USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 Single : A 3 MET CE :methyl 151:sc= -0.599 (180deg=-2.97!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.064) USER MOD Single : A 7 GLN : amide:sc= -1.65 K(o=-1.6,f=-3.9!) USER MOD Single : A 15 SER OG : rot -170:sc=-0.00935 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -160:sc= -0.0291 (180deg=-0.826) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00672 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 167:sc= -0.432 (180deg=-1.02) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.069 K(o=-0.069,f=-0.96) USER MOD Single : A 54 THR OG1 : rot 130:sc= -1.51! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 161:sc= -0.214 (180deg=-1.24) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0739 X(o=-0.074,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -11.126 -3.056 -7.027 1.00 0.00 N ATOM 25 CA MET A 3 -10.269 -3.914 -6.161 1.00 0.00 C ATOM 26 C MET A 3 -11.080 -5.110 -5.661 1.00 0.00 C ATOM 27 O MET A 3 -10.890 -5.584 -4.559 1.00 0.00 O ATOM 28 CB MET A 3 -9.782 -3.098 -4.962 1.00 0.00 C ATOM 29 CG MET A 3 -8.259 -2.975 -5.012 1.00 0.00 C ATOM 30 SD MET A 3 -7.798 -1.690 -6.202 1.00 0.00 S ATOM 31 CE MET A 3 -8.708 -0.326 -5.436 1.00 0.00 C ATOM 0 HA MET A 3 -9.414 -4.269 -6.736 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.238 -2.108 -4.973 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.088 -3.579 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 3 -7.871 -2.728 -4.024 1.00 0.00 H new ATOM 0 HG3 MET A 3 -7.815 -3.928 -5.299 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.202 0.615 -5.651 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.721 -0.294 -5.837 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.750 -0.477 -4.357 1.00 0.00 H new ATOM 41 N THR A 4 -11.986 -5.601 -6.461 1.00 0.00 N ATOM 42 CA THR A 4 -12.806 -6.764 -6.025 1.00 0.00 C ATOM 43 C THR A 4 -11.980 -8.049 -6.152 1.00 0.00 C ATOM 44 O THR A 4 -11.143 -8.337 -5.320 1.00 0.00 O ATOM 45 CB THR A 4 -14.058 -6.861 -6.897 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.914 -5.762 -6.618 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.787 -8.170 -6.594 1.00 0.00 C ATOM 0 H THR A 4 -12.193 -5.248 -7.395 1.00 0.00 H new ATOM 0 HA THR A 4 -13.104 -6.632 -4.985 1.00 0.00 H new ATOM 0 HB THR A 4 -13.774 -6.840 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.716 -5.822 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.680 -8.241 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.128 -9.011 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.073 -8.192 -5.543 1.00 0.00 H new ATOM 55 N ASP A 5 -12.195 -8.821 -7.186 1.00 0.00 N ATOM 56 CA ASP A 5 -11.406 -10.074 -7.346 1.00 0.00 C ATOM 57 C ASP A 5 -9.923 -9.740 -7.221 1.00 0.00 C ATOM 58 O ASP A 5 -9.132 -10.526 -6.738 1.00 0.00 O ATOM 59 CB ASP A 5 -11.680 -10.682 -8.724 1.00 0.00 C ATOM 60 CG ASP A 5 -12.957 -11.521 -8.670 1.00 0.00 C ATOM 61 OD1 ASP A 5 -13.013 -12.428 -7.854 1.00 0.00 O ATOM 62 OD2 ASP A 5 -13.859 -11.244 -9.444 1.00 0.00 O ATOM 0 H ASP A 5 -12.878 -8.638 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.691 -10.792 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.783 -9.892 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.838 -11.302 -9.033 1.00 0.00 H new ATOM 67 N GLN A 6 -9.543 -8.568 -7.648 1.00 0.00 N ATOM 68 CA GLN A 6 -8.114 -8.163 -7.554 1.00 0.00 C ATOM 69 C GLN A 6 -7.651 -8.290 -6.102 1.00 0.00 C ATOM 70 O GLN A 6 -6.629 -8.882 -5.813 1.00 0.00 O ATOM 71 CB GLN A 6 -7.975 -6.710 -8.013 1.00 0.00 C ATOM 72 CG GLN A 6 -6.493 -6.342 -8.107 1.00 0.00 C ATOM 73 CD GLN A 6 -6.131 -6.043 -9.563 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.132 -6.929 -10.395 1.00 0.00 O ATOM 75 NE2 GLN A 6 -5.822 -4.824 -9.908 1.00 0.00 N ATOM 0 H GLN A 6 -10.164 -7.871 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.502 -8.805 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.456 -6.576 -8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.481 -6.046 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.283 -5.473 -7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.880 -7.160 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.821 -4.081 -9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.581 -4.614 -10.877 1.00 0.00 H new ATOM 84 N GLN A 7 -8.401 -7.742 -5.185 1.00 0.00 N ATOM 85 CA GLN A 7 -8.013 -7.831 -3.750 1.00 0.00 C ATOM 86 C GLN A 7 -8.200 -9.271 -3.266 1.00 0.00 C ATOM 87 O GLN A 7 -7.562 -9.710 -2.329 1.00 0.00 O ATOM 88 CB GLN A 7 -8.896 -6.884 -2.929 1.00 0.00 C ATOM 89 CG GLN A 7 -8.831 -7.262 -1.447 1.00 0.00 C ATOM 90 CD GLN A 7 -10.039 -8.129 -1.087 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.903 -9.133 -0.416 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.224 -7.781 -1.510 1.00 0.00 N ATOM 0 H GLN A 7 -9.267 -7.236 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.969 -7.544 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.565 -5.855 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.926 -6.937 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.907 -7.802 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.820 -6.362 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.337 -6.938 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.037 -8.352 -1.277 1.00 0.00 H new ATOM 101 N ALA A 8 -9.069 -10.012 -3.900 1.00 0.00 N ATOM 102 CA ALA A 8 -9.294 -11.422 -3.476 1.00 0.00 C ATOM 103 C ALA A 8 -8.081 -12.269 -3.862 1.00 0.00 C ATOM 104 O ALA A 8 -7.828 -13.310 -3.287 1.00 0.00 O ATOM 105 CB ALA A 8 -10.539 -11.974 -4.174 1.00 0.00 C ATOM 0 H ALA A 8 -9.632 -9.701 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.436 -11.457 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.703 -13.006 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.406 -11.371 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.396 -11.939 -5.254 1.00 0.00 H new ATOM 111 N GLU A 9 -7.327 -11.832 -4.833 1.00 0.00 N ATOM 112 CA GLU A 9 -6.130 -12.612 -5.256 1.00 0.00 C ATOM 113 C GLU A 9 -4.944 -12.258 -4.358 1.00 0.00 C ATOM 114 O GLU A 9 -4.119 -13.094 -4.045 1.00 0.00 O ATOM 115 CB GLU A 9 -5.790 -12.277 -6.709 1.00 0.00 C ATOM 116 CG GLU A 9 -6.826 -12.916 -7.636 1.00 0.00 C ATOM 117 CD GLU A 9 -6.585 -12.448 -9.072 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.963 -11.413 -9.241 1.00 0.00 O ATOM 119 OE2 GLU A 9 -7.029 -13.133 -9.979 1.00 0.00 O ATOM 0 H GLU A 9 -7.488 -10.969 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.343 -13.678 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.777 -11.196 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.793 -12.643 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.758 -14.002 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.832 -12.643 -7.317 1.00 0.00 H new ATOM 126 N ALA A 10 -4.853 -11.027 -3.937 1.00 0.00 N ATOM 127 CA ALA A 10 -3.720 -10.622 -3.058 1.00 0.00 C ATOM 128 C ALA A 10 -3.848 -11.330 -1.708 1.00 0.00 C ATOM 129 O ALA A 10 -2.873 -11.554 -1.018 1.00 0.00 O ATOM 130 CB ALA A 10 -3.756 -9.108 -2.845 1.00 0.00 C ATOM 0 H ALA A 10 -5.514 -10.284 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.776 -10.900 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.927 -8.811 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.668 -8.603 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.699 -8.829 -2.374 1.00 0.00 H new ATOM 136 N ARG A 11 -5.045 -11.685 -1.326 1.00 0.00 N ATOM 137 CA ARG A 11 -5.237 -12.378 -0.021 1.00 0.00 C ATOM 138 C ARG A 11 -5.006 -13.881 -0.202 1.00 0.00 C ATOM 139 O ARG A 11 -4.644 -14.578 0.726 1.00 0.00 O ATOM 140 CB ARG A 11 -6.662 -12.137 0.480 1.00 0.00 C ATOM 141 CG ARG A 11 -6.991 -10.646 0.384 1.00 0.00 C ATOM 142 CD ARG A 11 -7.220 -10.085 1.788 1.00 0.00 C ATOM 143 NE ARG A 11 -8.646 -10.278 2.175 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.034 -10.017 3.394 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.397 -10.538 4.406 1.00 0.00 N ATOM 146 NH2 ARG A 11 -10.059 -9.235 3.599 1.00 0.00 N ATOM 0 H ARG A 11 -5.898 -11.525 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.526 -11.986 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.370 -12.716 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.758 -12.476 1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.175 -10.113 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.880 -10.497 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.567 -10.587 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.966 -9.025 1.814 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.320 -10.614 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.596 -11.149 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.700 -10.334 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.557 -8.828 2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.362 -9.031 4.551 1.00 0.00 H new ATOM 160 N ALA A 12 -5.213 -14.385 -1.388 1.00 0.00 N ATOM 161 CA ALA A 12 -5.007 -15.842 -1.625 1.00 0.00 C ATOM 162 C