608 -26.620 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.258 -24.377 -26.567 1.00 0.00 H new ATOM 803 N ALA A 49 -17.155 -21.561 -23.513 1.00 0.00 N ATOM 804 CA ALA A 49 -18.324 -21.024 -22.831 1.00 0.00 C ATOM 805 C ALA A 49 -18.796 -19.745 -23.511 1.00 0.00 C ATOM 806 O ALA A 49 -18.030 -18.790 -23.646 1.00 0.00 O ATOM 807 CB ALA A 49 -18.009 -20.764 -21.363 1.00 0.00 C ATOM 0 H ALA A 49 -16.415 -20.880 -23.681 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.127 -21.760 -22.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.893 -20.363 -20.867 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.716 -21.698 -20.883 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.193 -20.045 -21.288 1.00 0.00 H new ATOM 813 N ASP A 50 -20.053 -19.724 -23.944 1.00 0.00 N ATOM 814 CA ASP A 50 -20.601 -18.550 -24.615 1.00 0.00 C ATOM 815 C ASP A 50 -21.790 -17.989 -23.849 1.00 0.00 C ATOM 816 O ASP A 50 -22.520 -18.727 -23.190 1.00 0.00 O ATOM 817 CB ASP A 50 -21.026 -18.904 -26.041 1.00 0.00 C ATOM 818 CG ASP A 50 -19.854 -18.948 -27.001 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.076 -19.923 -26.944 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.715 -18.006 -27.810 1.00 0.00 O ATOM 0 H ASP A 50 -20.707 -20.500 -23.843 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.821 -17.789 -24.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.526 -19.873 -26.038 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.753 -18.172 -26.393 1.00 0.00 H new ATOM 825 N ALA A 51 -21.985 -16.680 -23.944 1.00 0.00 N ATOM 826 CA ALA A 51 -23.096 -16.029 -23.263 1.00 0.00 C ATOM 827 C ALA A 51 -23.642 -14.869 -24.086 1.00 0.00 C ATOM 828 O ALA A 51 -22.879 -14.106 -24.680 1.00 0.00 O ATOM 829 CB ALA A 51 -22.665 -15.544 -21.886 1.00 0.00 C ATOM 0 H ALA A 51 -21.391 -16.051 -24.484 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.893 -16.763 -23.143 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.507 -15.060 -21.391 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.332 -16.393 -21.289 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.847 -14.831 -21.991 1.00 0.00 H new ATOM 835 N THR A 52 -24.962 -14.735 -24.112 1.00 0.00 N ATOM 836 CA THR A 52 -25.598 -13.657 -24.859 1.00 0.00 C ATOM 837 C THR A 52 -26.699 -13.016 -24.025 1.00 0.00 C ATOM 838 O THR A 52 -27.540 -13.714 -23.458 1.00 0.00 O ATOM 839 CB THR A 52 -26.176 -14.189 -26.172 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.298 -15.131 -26.761 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.436 -13.104 -27.194 1.00 0.00 C ATOM 0 H THR A 52 -25.610 -15.356 -23.627 1.00 0.00 H new ATOM 0 HA THR A 52 -24.845 -12.902 -25.088 1.00 0.00 H new ATOM 0 HB THR A 52 -27.127 -14.649 -25.903 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.686 -15.461 -27.598 1.00 0.00 H new ATOM 0 HG21 THR A 52 -26.845 -13.549 -28.101 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.149 -12.386 -26.789 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.502 -12.594 -27.429 1.00 0.00 H new ATOM 849 N ILE A 53 -26.694 -11.691 -23.943 1.00 0.00 N ATOM 850 CA ILE A 53 -27.698 -10.980 -23.165 1.00 0.00 C ATOM 851 C ILE A 53 -28.289 -9.815 -23.951 1.00 0.00 C ATOM 852 O ILE A 53 -27.564 -9.045 -24.582 1.00 0.00 O ATOM 853 CB ILE A 53 -27.109 -10.452 -21.844 1.00 0.00 C ATOM 854 CG1 ILE A 53 -26.315 -11.557 -21.142 1.00 0.00 C ATOM 855 CG2 ILE A 53 -28.215 -9.930 -20.941 1.00 0.00 C ATOM 856 CD1 ILE A 53 -25.363 -11.044 -20.084 1.00 0.00 C ATOM 0 H ILE A 53 -26.010 -11.091 -24.403 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.490 -11.695 -22.943 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.432 -9.627 -22.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -27.012 -12.257 -20.682 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.749 -12.115 -21.888 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.782 -9.561 -20.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.742 -9.119 -21.443 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.915 -10.736 -20.720 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.836 -11.884 -19.631 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.641 -10.367 -20.541 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -25.925 -10.511 -19.317 1.00 0.00 H new ATOM 868 N ASN A 54 -29.610 -9.688 -23.897 1.00 0.00 N ATOM 869 CA ASN A 54 -30.313 -8.614 -24.587 1.00 0.00 C ATOM 870 C ASN A 54 -30.729 -7.530 -23.600 1.00 0.00 C ATOM 871 O ASN A 54 -31.255 -7.824 -22.527 1.00 0.00 O ATOM 872 CB ASN A 54 -31.548 -9.161 -25.307 1.00 0.00 C ATOM 873 CG ASN A 54 -31.244 -10.413 -26.107 1.00 0.00 C ATOM 874 OD1 ASN A 54 -31.077 -10.359 -27.325 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.173 -11.549 -25.424 1.00 0.00 N ATOM 0 H ASN A 54 -30.219 -10.321 -23.378 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.637 -8.180 -25.324 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.325 -9.381 -24.574 