ALA A 12 -3.629 -16.261 -1.107 1.00 0.00 C ATOM 163 O ALA A 12 -3.511 -17.126 -0.262 1.00 0.00 O ATOM 164 CB ALA A 12 -5.096 -16.131 -3.126 1.00 0.00 C ATOM 0 H ALA A 12 -5.516 -13.851 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.777 -16.405 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.946 -17.196 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.079 -15.838 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.327 -15.565 -3.652 1.00 0.00 H new ATOM 170 N PHE A 13 -2.584 -15.659 -1.607 1.00 0.00 N ATOM 171 CA PHE A 13 -1.216 -16.029 -1.142 1.00 0.00 C ATOM 172 C PHE A 13 -0.944 -15.384 0.217 1.00 0.00 C ATOM 173 O PHE A 13 -0.065 -15.797 0.947 1.00 0.00 O ATOM 174 CB PHE A 13 -0.181 -15.539 -2.156 1.00 0.00 C ATOM 175 CG PHE A 13 1.205 -15.890 -1.671 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.484 -17.192 -1.235 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.209 -14.916 -1.654 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.769 -17.518 -0.784 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.494 -15.243 -1.204 1.00 0.00 C ATOM 180 CZ PHE A 13 3.775 -16.544 -0.769 1.00 0.00 C ATOM 0 H PHE A 13 -2.618 -14.927 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.147 -17.113 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.364 -15.996 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.269 -14.461 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.709 -17.944 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.993 -13.912 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.984 -18.521 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.269 -14.491 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.766 -16.796 -0.422 1.00 0.00 H new ATOM 190 N LEU A 14 -1.693 -14.374 0.566 1.00 0.00 N ATOM 191 CA LEU A 14 -1.476 -13.703 1.879 1.00 0.00 C ATOM 192 C LEU A 14 -2.254 -14.450 2.964 1.00 0.00 C ATOM 193 O LEU A 14 -3.304 -14.018 3.397 1.00 0.00 O ATOM 194 CB LEU A 14 -1.968 -12.256 1.799 1.00 0.00 C ATOM 195 CG LEU A 14 -0.795 -11.327 1.472 1.00 0.00 C ATOM 196 CD1 LEU A 14 0.078 -11.148 2.716 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.043 -11.932 0.343 1.00 0.00 C ATOM 0 H LEU A 14 -2.446 -13.984 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.414 -13.711 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.739 -12.166 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.422 -11.964 2.746 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.181 -10.358 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.913 -10.487 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.517 -10.712 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.461 -12.118 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.877 -11.268 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.428 -12.903 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.578 -12.056 -0.544 1.00 0.00 H new ATOM 209 N SER A 15 -1.749 -15.569 3.406 1.00 0.00 N ATOM 210 CA SER A 15 -2.461 -16.343 4.461 1.00 0.00 C ATOM 211 C SER A 15 -2.888 -15.398 5.586 1.00 0.00 C ATOM 212 O SER A 15 -2.509 -14.243 5.617 1.00 0.00 O ATOM 213 CB SER A 15 -1.529 -17.416 5.022 1.00 0.00 C ATOM 214 OG SER A 15 -0.509 -16.795 5.793 1.00 0.00 O ATOM 0 H SER A 15 -0.874 -15.981 3.082 1.00 0.00 H new ATOM 0 HA SER A 15 -3.343 -16.817 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.092 -18.117 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.087 -17.991 4.209 1.00 0.00 H new ATOM 0 HG SER A 15 0.176 -17.457 6.022 1.00 0.00 H new ATOM 220 N GLU A 16 -3.674 -15.877 6.510 1.00 0.00 N ATOM 221 CA GLU A 16 -4.125 -15.005 7.630 1.00 0.00 C ATOM 222 C GLU A 16 -2.945 -14.709 8.559 1.00 0.00 C ATOM 223 O GLU A 16 -3.057 -13.936 9.490 1.00 0.00 O ATOM 224 CB GLU A 16 -5.226 -15.718 8.419 1.00 0.00 C ATOM 225 CG GLU A 16 -6.558 -14.998 8.203 1.00 0.00 C ATOM 226 CD GLU A 16 -7.602 -15.558 9.171 1.00 0.00 C ATOM 227 OE1 GLU A 16 -7.525 -15.235 10.345 1.00 0.00 O ATOM 228 OE2 GLU A 16 -8.459 -16.300 8.722 1.00 0.00 O ATOM 0 H GLU A 16 -4.023 -16.835 6.538 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.512 -14.069 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.305 -16.756 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.976 -15.732 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.435 -13.927 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.892 -15.130 7.174 1.00 0.00 H new ATOM 235 N GLU A 17 -1.816 -15.316 8.317 1.00 0.00 N ATOM 236 CA GLU A 17 -0.635 -15.066 9.190 1.00 0.00 C ATOM 237 C GLU A 17 0.074 -13.787 8.740 1.00 0.00 C ATOM 238 O GLU A 17 0.771 -13.151 9.506 1.00 0.00 O ATOM 239 CB GLU A 17 0.331 -16.249 9.092 1.00 0.00 C ATOM 240 CG GLU A 17 1.665 -15.878 9.742 1.00 0.00 C ATOM 241 CD GLU A 17 2.286 -17.122 10.380 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.426 -18.113 9.683 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.613 -17.063 11.553 1.00 0.00 O ATOM 0 H GLU A 17 -1.660 -15.974 7.553 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.965 -14.951 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.096 -17.122 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.487 -16.519 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.342 -15.463 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.512 -15.107 10.497 1.00 0.00 H new ATOM 250 N MET A 18 -0.096 -13.404 7.504 1.00 0.00 N ATOM 251 CA MET A 18 0.571 -12.165 7.013 1.00 0.00 C ATOM 252 C MET A 18 -0.278 -10.948 7.383 1.00 0.00 C ATOM 253 O MET A 18 0.172 -10.052 8.069 1.00 0.00 O ATOM 254 CB MET A 18 0.727 -12.232 5.492 1.00 0.00 C ATOM 255 CG MET A 18 2.181 -11.939 5.114 1.00 0.00 C ATOM 256 SD MET A 18 3.270 -13.130 5.934 1.00 0.00 S ATOM 257 CE MET A 18 4.453 -13.324 4.579 1.00 0.00 C ATOM 0 H MET A 18 -0.666 -13.894 6.815 1.00 0.00 H new ATOM 0 HA MET A 18 1.555 -12.078 7.474 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.438 -13.218 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.064 -11.510 5.016 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.306 -12.000 4.033 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.447 -10.924 5.409 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.229 -14.031 4.872 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.936 -13.699 3.696 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.907 -12.360 4.352 1.00 0.00 H new ATOM 267 N ILE A 19 -1.503 -10.908 6.937 1.00 0.00 N ATOM 268 CA ILE A 19 -2.376 -9.747 7.266 1.00 0.00 C ATOM 269 C ILE A 19 -2.371 -9.520 8.778 1.00 0.00 C ATOM 270 O ILE A 19 -2.325 -8.401 9.248 1.00 0.00 O ATOM 271 CB ILE A 19 -3.803 -10.031 6.797 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.775 -10.483 5.336 1.00 0.00 C ATOM 273 CG2 ILE A 19 -4.644 -8.759 6.919 1.00 0.00 C ATOM 274 CD1 ILE A 19 -4.531 -11.804 5.196 1.00 0.00 C ATOM 0 H ILE A 19 -1.937 -11.628 6.360 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.001 -8.856 6.763 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.240 -10.815 7.415 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.229 -9.723 4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.745 -10.604 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.661 -8.962 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.662 -8.433 7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.209 -7.974 6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.511 -12.126 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.057 -12.562 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.565 -11.667 5.514 1.00 0.00 H new ATOM 286 N ALA A 20 -2.417 -10.575 9.543 1.00 0.00 N ATOM 287 CA ALA A 20 -2.412 -10.420 11.022 1.00 0.00 C ATOM 288 C ALA A 20 -1.119 -9.726 11.454 1.00 0.00 C ATOM 289 O ALA A 20 -1.111 -8.904 12.348 1.00 0.00 O ATOM 290 CB ALA A 20 -2.490 -11.801 11.675 1.00 0.00 C ATOM 0 H ALA A 20 -2.458 -11.537 9.207 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.268 -9.821 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.487 -11.691 12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.408 -12.299 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.631 -12.398 11.368 1.00 0.00 H new ATOM 296 N GLU A 21 -0.026 -10.048 10.820 1.00 0.00 N ATOM 297 CA GLU A 21 1.265 -9.406 11.189 1.00 0.00 C ATOM 298 C GLU A 21 1.459 -8.136 10.357 1.00 0.00 C ATOM 299 O GLU A 21 2.427 -7.419 10.519 1.00 0.00 O ATOM 300 CB GLU A 21 2.414 -10.377 10.914 1.00 0.00 C ATOM 301 CG GLU A 21 3.469 -10.245 12.014 1.00 0.00 C ATOM 302 CD GLU A 21 4.772 -10.895 11.552 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.166 -10.648 10.423 1.00 0.00 O ATOM 304 OE2 GLU A 21 5.355 -11.630 12.332 1.00 0.00 O ATOM 0 H GLU A 21 0.028 -10.728 10.062 1.00 0.00 H new ATOM 0 HA GLU A 21 1.253 -9.148 12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.039 -11.400 10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.859 -10.165 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.637 -9.194 12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.117 -10.721 12.929 1.00 0.00 H new ATOM 311 N PHE A 22 0.546 -7.851 9.469 1.00 0.00 N ATOM 312 CA PHE A 22 0.680 -6.629 8.631 1.00 0.00 C ATOM 313 C PHE A 22 0.122 -5.427 9.395 1.00 0.00 C ATOM 314 O PHE A 22 0.624 -4.326 9.288 1.00 0.00 O ATOM 315 CB PHE A 22 -0.098 -6.812 7.326 1.00 0.00 C ATOM 316 CG PHE A 22 0.806 -6.508 6.157 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.903 -5.199 5.669 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.549 -7.533 5.561 1.00 0.00 C ATOM 319 CE1 PHE A 22 1.744 -4.916 4.585 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.389 -7.251 4.477 1.00 0.00 C ATOM 321 CZ PHE A 22 2.486 -5.942 3.989 1.00 0.00 C ATOM 0 H PHE A 22 -0.286 -8.412 9.289 1.00 0.00 H new ATOM 0 HA PHE A 22 1.732 -6.460 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.474 -7.833 7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.965 -6.152 7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.329 -4.408 6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.474 -8.543 5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.820 -3.906 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.962 -8.043 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.134 -5.724 3.153 1.00 0.00 H new ATOM 331 N LYS A 23 -0.910 -5.628 10.167 1.00 0.00 N ATOM 332 CA LYS A 23 -1.492 -4.492 10.936 1.00 0.00 C ATOM 333 C LYS A 23 -0.394 -3.848 11.784 1.00 0.00 C ATOM 334 O LYS A 23 -0.507 -2.716 12.210 1.00 0.00 O ATOM 335 CB LYS A 23 -2.610 -5.006 11.847 1.00 0.00 C ATOM 336 CG LYS A 23 -2.118 -6.226 12.625 1.00 0.00 C ATOM 337 CD LYS A 23 -3.059 -6.494 13.803 1.00 0.00 C ATOM 338 CE LYS A 23 -2.244 -6.928 15.022 1.00 0.00 C ATOM 339 NZ LYS A 23 -1.700 -5.725 15.712 1.00 0.00 N ATOM 0 H LYS A 23 -1.374 -6.527 10.299 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.904 -3.755 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.919 -4.222 12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.485 -5.270 11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.080 -7.097 11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.104 -6.055 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.631 -5.596 14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.778 -7.270 13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.871 -7.500 15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.429 -7.583 14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.146 -6.021 16.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.089 -5.196 15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.485 -5.117 16.020 1.00 0.00 H new ATOM 353 N ALA A 24 0.671 -4.562 12.029 1.00 0.00 N ATOM 354 CA ALA A 24 1.780 -3.993 12.843 1.00 0.00 C ATOM 355 C ALA A 24 2.691 -3.161 11.939 1.00 0.00 C ATOM 356 O ALA A 24 3.162 -2.107 12.316 1.00 0.00 O ATOM 357 CB ALA A 24 2.587 -5.129 13.476 1.00 0.00 C ATOM 0 H ALA A 24 0.820 -5.516 11.700 1.00 0.00 H new ATOM 0 HA ALA A 24 1.369 -3.362 13.631 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.399 -4.711 14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.936 -5.724 14.116 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.002 -5.762 12.691 1.00 0.00 H new ATOM 363 N ALA A 25 2.939 -3.626 10.744 1.00 0.00 N ATOM 364 CA ALA A 25 3.814 -2.861 9.813 1.00 0.00 C ATOM 365 C ALA A 25 3.083 -1.597 9.359 1.00 0.00 C ATOM 366 O ALA A 25 3.693 -0.621 8.970 1.00 0.00 O ATOM 367 CB ALA A 25 4.146 -3.726 8.594 1.00 0.00 C ATOM 0 H ALA A 25 2.573 -4.503 10.373 1.00 0.00 H new ATOM 0 HA ALA A 25 4.738 -2.587 10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.786 -3.165 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.664 -4.629 8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.224 -4.001 8.081 1.00 0.00 H new ATOM 373 N PHE A 26 1.779 -1.605 9.412 1.00 0.00 N ATOM 374 CA PHE A 26 1.008 -0.403 8.991 1.00 0.00 C ATOM 375 C PHE A 26 0.903 0.560 10.175 1.00 0.00 C ATOM 376 O PHE A 26 0.761 1.754 10.005 1.00 0.00 O ATOM 377 CB PHE A 26 -0.393 -0.824 8.544 1.00 0.00 C ATOM 378 CG PHE A 26 -0.866 0.102 7.450 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.417 1.345 7.777 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.751 -0.283 6.108 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.852 2.207 6.764 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.187 0.579 5.094 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.738 1.824 5.422 1.00 0.00 C ATOM 0 H PHE A 26 1.215 -2.393 9.729 1.00 0.00 H new ATOM 0 HA PHE A 26 1.515 0.089 8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.379 -1.853 8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.082 -0.791 9.388 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.507 1.640 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.327 -1.244 5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.276 3.168 7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.098 0.284 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.075 2.489 4.640 1.00 0.00 H new ATOM 393 N ASP A 27 0.976 0.047 11.372 1.00 0.00 N ATOM 394 CA ASP A 27 0.889 0.932 12.567 1.00 0.00 C ATOM 395 C ASP A 27 2.154 1.785 12.651 1.00 0.00 C ATOM 396 O ASP A 27 2.103 2.964 12.937 1.00 0.00 O ATOM 397 CB ASP A 27 0.766 0.076 13.830 1.00 0.00 C ATOM 398 CG ASP A 27 -0.240 0.719 14.786 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.411 0.755 14.444 1.00 0.00 O ATOM 400 OD2 ASP A 27 0.177 1.165 15.842 1.00 0.00 O ATOM 0 H ASP A 27 1.092 -0.946 11.574 1.00 0.00 H new ATOM 0 HA ASP A 27 0.015 1.578 12.483 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.443 -0.932 13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.737 -0.016 14.316 1.00 0.00 H new ATOM 405 N MET A 28 3.291 1.195 12.399 1.00 0.00 N ATOM 406 CA MET A 28 4.560 1.971 12.457 1.00 0.00 C ATOM 407 C MET A 28 4.469 3.157 11.497 1.00 0.00 C ATOM 408 O MET A 28 4.654 4.294 11.880 1.00 0.00 O ATOM 409 CB MET A 28 5.728 1.069 12.052 1.00 0.00 C ATOM 410 CG MET A 28 6.413 0.527 13.307 1.00 0.00 C ATOM 411 SD MET A 28 8.117 0.060 12.913 1.00 0.00 S ATOM 412 CE MET A 28 7.733 -1.109 11.585 1.00 0.00 C ATOM 0 H MET A 28 3.395 0.210 12.156 1.00 0.00 H new ATOM 0 HA MET A 28 4.722 2.336 13.471 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.368 0.245 11.436 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.442 1.630 11.448 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.404 1.282 14.093 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.867 -0.336 13.688 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.581 -1.777 11.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.855 -1.694 11.858 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.531 -0.561 10.665 1.00 0.00 H new ATOM 422 N PHE A 29 4.178 2.903 10.250 1.00 0.00 N ATOM 423 CA PHE A 29 4.069 4.020 9.271 1.00 0.00 C ATOM 424 C PHE A 29 3.165 5.106 9.853 1.00 0.00 C ATOM 425 O PHE A 29 3.603 6.201 10.149 1.00 0.00 O ATOM 426 CB PHE A 29 3.466 3.500 7.964 1.00 0.00 C ATOM 427 CG PHE A 29 4.558 2.907 7.107 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.501 2.043 7.675 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.628 3.222 5.745 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.514 1.493 6.880 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.641 2.672 4.950 1.00 0.00 C ATOM 432 CZ PHE A 29 6.584 1.807 5.518 1.00 0.00 C ATOM 0 H PHE A 29 4.011 1.972 9.868 1.00 0.00 H new ATOM 0 HA PHE A 29 5.059 4.431 9.071 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.706 2.748 8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.971 4.312 7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.447 1.801 8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.901 3.889 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.242 0.826 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.695 2.915 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.365 1.382 4.905 1.00 0.00 H new ATOM 442 N ASP A 30 1.906 4.811 10.027 1.00 0.00 N ATOM 443 CA ASP A 30 0.976 5.823 10.598 1.00 0.00 C ATOM 444 C ASP A 30 0.762 5.529 12.084 1.00 0.00 C ATOM 445 O ASP A 30 0.244 4.494 12.453 1.00 0.00 O ATOM 446 CB ASP A 30 -0.365 5.758 9.867 1.00 0.00 C ATOM 447 CG ASP A 30 -0.895 7.176 9.649 1.00 0.00 C ATOM 448 OD1 ASP A 30 -0.828 7.961 10.580 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.356 7.454 8.554 1.00 0.00 O ATOM 0 H ASP A 30 1.482 3.912 9.798 1.00 0.00 H new ATOM 0 HA ASP A 30 1.403 6.819 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.245 5.252 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.080 5.176 10.448 1.00 0.00 H new ATOM 454 N ALA A 31 1.159 6.430 12.939 1.00 0.00 N ATOM 455 CA ALA A 31 0.979 6.199 14.400 1.00 0.00 C ATOM 456 C ALA A 31 0.178 7.354 15.006 1.00 0.00 C ATOM 457 O ALA A 31 -0.134 7.356 16.180 1.00 0.00 O ATOM 458 CB ALA A 31 2.350 6.123 15.074 1.00 0.00 C ATOM 0 H ALA A 31 1.600 7.315 12.690 1.00 0.00 H new ATOM 0 HA ALA A 31 0.442 5.264 14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.221 5.954 16.143 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.922 5.301 14.643 