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -31.946 -8.395 -25.973 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -30.973 -12.424 -25.909 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.318 -11.547 -24.414 1.00 0.00 H new ATOM 882 N THR A 55 -30.496 -6.275 -23.971 1.00 0.00 N ATOM 883 CA THR A 55 -30.853 -5.153 -23.115 1.00 0.00 C ATOM 884 C THR A 55 -31.580 -4.077 -23.917 1.00 0.00 C ATOM 885 O THR A 55 -31.437 -4.005 -25.138 1.00 0.00 O ATOM 886 CB THR A 55 -29.601 -4.565 -22.460 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.743 -3.999 -23.434 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.800 -5.585 -21.678 1.00 0.00 C ATOM 0 H THR A 55 -30.063 -6.012 -24.856 1.00 0.00 H new ATOM 0 HA THR A 55 -31.522 -5.516 -22.334 1.00 0.00 H new ATOM 0 HB THR A 55 -29.966 -3.806 -21.768 1.00 0.00 H new ATOM 0 HG1 THR A 55 -28.556 -4.663 -24.130 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.926 -5.103 -21.240 1.00 0.00 H new ATOM 0 HG22 THR A 55 -29.420 -6.004 -20.885 1.00 0.00 H new ATOM 0 HG23 THR A 55 -28.477 -6.384 -22.346 1.00 0.00 H new ATOM 896 N PRO A 56 -32.368 -3.222 -23.247 1.00 0.00 N ATOM 897 CA PRO A 56 -33.108 -2.148 -23.918 1.00 0.00 C ATOM 898 C PRO A 56 -32.192 -1.061 -24.478 1.00 0.00 C ATOM 899 O PRO A 56 -32.648 -0.160 -25.181 1.00 0.00 O ATOM 900 CB PRO A 56 -33.996 -1.579 -22.810 1.00 0.00 C ATOM 901 CG PRO A 56 -33.296 -1.922 -21.541 1.00 0.00 C ATOM 902 CD PRO A 56 -32.597 -3.230 -21.791 1.00 0.00 C ATOM 0 HA PRO A 56 -33.662 -2.519 -24.780 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -34.116 -0.501 -22.915 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.994 -2.016 -22.841 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -32.582 -1.145 -21.267 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.004 -2.010 -20.717 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.661 -3.297 -21.237 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -33.210 -4.078 -21.485 1.00 0.00 H new ATOM 910 N ASN A 57 -30.900 -1.144 -24.162 1.00 0.00 N ATOM 911 CA ASN A 57 -29.936 -0.158 -24.638 1.00 0.00 C ATOM 912 C ASN A 57 -28.787 -0.817 -25.401 1.00 0.00 C ATOM 913 O ASN A 57 -27.703 -0.247 -25.515 1.00 0.00 O ATOM 914 CB ASN A 57 -29.380 0.645 -23.460 1.00 0.00 C ATOM 915 CG ASN A 57 -30.445 1.481 -22.777 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.495 1.761 -23.353 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.176 1.884 -21.540 1.00 0.00 N ATOM 0 H ASN A 57 -30.500 -1.881 -23.581 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.457 0.510 -25.323 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.937 -0.038 -22.735 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.581 1.297 -23.813 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -30.854 2.449 -21.029 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.292 1.628 -21.101 1.00 0.00 H new ATOM 924 N GLY A 58 -29.028 -2.016 -25.927 1.00 0.00 N ATOM 925 CA GLY A 58 -27.994 -2.713 -26.674 1.00 0.00 C ATOM 926 C GLY A 58 -27.939 -4.196 -26.365 1.00 0.00 C ATOM 927 O GLY A 58 -28.865 -4.752 -25.773 1.00 0.00 O ATOM 0 H GLY A 58 -29.915 -2.514 -25.850 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.169 -2.576 -27.741 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.026 -2.264 -26.450 1.00 0.00 H new ATOM 931 N VAL A 59 -26.847 -4.838 -26.771 1.00 0.00 N ATOM 932 CA VAL A 59 -26.663 -6.267 -26.540 1.00 0.00 C ATOM 933 C VAL A 59 -25.207 -6.588 -26.209 1.00 0.00 C ATOM 934 O VAL A 59 -24.288 -5.962 -26.738 1.00 0.00 O ATOM 935 CB VAL A 59 -27.092 -7.095 -27.766 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.086 -8.580 -27.436 1.00 0.00 C ATOM 937 CG2 VAL A 59 -28.464 -6.655 -28.254 1.00 0.00 C ATOM 0 H VAL A 59 -26.074 -4.389 -27.263 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.294 -6.533 -25.692 1.00 0.00 H new ATOM 0 HB VAL A 59 -26.374 -6.922 -28.568 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.392 -9.149 -28.314 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.082 -8.883 -27.139 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -27.780 -8.774 -26.618 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -28.750 -7.251 -29.121 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.196 -6.796 -27.459 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -28.430 -5.602 -28.533 1.00 0.00 H new ATOM 947 N LEU A 60 -25.007 -7.561 -25.325 1.00 0.00 N ATOM 948 CA LEU A 60 -23.662 -7.960 -24.917 1.00 0.00 C ATOM 949 C LEU A 60 -23.384 -9.419 -25.273 1.00 0.00 C ATOM 950 O LEU A 60 -24.265 -10.273 -25.177 1.00 0.00 O ATOM 951 CB LEU A 60 -23.482 -7.751 -23.412 1.00 0.00 C ATOM 952 CG LEU A 60 -23.041 -6.344 -23.000 1.00 0.00 C ATOM 953 CD1 LEU A 60 -24.191 -5.359 -23.150 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.517 -6.346 -21.570 1.00 0.00 C ATOM 0 H LEU A 60 -25.757 -8.088 -24.878 1.00 0.00 H new ATOM 0 HA LEU A 60 -22.951 -7.335 -25.457 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -24.424 -7.980 -22.914 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.746 -8.467 -23.047 1.00 0.00 H new ATOM 0 HG LEU A 60 -22.233 -6.029 -23.