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.885 7.059 14.917 1.00 0.00 H new ATOM 464 N ASP A 32 -0.156 8.336 14.214 1.00 0.00 N ATOM 465 CA ASP A 32 -0.936 9.489 14.746 1.00 0.00 C ATOM 466 C ASP A 32 -2.254 9.608 13.981 1.00 0.00 C ATOM 467 O ASP A 32 -3.170 10.287 14.403 1.00 0.00 O ATOM 468 CB ASP A 32 -0.123 10.773 14.568 1.00 0.00 C ATOM 469 CG ASP A 32 -0.865 11.943 15.215 1.00 0.00 C ATOM 470 OD1 ASP A 32 -1.304 11.789 16.343 1.00 0.00 O ATOM 471 OD2 ASP A 32 -0.983 12.973 14.571 1.00 0.00 O ATOM 0 H ASP A 32 0.077 8.390 13.222 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.145 9.333 15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.861 10.658 15.022 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.036 10.971 13.508 1.00 0.00 H new ATOM 476 N GLY A 33 -2.361 8.952 12.858 1.00 0.00 N ATOM 477 CA GLY A 33 -3.621 9.028 12.066 1.00 0.00 C ATOM 478 C GLY A 33 -4.585 7.937 12.536 1.00 0.00 C ATOM 479 O GLY A 33 -5.749 8.188 12.781 1.00 0.00 O ATOM 0 H GLY A 33 -1.630 8.366 12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.080 10.010 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.404 8.904 11.005 1.00 0.00 H new ATOM 483 N GLY A 34 -4.112 6.728 12.664 1.00 0.00 N ATOM 484 CA GLY A 34 -5.004 5.624 13.119 1.00 0.00 C ATOM 485 C GLY A 34 -4.820 4.406 12.212 1.00 0.00 C ATOM 486 O GLY A 34 -5.215 3.306 12.547 1.00 0.00 O ATOM 0 H GLY A 34 -3.147 6.457 12.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.774 5.359 14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.043 5.951 13.098 1.00 0.00 H new ATOM 490 N GLY A 35 -4.222 4.590 11.067 1.00 0.00 N ATOM 491 CA GLY A 35 -4.013 3.439 10.142 1.00 0.00 C ATOM 492 C GLY A 35 -4.405 3.846 8.721 1.00 0.00 C ATOM 493 O GLY A 35 -5.290 3.270 8.120 1.00 0.00 O ATOM 0 H GLY A 35 -3.869 5.486 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.970 3.124 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.611 2.587 10.465 1.00 0.00 H new ATOM 497 N ASP A 36 -3.749 4.834 8.177 1.00 0.00 N ATOM 498 CA ASP A 36 -4.080 5.280 6.794 1.00 0.00 C ATOM 499 C ASP A 36 -3.050 6.314 6.338 1.00 0.00 C ATOM 500 O ASP A 36 -3.279 7.506 6.407 1.00 0.00 O ATOM 501 CB ASP A 36 -5.476 5.907 6.779 1.00 0.00 C ATOM 502 CG ASP A 36 -5.659 6.773 8.026 1.00 0.00 C ATOM 503 OD1 ASP A 36 -5.998 6.224 9.061 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.459 7.973 7.925 1.00 0.00 O ATOM 0 H ASP A 36 -2.997 5.352 8.631 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.062 4.424 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.605 6.511 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.237 5.127 6.750 1.00 0.00 H new ATOM 509 N ILE A 37 -1.917 5.866 5.876 1.00 0.00 N ATOM 510 CA ILE A 37 -0.866 6.818 5.420 1.00 0.00 C ATOM 511 C ILE A 37 -1.460 7.800 4.407 1.00 0.00 C ATOM 512 O ILE A 37 -2.362 7.469 3.663 1.00 0.00 O ATOM 513 CB ILE A 37 0.271 6.036 4.759 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.897 5.085 5.782 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.336 7.010 4.253 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.164 3.730 5.121 1.00 0.00 C ATOM 0 H ILE A 37 -1.672 4.879 5.794 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.484 7.372 6.278 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.124 5.462 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.827 5.505 6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.230 4.961 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.145 6.452 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.892 7.689 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.731 7.585 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.610 3.052 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.225 3.310 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.847 3.863 4.282 1.00 0.00 H new ATOM 528 N SER A 38 -0.954 9.002 4.370 1.00 0.00 N ATOM 529 CA SER A 38 -1.480 10.005 3.403 1.00 0.00 C ATOM 530 C SER A 38 -0.405 10.297 2.354 1.00 0.00 C ATOM 531 O SER A 38 0.712 9.830 2.456 1.00 0.00 O ATOM 532 CB SER A 38 -1.834 11.295 4.145 1.00 0.00 C ATOM 533 OG SER A 38 -1.158 11.317 5.395 1.00 0.00 O ATOM 0 H SER A 38 -0.198 9.333 4.969 1.00 0.00 H new ATOM 0 HA SER A 38 -2.374 9.614 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.548 12.162 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.911 11.356 4.300 1.00 0.00 H new ATOM 0 HG SER A 38 -1.381 12.143 5.873 1.00 0.00 H new ATOM 539 N THR A 39 -0.725 11.062 1.347 1.00 0.00 N ATOM 540 CA THR A 39 0.291 11.369 0.303 1.00 0.00 C ATOM 541 C THR A 39 1.423 12.192 0.921 1.00 0.00 C ATOM 542 O THR A 39 2.541 12.181 0.446 1.00 0.00 O ATOM 543 CB THR A 39 -0.358 12.160 -0.834 1.00 0.00 C ATOM 544 OG1 THR A 39 -1.154 13.205 -0.292 1.00 0.00 O ATOM 545 CG2 THR A 39 -1.234 11.229 -1.673 1.00 0.00 C ATOM 0 H THR A 39 -1.642 11.486 1.203 1.00 0.00 H new ATOM 0 HA THR A 39 0.694 10.437 -0.094 1.00 0.00 H new ATOM 0 HB THR A 39 0.420 12.589 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.568 13.712 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.695 11.795 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.620 10.431 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.012 10.796 -1.044 1.00 0.00 H new ATOM 553 N LYS A 40 1.146 12.902 1.982 1.00 0.00 N ATOM 554 CA LYS A 40 2.210 13.719 2.630 1.00 0.00 C ATOM 555 C LYS A 40 3.412 12.826 2.940 1.00 0.00 C ATOM 556 O LYS A 40 4.513 13.071 2.488 1.00 0.00 O ATOM 557 CB LYS A 40 1.671 14.318 3.931 1.00 0.00 C ATOM 558 CG LYS A 40 2.021 15.807 3.992 1.00 0.00 C ATOM 559 CD LYS A 40 2.638 16.132 5.354 1.00 0.00 C ATOM 560 CE LYS A 40 1.728 15.604 6.464 1.00 0.00 C ATOM 561 NZ LYS A 40 1.730 16.561 7.607 1.00 0.00 N ATOM 0 H LYS A 40 0.229 12.951 2.427 1.00 0.00 H new ATOM 0 HA LYS A 40 2.514 14.523 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.590 14.185 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.099 13.798 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.720 16.060 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.126 16.408 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.627 15.681 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.769 17.209 5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.714 15.474 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.072 14.624 6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.111 16.202 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.698 16.663 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.382 17.487 7.285 1.00 0.00 H new ATOM 575 N GLU A 41 3.208 11.790 3.706 1.00 0.00 N ATOM 576 CA GLU A 41 4.336 10.880 4.044 1.00 0.00 C ATOM 577 C GLU A 41 4.498 9.833 2.939 1.00 0.00 C ATOM 578 O GLU A 41 5.423 9.046 2.947 1.00 0.00 O ATOM 579 CB GLU A 41 4.045 10.178 5.370 1.00 0.00 C ATOM 580 CG GLU A 41 5.199 10.431 6.342 1.00 0.00 C ATOM 581 CD GLU A 41 4.640 10.890 7.689 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.922 11.876 7.706 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.940 10.247 8.682 1.00 0.00 O ATOM 0 H GLU A 41 2.308 11.535 4.112 1.00 0.00 H new ATOM 0 HA GLU A 41 5.255 11.460 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.111 10.548 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.920 9.107 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.786 9.522 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.870 11.189 5.937 1.00 0.00 H new ATOM 590 N LEU A 42 3.604 9.816 1.988 1.00 0.00 N ATOM 591 CA LEU A 42 3.706 8.819 0.885 1.00 0.00 C ATOM 592 C LEU A 42 4.812 9.239 -0.084 1.00 0.00 C ATOM 593 O LEU A 42 5.302 8.445 -0.863 1.00 0.00 O ATOM 594 CB LEU A 42 2.374 8.755 0.136 1.00 0.00 C ATOM 595 CG LEU A 42 2.305 7.463 -0.679 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.853 6.313 0.223 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.301 7.639 -1.822 1.00 0.00 C ATOM 0 H LEU A 42 2.807 10.450 1.927 1.00 0.00 H new ATOM 0 HA LEU A 42 3.941 7.839 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.545 8.795 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.274 9.618 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 42 3.290 7.237 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.804 5.392 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.565 6.189 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.868 6.537 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.249 6.720 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.317 7.864 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.621 8.459 -2.465 1.00 0.00 H new ATOM 609 N GLY A 43 5.207 10.483 -0.050 1.00 0.00 N ATOM 610 CA GLY A 43 6.275 10.952 -0.977 1.00 0.00 C ATOM 611 C GLY A 43 7.584 11.155 -0.210 1.00 0.00 C ATOM 612 O GLY A 43 8.617 10.638 -0.583 1.00 0.00 O ATOM 0 H GLY A 43 4.836 11.194 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.421 10.224 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.973 11.886 -1.450 1.00 0.00 H new ATOM 616 N THR A 44 7.552 11.909 0.854 1.00 0.00 N ATOM 617 CA THR A 44 8.800 12.147 1.636 1.00 0.00 C ATOM 618 C THR A 44 9.385 10.808 2.088 1.00 0.00 C ATOM 619 O THR A 44 10.577 10.584 2.009 1.00 0.00 O ATOM 620 CB THR A 44 8.486 13.008 2.861 1.00 0.00 C ATOM 621 OG1 THR A 44 9.698 13.377 3.502 1.00 0.00 O ATOM 622 CG2 THR A 44 7.614 12.214 3.832 1.00 0.00 C ATOM 0 H THR A 44 6.718 12.370 1.216 1.00 0.00 H new ATOM 0 HA THR A 44 9.524 12.666 1.008 1.00 0.00 H new ATOM 0 HB THR A 44 7.953 13.906 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.498 13.930 4.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.390 12.827 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.684 11.932 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.145 11.315 4.146 1.00 0.00 H new ATOM 630 N VAL A 45 8.559 9.912 2.557 1.00 0.00 N ATOM 631 CA VAL A 45 9.076 8.590 3.007 1.00 0.00 C ATOM 632 C VAL A 45 9.703 7.870 1.814 1.00 0.00 C ATOM 633 O VAL A 45 10.802 7.358 1.891 1.00 0.00 O ATOM 634 CB VAL A 45 7.925 7.751 3.564 1.00 0.00 C ATOM 635 CG1 VAL A 45 8.388 6.304 3.750 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.488 8.322 4.913 1.00 0.00 C ATOM 0 H VAL A 45 7.551 10.039 2.647 1.00 0.00 H new ATOM 0 HA VAL A 45 9.824 8.733 3.787 1.00 0.00 H new ATOM 0 HB VAL A 45 7.087 7.776 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.567 5.707 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.702 5.896 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.226 6.277 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.668 7.726 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.327 8.296 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.157 9.352 4.782 1.00 0.00 H new ATOM 646 N MET A 46 9.014 7.835 0.707 1.00 0.00 N ATOM 647 CA MET A 46 9.573 7.159 -0.496 1.00 0.00 C ATOM 648 C MET A 46 10.661 8.044 -1.109 1.00 0.00 C ATOM 649 O MET A 46 11.358 7.647 -2.023 1.00 0.00 O ATOM 650 CB MET A 46 8.457 6.934 -1.519 1.00 0.00 C ATOM 651 CG MET A 46 8.103 5.447 -1.568 1.00 0.00 C ATOM 652 SD MET A 46 6.320 5.261 -1.828 1.00 0.00 S ATOM 653 CE MET A 46 5.805 5.601 -0.127 1.00 0.00 C ATOM 0 H MET A 46 8.088 8.245 0.584 1.00 0.00 H new ATOM 0 HA MET A 46 10.001 6.197 -0.213 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.578 7.519 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.777 7.275 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.652 4.958 -2.373 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.399 4.961 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.728 5.767 -0.099 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.058 4.751 0.506 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.319 6.490 0.238 1.00 0.00 H new ATOM 663 N ARG A 47 10.817 9.241 -0.608 1.00 0.00 N ATOM 664 CA ARG A 47 11.862 10.150 -1.155 1.00 0.00 C ATOM 665 C ARG A 47 13.196 9.849 -0.470 1.00 0.00 C ATOM 666 O ARG A 47 14.243 9.897 -1.083 1.00 0.00 O ATOM 667 CB ARG A 47 11.465 11.603 -0.890 1.00 0.00 C ATOM 668 CG ARG A 47 11.456 12.382 -2.209 1.00 0.00 C ATOM 669 CD ARG A 47 11.826 13.843 -1.942 1.00 0.00 C ATOM 670 NE ARG A 47 10.646 14.713 -2.208 1.00 0.00 N ATOM 671 CZ ARG A 47 10.220 15.534 -1.286 1.00 0.00 C ATOM 672 NH1 ARG A 47 11.038 16.404 -0.760 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.976 15.486 -0.892 1.00 0.00 N ATOM 0 H ARG A 47 10.264 9.627 0.157 1.00 0.00 H new ATOM 0 HA ARG A 47 11.959 9.995 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.479 11.642 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.165 12.060 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.163 11.939 -2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.471 12.324 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.154 13.963 -0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.660 14.140 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 47 10.171 14.667 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.009 16.442 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.706 17.046 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.336 14.807 -1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.644 16.128 -0.172 1.00 0.00 H new ATOM 687 N MET A 48 13.165 9.536 0.799 1.00 0.00 N ATOM 688 CA MET A 48 14.433 9.225 1.521 1.00 0.00 C ATOM 689 C MET A 48 15.292 8.317 0.642 1.00 0.00 C ATOM 690 O MET A 48 16.302 8.728 0.106 1.00 0.00 O ATOM 691 CB MET A 48 14.112 8.509 2.835 1.00 0.00 C ATOM 692 CG MET A 48 13.937 9.540 3.951 1.00 0.00 C ATOM 693 SD MET A 48 13.123 8.760 5.367 1.00 0.00 S ATOM 694 CE MET A 48 13.359 10.117 6.540 1.00 0.00 C ATOM 0 H MET A 48 12.318 9.482 1.365 1.00 0.00 H new ATOM 0 HA MET A 48 14.971 10.148 1.738 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.203 7.918 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.914 7.816 3.089 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.907 9.938 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.343 10.381 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.924 9.846 7.502 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.425 10.309 6.665 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.871 11.015 6.161 1.00 0.00 H new ATOM 704 N LEU A 49 14.889 7.087 0.476 1.00 0.00 N ATOM 705 CA LEU A 49 15.672 6.157 -0.381 1.00 0.00 C ATOM 706 C LEU A 49 15.427 6.508 -1.850 1.00 0.00 C ATOM 707 O LEU A 49 16.097 6.019 -2.737 1.00 0.00 O ATOM 708 CB LEU A 49 15.220 4.719 -0.117 1.00 0.00 C ATOM 709 CG LEU A 49 13.749 4.568 -0.510 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.630 3.585 -1.675 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.953 4.038 0.686 1.00 0.00 C ATOM 0 H LEU A 49 14.051 6.687 0.898 1.00 0.00 H new ATOM 0 HA LEU A 49 16.734 6.249 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.834 4.023 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.354 4.472 0.936 1.00 0.00 H new ATOM 0 HG LEU A 49 13.353 5.538 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.582 3.478 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.196 3.960 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.027 2.615 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.905 3.930 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.350 3.068 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.037 4.738 1.518 1.00 0.00 H new ATOM 723 N GLY A 50 14.467 7.356 -2.113 1.00 0.00 N ATOM 724 CA GLY A 50 14.172 7.742 -3.520 1.00 0.00 C ATOM 725 C GLY A 50 14.603 9.190 -3.755 1.00 0.00 C ATOM 726 O GLY A 50 15.474 9.708 -3.085 1.00 0.00 O ATOM 0 H GLY A 50 13.874 7.798 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.698 7.079 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.107 7.631 -3.722 1.00 0.00 H new ATOM 730 N GLN A 51 14.008 9.843 -4.714 1.00 0.00 N ATOM 731 CA GLN A 51 14.392 11.254 -5.008 1.00 0.00 C ATOM 732 C GLN A 51 13.274 11.941 -5.797 1.00 0.00 C ATOM 733 O GLN A 51 12.968 13.098 -5.589 1.00 0.00 O ATOM 734 CB GLN A 51 15.656 11.234 -5.859 1.00 0.00 C ATOM 735 CG GLN A 51 15.525 10.112 -6.889 1.00 0.00 C ATOM 736 CD GLN A 51 16.811 10.012 -7.711 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.375 8.946 -7.851 1.00 0.00 O ATOM 738 NE2 GLN A 51 17.303 11.087 -8.264 1.00 0.00 N ATOM 0 H GLN A 51 13.272 9.461 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 51 14.560 11.796 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 51 15.793 12.193 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.533 11.073 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.329 9.165 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.677 10.306 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.830 11.983 -8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.161 11.031 -8.813 1.00 0.00 H new ATOM 747 N ASN A 52 12.677 11.233 -6.715 1.00 0.00 N ATOM 748 CA ASN A 52 11.590 11.823 -7.546 1.00 0.00 C ATOM 749 C ASN A 52 10.179 11.612 -6.952 1.00 0.00 C ATOM 750 O ASN A 52 9.265 12.305 -7.353 1.00 0.00 O ATOM 751 CB ASN A 52 11.639 11.202 -8.944 1.00 0.00 C ATOM 752 CG ASN A 52 12.235 12.206 -9.932 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.055 13.025 -9.565 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.854 12.179 -11.181 1.00 0.00 N ATOM 0 H ASN A 52 12.898 10.260 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 52 11.764 12.899 -7.579 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.239 10.292 -8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.636 10.916 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.244 12.845 -11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.166 11.492 -11.490 1.00 0.00 H new ATOM 761 N PRO A 53 10.000 10.672 -6.047 1.00 0.00 N ATOM 762 CA PRO A 53 8.670 10.416 -5.476 1.00 0.00 C ATOM 763 C PRO A 53 8.298 11.496 -4.455 1.00 0.00 C ATOM 764 O PRO A 53 8.652 11.424 -3.295 1.00 0.00 O ATOM 765 CB PRO A 53 8.819 9.048 -4.817 1.00 0.00 C ATOM 766 CG PRO A 53 10.322 8.849 -4.549 1.00 0.00 C ATOM 767 CD PRO A 53 11.059 9.799 -5.502 1.00 0.00 C ATOM 0 HA PRO A 53 7.874 10.434 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.251 9.002 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.434 8.261 