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -23.859 -4.364 -22.853 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -24.518 -5.337 -24.190 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -25.021 -5.669 -22.515 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -22.208 -5.338 -21.294 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -23.304 -6.682 -20.895 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -21.663 -7.020 -21.496 1.00 0.00 H new ATOM 966 N VAL A 61 -22.147 -9.692 -25.680 1.00 0.00 N ATOM 967 CA VAL A 61 -21.737 -11.043 -26.048 1.00 0.00 C ATOM 968 C VAL A 61 -20.322 -11.335 -25.558 1.00 0.00 C ATOM 969 O VAL A 61 -19.457 -10.460 -25.580 1.00 0.00 O ATOM 970 CB VAL A 61 -21.795 -11.253 -27.572 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.561 -12.715 -27.920 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.127 -10.772 -28.128 1.00 0.00 C ATOM 0 H VAL A 61 -21.409 -8.992 -25.763 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.436 -11.730 -25.570 1.00 0.00 H new ATOM 0 HB VAL A 61 -21.002 -10.663 -28.031 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.606 -12.843 -29.001 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.580 -13.023 -27.558 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.330 -13.328 -27.450 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.149 -10.929 -29.206 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -23.939 -11.332 -27.663 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.249 -9.710 -27.913 1.00 0.00 H new ATOM 982 N ALA A 62 -20.093 -12.566 -25.111 1.00 0.00 N ATOM 983 CA ALA A 62 -18.779 -12.963 -24.610 1.00 0.00 C ATOM 984 C ALA A 62 -18.548 -14.462 -24.766 1.00 0.00 C ATOM 985 O ALA A 62 -19.491 -15.251 -24.823 1.00 0.00 O ATOM 986 CB ALA A 62 -18.621 -12.547 -23.155 1.00 0.00 C ATOM 0 H ALA A 62 -20.796 -13.304 -25.085 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.026 -12.450 -25.208 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.638 -12.849 -22.795 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.721 -11.465 -23.073 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.391 -13.029 -22.553 1.00 0.00 H new ATOM 992 N SER A 63 -17.273 -14.838 -24.852 1.00 0.00 N ATOM 993 CA SER A 63 -16.895 -16.238 -25.020 1.00 0.00 C ATOM 994 C SER A 63 -15.598 -16.568 -24.285 1.00 0.00 C ATOM 995 O SER A 63 -14.798 -15.684 -23.975 1.00 0.00 O ATOM 996 CB SER A 63 -16.740 -16.564 -26.507 1.00 0.00 C ATOM 997 OG SER A 63 -15.599 -15.927 -27.054 1.00 0.00 O ATOM 0 H SER A 63 -16.485 -14.192 -24.808 1.00 0.00 H new ATOM 0 HA SER A 63 -17.690 -16.847 -24.589 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.656 -17.643 -26.639 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.632 -16.245 -27.047 1.00 0.00 H new ATOM 0 HG SER A 63 -15.522 -16.153 -28.004 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.399 -17.858 -24.022 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.202 -18.318 -23.338 1.00 0.00 C ATOM 1005 C GLY A 64 -13.858 -19.746 -23.720 1.00 0.00 C ATOM 1006 O GLY A 64 -14.498 -20.690 -23.256 1.00 0.00 O ATOM 0 H GLY A 64 -16.053 -18.599 -24.274 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.366 -17.663 -23.584 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.350 -18.254 -22.260 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.862 -19.905 -24.587 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.454 -21.228 -25.053 1.00 0.00 C ATOM 1012 C LYS A 65 -11.144 -21.687 -24.421 1.00 0.00 C ATOM 1013 O LYS A 65 -10.276 -22.235 -25.101 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.322 -21.228 -26.579 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.483 -20.554 -27.290 1.00 0.00 C ATOM 1016 CD LYS A 65 -13.216 -19.074 -27.515 1.00 0.00 C ATOM 1017 CE LYS A 65 -13.808 -18.593 -28.829 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.082 -19.152 -30.003 1.00 0.00 N ATOM 0 H LYS A 65 -12.322 -19.135 -24.981 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.228 -21.931 -24.747 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.396 -20.724 -26.855 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.241 -22.257 -26.928 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.657 -21.043 -28.248 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.392 -20.675 -26.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.639 -18.498 -26.692 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.141 -18.893 -27.511 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.858 -18.881 -28.881 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.774 -17.504 -28.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.273 -18.566 -30.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.060 -19.157 -29.