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.565 9.074 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.615 7.814 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.819 10.378 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.568 9.250 -6.295 1.00 0.00 H new ATOM 775 N THR A 54 7.578 12.492 -4.891 1.00 0.00 N ATOM 776 CA THR A 54 7.160 13.590 -3.971 1.00 0.00 C ATOM 777 C THR A 54 5.772 13.302 -3.462 1.00 0.00 C ATOM 778 O THR A 54 5.337 12.171 -3.397 1.00 0.00 O ATOM 779 CB THR A 54 7.135 14.926 -4.722 1.00 0.00 C ATOM 780 OG1 THR A 54 5.818 15.196 -5.185 1.00 0.00 O ATOM 781 CG2 THR A 54 8.061 14.848 -5.912 1.00 0.00 C ATOM 0 H THR A 54 7.258 12.594 -5.854 1.00 0.00 H new ATOM 0 HA THR A 54 7.868 13.650 -3.144 1.00 0.00 H new ATOM 0 HB THR A 54 7.456 15.719 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.559 16.105 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.045 15.797 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.075 14.641 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.732 14.050 -6.577 1.00 0.00 H new ATOM 789 N LYS A 55 5.069 14.320 -3.099 1.00 0.00 N ATOM 790 CA LYS A 55 3.715 14.104 -2.596 1.00 0.00 C ATOM 791 C LYS A 55 2.728 14.094 -3.756 1.00 0.00 C ATOM 792 O LYS A 55 1.836 13.272 -3.819 1.00 0.00 O ATOM 793 CB LYS A 55 3.375 15.213 -1.606 1.00 0.00 C ATOM 794 CG LYS A 55 2.806 16.437 -2.335 1.00 0.00 C ATOM 795 CD LYS A 55 2.580 17.569 -1.330 1.00 0.00 C ATOM 796 CE LYS A 55 1.135 17.529 -0.829 1.00 0.00 C ATOM 797 NZ LYS A 55 0.792 18.832 -0.193 1.00 0.00 N ATOM 0 H LYS A 55 5.378 15.291 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 55 3.653 13.141 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.650 14.848 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.269 15.498 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.494 16.761 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.867 16.178 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.269 17.468 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.787 18.531 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.457 17.328 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.010 16.718 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.190 18.804 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.431 19.006 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.895 19.597 -0.890 1.00 0.00 H new ATOM 811 N GLU A 56 2.876 15.003 -4.672 1.00 0.00 N ATOM 812 CA GLU A 56 1.939 15.036 -5.816 1.00 0.00 C ATOM 813 C GLU A 56 2.305 13.918 -6.792 1.00 0.00 C ATOM 814 O GLU A 56 1.460 13.373 -7.475 1.00 0.00 O ATOM 815 CB GLU A 56 2.031 16.391 -6.522 1.00 0.00 C ATOM 816 CG GLU A 56 3.470 16.633 -6.982 1.00 0.00 C ATOM 817 CD GLU A 56 3.909 18.038 -6.565 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.063 18.793 -6.116 1.00 0.00 O ATOM 819 OE2 GLU A 56 5.085 18.335 -6.703 1.00 0.00 O ATOM 0 H GLU A 56 3.602 15.720 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 56 0.919 14.892 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.356 16.413 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.716 17.186 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.134 15.888 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.540 16.525 -8.064 1.00 0.00 H new ATOM 826 N GLU A 57 3.560 13.566 -6.855 1.00 0.00 N ATOM 827 CA GLU A 57 3.986 12.478 -7.778 1.00 0.00 C ATOM 828 C GLU A 57 3.517 11.137 -7.212 1.00 0.00 C ATOM 829 O GLU A 57 3.393 10.158 -7.922 1.00 0.00 O ATOM 830 CB GLU A 57 5.511 12.477 -7.897 1.00 0.00 C ATOM 831 CG GLU A 57 5.908 12.561 -9.372 1.00 0.00 C ATOM 832 CD GLU A 57 6.480 11.216 -9.824 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.415 10.750 -9.193 1.00 0.00 O ATOM 834 OE2 GLU A 57 5.974 10.673 -10.792 1.00 0.00 O ATOM 0 H GLU A 57 4.310 13.986 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 57 3.549 12.637 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.930 13.321 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.921 11.571 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.041 12.822 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.647 13.349 -9.516 1.00 0.00 H new ATOM 841 N LEU A 58 3.255 11.089 -5.934 1.00 0.00 N ATOM 842 CA LEU A 58 2.789 9.820 -5.311 1.00 0.00 C ATOM 843 C LEU A 58 1.275 9.703 -5.483 1.00 0.00 C ATOM 844 O LEU A 58 0.686 8.674 -5.213 1.00 0.00 O ATOM 845 CB LEU A 58 3.138 9.831 -3.820 1.00 0.00 C ATOM 846 CG LEU A 58 4.539 9.247 -3.604 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.478 7.724 -3.710 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.500 9.791 -4.666 1.00 0.00 C ATOM 0 H LEU A 58 3.344 11.878 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 58 3.276 8.971 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.097 10.850 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.403 9.251 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 58 4.897 9.533 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.474 7.308 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.801 7.333 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.116 7.442 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.494 9.372 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.143 9.511 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.548 10.877 -4.591 1.00 0.00 H new ATOM 860 N ASP A 59 0.638 10.752 -5.934 1.00 0.00 N ATOM 861 CA ASP A 59 -0.838 10.704 -6.126 1.00 0.00 C ATOM 862 C ASP A 59 -1.175 9.707 -7.236 1.00 0.00 C ATOM 863 O ASP A 59 -2.202 9.057 -7.209 1.00 0.00 O ATOM 864 CB ASP A 59 -1.347 12.094 -6.517 1.00 0.00 C ATOM 865 CG ASP A 59 -2.853 12.177 -6.257 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.600 11.627 -7.048 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.231 12.788 -5.271 1.00 0.00 O ATOM 0 H ASP A 59 1.078 11.639 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.315 10.390 -5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.825 12.859 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.137 12.287 -7.569 1.00 0.00 H new ATOM 872 N ALA A 60 -0.319 9.579 -8.212 1.00 0.00 N ATOM 873 CA ALA A 60 -0.591 8.624 -9.322 1.00 0.00 C ATOM 874 C ALA A 60 -0.681 7.205 -8.761 1.00 0.00 C ATOM 875 O ALA A 60 -1.677 6.528 -8.920 1.00 0.00 O ATOM 876 CB ALA A 60 0.540 8.698 -10.349 1.00 0.00 C ATOM 0 H ALA A 60 0.558 10.095 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.534 8.885 -9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.340 7.999 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.603 9.710 -10.749 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.484 8.438 -9.870 1.00 0.00 H new ATOM 882 N ILE A 61 0.348 6.749 -8.100 1.00 0.00 N ATOM 883 CA ILE A 61 0.305 5.375 -7.528 1.00 0.00 C ATOM 884 C ILE A 61 -0.810 5.303 -6.490 1.00 0.00 C ATOM 885 O ILE A 61 -1.348 4.251 -6.214 1.00 0.00 O ATOM 886 CB ILE A 61 1.638 5.047 -6.857 1.00 0.00 C ATOM 887 CG1 ILE A 61 2.779 5.697 -7.635 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.839 3.534 -6.832 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.204 6.974 -6.917 1.00 0.00 C ATOM 0 H ILE A 61 1.211 7.266 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 61 0.120 4.657 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 61 1.631 5.431 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.622 5.010 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.460 5.925 -8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.790 3.301 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.028 3.068 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.843 3.151 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.019 7.446 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.358 7.660 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.539 6.730 -5.909 1.00 0.00 H new ATOM 901 N ILE A 62 -1.164 6.415 -5.909 1.00 0.00 N ATOM 902 CA ILE A 62 -2.245 6.399 -4.892 1.00 0.00 C ATOM 903 C ILE A 62 -3.519 5.839 -5.535 1.00 0.00 C ATOM 904 O ILE A 62 -3.984 4.775 -5.185 1.00 0.00 O ATOM 905 CB ILE A 62 -2.482 7.828 -4.373 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.549 8.088 -3.187 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.937 8.005 -3.917 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.070 7.353 -1.949 1.00 0.00 C ATOM 0 H ILE A 62 -0.752 7.329 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.963 5.768 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.280 8.534 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.540 7.750 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.488 9.158 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.083 9.022 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.607 7.820 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.156 7.299 -3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.403 7.540 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.070 7.712 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.108 6.282 -2.150 1.00 0.00 H new ATOM 920 N GLU A 63 -4.082 6.545 -6.476 1.00 0.00 N ATOM 921 CA GLU A 63 -5.321 6.049 -7.140 1.00 0.00 C ATOM 922 C GLU A 63 -5.171 4.558 -7.454 1.00 0.00 C ATOM 923 O GLU A 63 -6.141 3.833 -7.546 1.00 0.00 O ATOM 924 CB GLU A 63 -5.544 6.822 -8.441 1.00 0.00 C ATOM 925 CG GLU A 63 -7.032 6.815 -8.792 1.00 0.00 C ATOM 926 CD GLU A 63 -7.380 8.095 -9.553 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.150 8.131 -10.750 1.00 0.00 O ATOM 928 OE2 GLU A 63 -7.872 9.018 -8.925 1.00 0.00 O ATOM 0 H GLU A 63 -3.738 7.444 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.173 6.197 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.190 7.847 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.967 6.370 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.270 5.942 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.631 6.744 -7.884 1.00 0.00 H new ATOM 935 N GLU A 64 -3.962 4.097 -7.623 1.00 0.00 N ATOM 936 CA GLU A 64 -3.750 2.654 -7.937 1.00 0.00 C ATOM 937 C GLU A 64 -4.476 1.783 -6.909 1.00 0.00 C ATOM 938 O GLU A 64 -5.265 0.926 -7.257 1.00 0.00 O ATOM 939 CB GLU A 64 -2.254 2.335 -7.899 1.00 0.00 C ATOM 940 CG GLU A 64 -2.012 0.943 -8.485 1.00 0.00 C ATOM 941 CD GLU A 64 -1.780 1.054 -9.993 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.964 2.138 -10.522 1.00 0.00 O ATOM 943 OE2 GLU A 64 -1.422 0.054 -10.593 1.00 0.00 O ATOM 0 H GLU A 64 -3.112 4.656 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.146 2.446 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.698 3.081 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.889 2.377 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.148 0.481 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.869 0.299 -8.285 1.00 0.00 H new ATOM 950 N VAL A 65 -4.210 1.982 -5.646 1.00 0.00 N ATOM 951 CA VAL A 65 -4.881 1.147 -4.608 1.00 0.00 C ATOM 952 C VAL A 65 -5.822 2.012 -3.763 1.00 0.00 C ATOM 953 O VAL A 65 -6.922 1.606 -3.446 1.00 0.00 O ATOM 954 CB VAL A 65 -3.822 0.510 -3.706 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.873 -0.333 -4.559 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.026 1.607 -2.996 1.00 0.00 C ATOM 0 H VAL A 65 -3.561 2.683 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.463 0.367 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.309 -0.122 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.117 -0.789 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.438 -1.115 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.387 0.303 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.272 1.152 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.537 2.240 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.701 2.212 -2.391 1.00 0.00 H new ATOM 966 N ASP A 66 -5.394 3.192 -3.392 1.00 0.00 N ATOM 967 CA ASP A 66 -6.259 4.086 -2.562 1.00 0.00 C ATOM 968 C ASP A 66 -7.721 3.955 -2.999 1.00 0.00 C ATOM 969 O ASP A 66 -8.450 3.115 -2.511 1.00 0.00 O ATOM 970 CB ASP A 66 -5.801 5.535 -2.736 1.00 0.00 C ATOM 971 CG ASP A 66 -6.841 6.475 -2.125 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.422 6.110 -1.116 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.039 7.546 -2.675 1.00 0.00 O ATOM 0 H ASP A 66 -4.479 3.577 -3.629 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.175 3.796 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.834 5.682 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.668 5.761 -3.794 1.00 0.00 H new ATOM 978 N GLU A 67 -8.160 4.779 -3.913 1.00 0.00 N ATOM 979 CA GLU A 67 -9.576 4.691 -4.371 1.00 0.00 C ATOM 980 C GLU A 67 -9.799 5.634 -5.556 1.00 0.00 C ATOM 981 O GLU A 67 -9.845 5.213 -6.694 1.00 0.00 O ATOM 982 CB GLU A 67 -10.510 5.084 -3.223 1.00 0.00 C ATOM 983 CG GLU A 67 -11.596 4.019 -3.063 1.00 0.00 C ATOM 984 CD GLU A 67 -12.945 4.597 -3.497 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.070 4.950 -4.658 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.828 4.679 -2.660 1.00 0.00 O ATOM 0 H GLU A 67 -7.602 5.506 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.789 3.668 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.944 5.183 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.964 6.054 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.353 3.143 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.647 3.689 -2.025 1.00 0.00 H new ATOM 993 N ASP A 68 -9.941 6.906 -5.299 1.00 0.00 N ATOM 994 CA ASP A 68 -10.164 7.869 -6.413 1.00 0.00 C ATOM 995 C ASP A 68 -9.071 8.940 -6.394 1.00 0.00 C ATOM 996 O ASP A 68 -9.124 9.910 -7.124 1.00 0.00 O ATOM 997 CB ASP A 68 -11.534 8.532 -6.245 1.00 0.00 C ATOM 998 CG ASP A 68 -11.479 9.538 -5.094 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.979 10.630 -5.311 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -11.936 9.199 -4.015 1.00 0.00 O ATOM 0 H ASP A 68 -9.912 7.319 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.130 7.338 -7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.821 9.035 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.293 7.776 -6.045 1.00 0.00 H new ATOM 1005 N GLY A 69 -8.078 8.774 -5.562 1.00 0.00 N ATOM 1006 CA GLY A 69 -6.985 9.784 -5.498 1.00 0.00 C ATOM 1007 C GLY A 69 -7.124 10.604 -4.215 1.00 0.00 C ATOM 1008 O GLY A 69 -6.479 11.619 -4.043 1.00 0.00 O ATOM 0 H GLY A 69 -7.977 7.984 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.015 9.288 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.029 10.439 -6.368 1.00 0.00 H new ATOM 1012 N SER A 70 -7.961 10.172 -3.311 1.00 0.00 N ATOM 1013 CA SER A 70 -8.139 10.929 -2.041 1.00 0.00 C ATOM 1014 C SER A 70 -6.770 11.313 -1.479 1.00 0.00 C ATOM 1015 O SER A 70 -6.601 12.360 -0.887 1.00 0.00 O ATOM 1016 CB SER A 70 -8.881 10.058 -1.025 1.00 0.00 C ATOM 1017 OG SER A 70 -10.220 10.519 -0.904 1.00 0.00 O ATOM 0 H SER A 70 -8.528 9.329 -3.398 1.00 0.00 H new ATOM 0 HA SER A 70 -8.718 11.832 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.870 9.016 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.380 10.100 -0.058 1.00 0.00 H new ATOM 0 HG SER A 70 -10.700 9.963 -0.255 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.789 10.472 -1.662 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.431 10.790 -1.140 1.00 0.00 C ATOM 1025 C GLY A 71 -4.185 10.010 0.152 1.00 0.00 C ATOM 1026 O GLY A 71 -3.462 10.446 1.025 1.00 0.00 O ATOM 0 H GLY A 71 -5.870 9.580 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.675 10.533 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.343 11.860 -0.953 1.00 0.00 H new ATOM 1030 N THR A 72 -4.782 8.857 0.282 1.00 0.00 N ATOM 1031 CA THR A 72 -4.580 8.051 1.520 1.00 0.00 C ATOM 1032 C THR A 72 -4.794 6.568 1.207 1.00 0.00 C ATOM 1033 O THR A 72 -5.608 6.211 0.379 1.00 0.00 O ATOM 1034 CB THR A 72 -5.577 8.496 2.596 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.922 7.382 3.408 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.838 9.059 1.937 1.00 0.00 C ATOM 0 H THR A 72 -5.400 8.439 -0.414 1.00 0.00 H new ATOM 0 HA THR A 72 -3.564 8.202 1.885 1.00 0.00 H new ATOM 0 HB THR A 72 -5.120 9.271 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.558 7.665 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.542 9.373 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.573 9.915 1.317 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.299 8.290 1.317 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.067 5.702 1.861 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.227 4.243 1.597 1.00 0.00 C ATOM 1046 C ILE A 73 -4.275 3.483 2.925 1.00 0.00 C ATOM 1047 O ILE A 73 -3.553 3.786 3.854 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.041 3.743 0.765 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -3.199 4.214 -0.682 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.994 2.213 0.793 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.860 4.084 -1.410 1.00 0.00 C ATOM 0 H ILE A 73 -3.370 5.942 2.566 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.154 4.073 1.050 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.117 4.142 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.959 3.619 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.538 5.250 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.149 1.864 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.881 1.871 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.919 1.813 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.972 4.419 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.112 4.698 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.540 3.042 -1.400 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.117 2.490 3.015 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.208 1.700 4.274 1.00 0.00 C ATOM 1065 C ASP A 74 -4.417 0.402 4.108 1.00 0.00 C ATOM 1066 O ASP A 74 -3.667 0.241 3.166 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.674 1.369 4.567 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.475 2.664 4.704 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.872 3.683 4.997 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.680 2.616 4.513 1.00 0.00 O ATOM 0 H ASP