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.405 -20.124 -30.180 1.00 0.00 H new ATOM 1032 N HIS A 66 -11.013 -21.489 -23.116 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.813 -21.918 -22.404 1.00 0.00 C ATOM 1034 C HIS A 66 -9.825 -23.431 -22.213 1.00 0.00 C ATOM 1035 O HIS A 66 -10.886 -24.056 -22.224 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.701 -21.222 -21.047 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.311 -21.235 -20.489 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -7.955 -21.951 -19.365 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.182 -20.619 -20.912 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.668 -21.774 -19.121 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.178 -20.970 -20.046 1.00 0.00 N ATOM 0 H HIS A 66 -11.716 -21.038 -22.531 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.947 -21.640 -23.005 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.036 -20.189 -21.147 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.374 -21.708 -20.340 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.089 -19.972 -21.771 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.113 -22.212 -18.305 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.208 -20.660 -20.107 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.647 -24.019 -22.040 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.534 -25.461 -21.848 1.00 0.00 C ATOM 1052 C GLU A 67 -9.295 -25.918 -20.606 1.00 0.00 C ATOM 1053 O GLU A 67 -9.734 -27.065 -20.524 1.00 0.00 O ATOM 1054 CB GLU A 67 -7.062 -25.861 -21.729 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.379 -25.310 -20.488 1.00 0.00 C ATOM 1056 CD GLU A 67 -4.876 -25.508 -20.513 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.418 -26.615 -20.159 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -4.158 -24.557 -20.887 1.00 0.00 O ATOM 0 H GLU A 67 -7.757 -23.521 -22.029 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.975 -25.950 -22.717 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.989 -26.949 -21.721 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.527 -25.513 -22.613 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.600 -24.246 -20.398 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.791 -25.797 -19.604 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.437 -25.021 -19.635 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.134 -25.346 -18.394 1.00 0.00 C ATOM 1067 C ASP A 68 -11.582 -24.867 -18.433 1.00 0.00 C ATOM 1068 O ASP A 68 -11.850 -23.668 -18.514 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.409 -24.722 -17.200 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.795 -25.373 -15.886 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -10.292 -26.519 -15.914 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -9.602 -24.737 -14.829 1.00 0.00 O ATOM 0 H ASP A 68 -9.080 -24.067 -19.682 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.137 -26.431 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.332 -24.812 -17.345 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.637 -23.657 -17.156 1.00 0.00 H new ATOM 1077 N MET A 69 -12.511 -25.817 -18.370 1.00 0.00 N ATOM 1078 CA MET A 69 -13.940 -25.510 -18.393 1.00 0.00 C ATOM 1079 C MET A 69 -14.282 -24.376 -17.430 1.00 0.00 C ATOM 1080 O MET A 69 -15.045 -23.470 -17.768 1.00 0.00 O ATOM 1081 CB MET A 69 -14.753 -26.754 -18.036 1.00 0.00 C ATOM 1082 CG MET A 69 -16.252 -26.573 -18.216 1.00 0.00 C ATOM 1083 SD MET A 69 -17.212 -27.429 -16.952 1.00 0.00 S ATOM 1084 CE MET A 69 -18.830 -26.705 -17.208 1.00 0.00 C ATOM 0 H MET A 69 -12.299 -26.812 -18.302 1.00 0.00 H new ATOM 0 HA MET A 69 -14.194 -25.188 -19.403 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.419 -27.586 -18.655 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.550 -27.026 -17.000 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.491 -25.510 -18.191 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.543 -26.942 -19.200 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.589 -27.486 -17.163 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.024 -25.964 -16.432 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.863 -26.224 -18.185 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.718 -24.435 -16.228 1.00 0.00 N ATOM 1095 CA TYR A 70 -13.970 -23.416 -15.216 1.00 0.00 C ATOM 1096 C TYR A 70 -13.384 -22.073 -15.639 1.00 0.00 C ATOM 1097 O TYR A 70 -14.016 -21.031 -15.471 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.379 -23.845 -13.873 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.245 -24.829 -13.118 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.094 -26.198 -13.301 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.211 -24.389 -12.223 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -14.884 -27.100 -12.614 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -16.004 -25.286 -11.532 1.00 0.00 C ATOM 1104 CZ TYR A 70 -15.837 -26.639 -11.731 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.625 -27.535 -11.045 1.00 0.00 O ATOM 0 H TYR A 70 -13.084 -25.177 -15.931 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.049 -23.303 -15.110 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.399 -24.291 -14.042 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.224 -22.961 -13.255 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.348 -26.563 -13.991 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.345 -23.329 -12.064 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.755 -28.161 -12.768 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.751 -24.928 -10.839 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.244 -27.047 -10.463 1.00 0.00 H new ATOM 1115 N THR A 71 -12.175 -22.107 -16.187 1.00 0.00 N ATOM 1116 CA THR A 71 -11.507 -20.890 -16.634 1.00 0.00 C ATOM 1117 C THR A 71 -12.255 -20.256 -17.803 1.00 0.00 C ATOM 1118 O THR A 71 -12.347 -19.034 -17.901 1.00 0.00 O ATOM 1119 CB THR A 71 -10.066 -21.195 -17.041 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.359 -21.797 -15.972 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.292 -19.966 -17.469 1.00 0.00 C ATOM 0 H THR A 71 -11.638 -22.962 -16.332 1.00 0.00 H new ATOM 0 HA THR A 71 -11.501 -20.183 -15.804 1.00 0.00 H new ATOM 0 HB THR A 71 -10.144 -21.871 -17.893 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.490 -22.116 -16.293 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.277 -20.253 -17.745 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.785 -19.506 -18.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.256 -19.253 -16.645 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.787 -21.094 -18.687 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.528 -20.609 -19.846 1.00 0.00 C ATOM 1131 C ALA A 72 -14.763 -19.826 -19.415 1.00 0.00 C ATOM 1132 O ALA A 72 -14.958 -18.685 -19.836 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.916 -21.763 -20.757 1.00 0.00 C ATOM 0 H ALA A 72 -12.719 -22.110 -18.623 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.878 -19.935 -20.404 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.468 -21.379 -21.615 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.016 -22.272 -21.102 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.542 -22.466 -20.207 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.590 -20.429 -18.569 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.792 -19.761 -18.089 1.00 0.00 C ATOM 1141 C ILE A 73 -16.421 -18.498 -17.315 1.00 0.00 C ATOM 1142 O ILE A 73 -17.056 -17.454 -17.469 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.647 -20.690 -17.202 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -18.176 -21.869 -18.021 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.796 -19.922 -16.566 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -18.101 -23.194 -17.292 1.00 0.00 C ATOM 0 H ILE A 73 -15.452 -21.371 -18.204 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.388 -19.490 -18.961 1.00 0.00 H new ATOM 0 HB ILE A 73 -17.016 -21.078 -16.403 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -19.212 -21.673 -18.297 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.608 -21.941 -18.948 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.385 -20.597 -15.945 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.398 -19.116 -15.949 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.429 -19.502 -17.347 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.493 -23.984 -17.932 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.063 -23.412 -17.040 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.693 -23.141 -16.378 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.378 -18.594 -16.499 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.916 -17.452 -15.723 1.00 0.00 C ATOM 1160 C ASN A 74 -14.429 -16.350 -16.659 1.00 0.00 C ATOM 1161 O ASN A 74 -14.684 -15.167 -16.429 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.790 -17.869 -14.773 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.049 -17.435 -13.344 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -14.783 -16.479 -13.096 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.444 -18.140 -12.393 1.00 0.00 N ATOM 0 H ASN A 74 -14.838 -19.448 -16.358 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.748 -17.074 -15.129 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.674 -18.952 -14.805 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.850 -17.437 -15.116 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.580 -17.895 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.844 -18.925 -12.644 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.738 -16.752 -17.722 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.225 -15.807 -18.708 1.00 0.00 C ATOM 1174 C GLU A 75 -14.375 -15.135 -19.452 1.00 0.00 C ATOM 1175 O GLU A 75 -14.347 -13.927 -19.686 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.292 -16.512 -19.695 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.818 -16.298 -19.394 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.953 -16.374 -20.637 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -10.246 -15.648 -21.610 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -8.982 -17.161 -20.638 1.00 0.00 O ATOM 0 H GLU A 75 -13.520 -17.728 -17.922 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.656 -15.040 -18.183 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.505 -17.581 -19.684 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.505 -16.154 -20.703 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.685 -15.325 -18.922 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.485 -17.048 -18.677 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.394 -15.913 -19.806 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.552 -15.368 -20.502 1.00 0.00 C ATOM 1189 C LEU A 76 -17.103 -14.178 -19.720 1.00 0.00 C ATOM 1190 O LEU A 76 -17.096 -13.048 -20.209 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.626 -16.446 -20.690 1.00 0.00 C ATOM 1192 CG LEU A 76 -19.035 -15.925 -21.012 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.535 -16.511 -22.323 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -20.001 -16.250 -19.880 1.00 0.00 C ATOM 0 H LEU A 76 -15.440 -16.915 -19.623 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.248 -15.028 -21.492 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.311 -17.112 -21.493 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.678 -17.045 -19.781 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.982 -14.841 -21.117 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.534 -16.130 -22.534 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.860 -16.226 -23.130 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.569 -17.598 -22.246 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.993 -15.872 -20.128 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -20.048 -17.330 -19.741 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.654 -15.781 -18.960 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.552 -14.429 -18.495 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.069 -13.359 -17.651 1.00 0.00 C ATOM 1208 C ILE A 77 -17.017 -12.263 -17.499 1.00 0.00 C ATOM 1209 O ILE A 77 -17.352 -11.087 -17.350 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.491 -13.870 -16.259 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.441 -15.063 -16.396 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.146 -12.754 -15.458 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.171 -16.167 -15.396 1.00 0.00 C ATOM 0 H ILE A 77 -17.569 -15.355 -18.068 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.957 -12.958 -18.139 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.599 -14.198 -15.724 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.467 -14.716 -16.274 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.359 -15.469 -17.404 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.438 -13.132 -14.478 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.440 -11.932 -15.335 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.030 -12.397 -15.987 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.881 -16.980 -15.551 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.156 -16.541 -15.532 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.281 -15.777 -14.384 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.744 -12.646 -17.574 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.657 -11.703 -17.483 1.00 0.00 C ATOM 1227 C ASN A 78 -14.769 -10.662 -18.596 1.00 0.00 C ATOM 1228 O ASN A 78 -14.373 -9.508 -18.430 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.346 -12.464 -17.593 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.273 -11.901 -16.697 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -11.630 -10.901 -17.017 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.079 -12.551 -15.562 1.00 0.00 N ATOM 0 H ASN A 78 -15.449 -13.615 -17.699 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.696 -11.179 -16.528 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.515 -13.510 -17.338 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.001 -12.439 -18.627 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.369 -12.228 -14.904 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.639 -13.375 -15.344 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.333 -11.088 -19.725 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.532 -10.213 -20.875 1.00 0.00 C ATOM 1241 C LYS A 79 -16.852 -9.469 -20.754 1.00 0.00 C ATOM 1242 O LYS A 79 -16.978 -8.348 -21.245 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.480 -10.995 -22.183 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.079 -11.409 -22.616 1.00 0.00 C ATOM 1245 CD LYS A 79 -12.983 -10.540 -22.008 1.00 0.00 C ATOM 1246 CE LYS A 79 -13.020 -9.124 -22.560 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.973 -8.905 -23.597 1.00 0.00 N ATOM 0 H LYS A 79 -15.662 -12.043 -19.866 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.719 -9.487 -20.887 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.094 -11.890 -22.082 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.926 -10.389 -22.972 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.910 -12.448 -22.332 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.012 -11.360 -23.703 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.099 -10.512 -20.925 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.009 -10.985 -22.212 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.003 -8.927 -22.989 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.879 -8.413 -21.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.031 -7.928 -23.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.034 -9.068 -23.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.122 -9.566 -24.386 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.824 -10.058 -20.067 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.097 -9.379 -19.867 1.00 0.00 C ATOM 1263 C LEU A 80 -18.839 -8.127 -19.039 1.00 0.00 C ATOM 1264 O LEU A 80 -19.253 -7.025 -19.397 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.104 -10.293 -19.167 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.474 -11.561 -19.936 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.353 -12.465 -19.086 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.173 -11.208 -21.240 1.00 0.00 C ATOM 0 H LEU A 80 -17.758 -10.985 -19.647 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.527 -9.109 -20.832 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.697 -10.581 -18.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.014 -9.725 -18.975 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.556 -12.100 -20.172 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.606 -13.362 -19.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.817 -12.746 -18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.267 -11.936 -18.818 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.429 -12.123 -21.775 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.082 -10.646 -21.025 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.509 -10.602 -21.856 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.106 -8.317 -17.949 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.720 -7.232 -17.067 1.00 0.00 C ATOM 1282 C GLU A 81 -16.890 -6.200 -17.823 1.00 0.00 C ATOM 1283 O GLU A 81 -17.156 -5.000 -17.759 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.910 -7.795 -15.907 1.00 0.00 C ATOM 1285 CG GLU A 81 -17.079 -7.025 -14.612 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.171 -7.532 -13.507 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -16.449 -8.620 -12.963 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -15.182 -6.838 -13.188 1.00 0.00 O ATOM 0 H GLU A 81 -17.764 -9.232 -17.654 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.618 -6.743 -16.688 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.201 -8.832 -15.743 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.855 -7.800 -16.181 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.872 -5.970 -14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.116 -7.095 -14.285 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.876 -6.685 -18.529 1.00 0.00 N ATOM 1296 CA ARG A 82 -14.986 -5.819 -19.297 1.00 0.00 C ATOM 1297 C ARG A 82 -15.734 -5.104 -20.421 1.00 0.00 C ATOM 1298 O ARG A 82 -15.324 -4.031 -20.865 1.00 0.00 O ATOM 1299 CB ARG A 82 -13.831 -6.635 -19.881 1.00 0.00 C ATOM 1300 CG ARG A 82 -12.613 -6.703 -18.974 1.00 0.00 C ATOM 1301 CD ARG A 82 -11.325 -6.811 -19.776 1.00 0.00 C ATOM 1302 NE ARG A 82 -10.414 -7.809 -19.217 1.00 0.00 N ATOM 1303 CZ ARG A 82 -9.211 -8.078 -19.720 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -8.770 -7.427 -20.790 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -8.446 -9.000 -19.152 1.00 0.00 N ATOM 0 H ARG A 82 -15.648 -7.677 -18.586 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.591 -5.063 -18.618 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.179 -7.648 -20.084 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.538 -6.201 -20.837 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.577 -5.814 -18.344 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.701 -7.562 -18.308 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.561 -7.073 -20.807 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.830 -5.840 -19.799 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.718 -8.329 -18.394 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.354 -6.716 -21.231 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.847 -7.638 -21.171 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.779 -9.503 -18.330 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.524 -9.206 -19.537 1.00 0.00 H new ATOM 1319 N GLN A 83 -16.830 -5.701 -20.879 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.626 -5.114 -21.951 1.00 0.00 C ATOM 1321 C GLN A 83 -18.422 -3.920 -21.439 1.00 0.00 C ATOM 1322 O GLN A 83 -18.457 -2.867 -22.074 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.577 -6.159 -22.537 1.00 0.00 C ATOM 1324 CG GLN A 83 -17.962 -6.987 -23.652 1.00 0.00 C ATOM 1325 CD GLN A 83 -18.900 -8.062 -24.162 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.502 -7.925 -25.227 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -19.031 -9.141 -23.400 1.00 0.00 N ATOM 0 H GLN A 83 -17.186 -6.589 -20.525 1.00 0.00 H new ATOM 0 HA GLN A 83 -16.947 -4.771 -22.732 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.905 -6.826 -21.740 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.466 -5.656 -22.918 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.684 -6.331 -24.477 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.044 -7.451 -23.291 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.513 -9.213 -22.524 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.650 -9.898 -23.690 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.058 -4.092 -20.288 1.00 0.00 N ATOM 1337 CA LEU A 84 -19.851 -3.028 -19.688 1.00 0.00 C ATOM 1338 C LEU A 84 -18.966 -1.851 -19.291 1.00 0.00 C ATOM 1339 O LEU A 84 -19.413 -0.704 -19.272 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.596 -3.553 -18.461 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.739 -4.528 -18.762 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.497 -5.867 -18.079 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.072 -3.940 -18.324 1.00 0.00 C ATOM 0 H LEU A 84 -19.040 -4.959 -19.751 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.575 -2.685 -20.427 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.880 -4.048 -17.805 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -20.999 -2.704 -17.909 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.772 -4.693 -19.839 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.320 -6.545 -18.305 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.563 -6.297 -18.441 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.435 -5.719 -17.001 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.872 -4.647 -18.546 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.048 -3.743 -17.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.252 -3.008 -18.860 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.706 -2.141 -18.980 1.00 0.00 N ATOM 1356 CA ASN A 85 -16.756 -1.106 -18.592 1.00 0.00 C ATOM 1357 C ASN A 85 -16.549 -0.122 -19.737 1.00 0.00 C ATOM 1358 O ASN A 85 -16.252 1.052 -19.518 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.420 -1.731 -18.188 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.641 -0.859 -17.223 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -14.459 -1.211 -16.058 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.178 0.289 -17.704 1.00 0.00 N ATOM 0 H ASN A 85 -17.320 -3.085 -18.989 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.163 -0.568 -17.736 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.601 -2.703 -17.730 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.819 -1.906 -19.081 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.648 0.918 -17.101 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.352 0.542 -18.677 1.00 0.00 H new ATOM 1369 N LYS A 86 -16.716 -0.614 -20.962 1.00 0.00 N ATOM 1370 CA LYS A 86 -16.558 0.214 -22.149 1.00 0.00 C ATOM 1371 C LYS A 86 -17.726 1.182 -22.280 1.00 0.00 C ATOM 1372 O LYS A 86 -17.587 2.284 -22.811 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.458 -0.675 -23.392 1.00 0.00 C ATOM 1374 CG LYS A 86 -17.800 -1.049 -24.010 1.00 0.00 C ATOM 1375 CD LYS A 86 -18.158 -0.130 -25.168 1.00 0.00 C ATOM 1376 CE LYS A 86 -18.057 -0.849 -26.504 1.00 0.00 C ATOM 1377 NZ LYS A 86 -16.781 -0.540 -27.206 1.00 0.00 N ATOM 0 H LYS A 86 -16.961 -1.585 -21.156 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.641 0.795 -22.056 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.857 -0.162 -24.143 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.926 -1.589 -23.128 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.765 -2.080 -24.361 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.579 -0.997 -23.249 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.171 0.248 -25.033 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.493 0.733 -25.167 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.132 -1.925 -26.344 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.898 -0.561 -27.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.751 -1.049 -28.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.720 0.483 -27.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.979 -0.838 -26.615 1.00 0.00 H new