A 74 -5.746 2.192 2.270 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.797 2.279 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.087 0.758 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.749 0.784 5.484 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.575 -0.526 5.010 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.827 -1.809 4.888 1.00 0.00 C ATOM 1077 C PHE A 75 -4.574 -2.737 3.919 1.00 0.00 C ATOM 1078 O PHE A 75 -4.032 -3.706 3.430 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.695 -2.463 6.277 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.846 -3.414 6.535 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.164 -2.984 6.348 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -4.589 -4.726 6.952 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -7.226 -3.865 6.580 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -5.652 -5.608 7.184 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.971 -5.176 6.997 1.00 0.00 C ATOM 0 H PHE A 75 -5.187 -0.453 5.823 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.826 -1.623 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.750 -3.002 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.675 -1.692 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.362 -1.973 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.571 -5.058 7.095 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.244 -3.533 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.455 -6.620 7.507 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.792 -5.855 7.175 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.816 -2.444 3.646 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.600 -3.307 2.719 1.00 0.00 C ATOM 1097 C GLU A 76 -6.121 -3.093 1.280 1.00 0.00 C ATOM 1098 O GLU A 76 -5.910 -4.033 0.541 1.00 0.00 O ATOM 1099 CB GLU A 76 -8.082 -2.943 2.820 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.895 -4.193 3.164 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.173 -3.783 3.899 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.909 -2.974 3.360 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.393 -4.285 4.989 1.00 0.00 O ATOM 0 H GLU A 76 -6.322 -1.644 4.025 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.458 -4.352 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.228 -2.180 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.428 -2.520 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.145 -4.739 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.304 -4.865 3.787 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.953 -1.864 0.877 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.492 -1.596 -0.516 1.00 0.00 C ATOM 1112 C GLU A 77 -3.980 -1.811 -0.609 1.00 0.00 C ATOM 1113 O GLU A 77 -3.465 -2.233 -1.625 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.821 -0.149 -0.894 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.166 0.247 -0.284 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.207 -0.829 -0.599 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.066 -1.481 -1.620 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.127 -0.983 0.188 1.00 0.00 O ATOM 0 H GLU A 77 -6.114 -1.035 1.449 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.999 -2.278 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.037 0.518 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.857 -0.045 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.067 0.367 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.489 1.208 -0.683 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.262 -1.520 0.442 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.782 -1.705 0.407 1.00 0.00 C ATOM 1127 C PHE A 78 -1.447 -3.198 0.351 1.00 0.00 C ATOM 1128 O PHE A 78 -0.319 -3.583 0.117 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.164 -1.085 1.665 1.00 0.00 C ATOM 1130 CG PHE A 78 0.350 -1.084 1.565 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.986 -1.394 0.353 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.119 -0.767 2.693 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.382 -1.389 0.273 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.517 -0.762 2.610 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.149 -1.072 1.400 1.00 0.00 C ATOM 0 H PHE A 78 -3.635 -1.163 1.322 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.376 -1.215 -0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.527 -0.065 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.476 -1.646 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.397 -1.637 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.633 -0.526 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.869 -1.630 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.108 -0.519 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.227 -1.067 1.336 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.415 -4.045 0.566 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.142 -5.510 0.527 1.00 0.00 C ATOM 1147 C LEU A 79 -2.145 -5.995 -0.925 1.00 0.00 C ATOM 1148 O LEU A 79 -1.553 -7.004 -1.253 1.00 0.00 O ATOM 1149 CB LEU A 79 -3.226 -6.254 1.310 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.828 -6.340 2.785 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.880 -7.144 3.549 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.470 -7.034 2.908 1.00 0.00 C ATOM 0 H LEU A 79 -3.381 -3.788 0.767 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.168 -5.706 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.180 -5.737 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.362 -7.255 0.901 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.762 -5.335 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.598 -7.206 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.848 -6.651 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.945 -8.148 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.187 -7.095 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.536 -8.039 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.719 -6.463 2.362 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.810 -5.289 -1.797 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.854 -5.717 -3.224 1.00 0.00 C ATOM 1166 C VAL A 80 -1.645 -5.150 -3.973 1.00 0.00 C ATOM 1167 O VAL A 80 -1.252 -5.657 -5.005 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.143 -5.202 -3.868 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.169 -3.674 -3.809 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.200 -5.658 -5.328 1.00 0.00 C ATOM 0 H VAL A 80 -3.325 -4.435 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.829 -6.805 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.003 -5.600 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.087 -3.308 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.128 -3.349 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.310 -3.274 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.118 -5.292 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.340 -5.260 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.183 -6.747 -5.370 1.00 0.00 H new ATOM 1180 N MET A 81 -1.052 -4.105 -3.466 1.00 0.00 N ATOM 1181 CA MET A 81 0.130 -3.516 -4.156 1.00 0.00 C ATOM 1182 C MET A 81 1.400 -4.236 -3.695 1.00 0.00 C ATOM 1183 O MET A 81 2.368 -4.333 -4.422 1.00 0.00 O ATOM 1184 CB MET A 81 0.234 -2.029 -3.813 1.00 0.00 C ATOM 1185 CG MET A 81 1.393 -1.404 -4.592 1.00 0.00 C ATOM 1186 SD MET A 81 1.357 0.395 -4.392 1.00 0.00 S ATOM 1187 CE MET A 81 1.701 0.432 -2.616 1.00 0.00 C ATOM 0 H MET A 81 -1.334 -3.634 -2.606 1.00 0.00 H new ATOM 0 HA MET A 81 0.016 -3.632 -5.234 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.699 -1.522 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.392 -1.902 -2.742 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.342 -1.801 -4.233 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.318 -1.664 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.056 1.424 -2.335 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.790 0.202 -2.064 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.465 -0.308 -2.378 1.00 0.00 H new ATOM 1197 N MET A 82 1.402 -4.742 -2.492 1.00 0.00 N ATOM 1198 CA MET A 82 2.611 -5.454 -1.988 1.00 0.00 C ATOM 1199 C MET A 82 2.656 -6.864 -2.580 1.00 0.00 C ATOM 1200 O MET A 82 3.714 -7.400 -2.849 1.00 0.00 O ATOM 1201 CB MET A 82 2.553 -5.540 -0.460 1.00 0.00 C ATOM 1202 CG MET A 82 3.959 -5.358 0.115 1.00 0.00 C ATOM 1203 SD MET A 82 4.978 -6.788 -0.322 1.00 0.00 S ATOM 1204 CE MET A 82 4.596 -7.791 1.135 1.00 0.00 C ATOM 0 H MET A 82 0.621 -4.694 -1.838 1.00 0.00 H new ATOM 0 HA MET A 82 3.506 -4.908 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.886 -4.773 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.146 -6.504 -0.155 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.408 -4.445 -0.276 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.909 -5.251 1.199 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.130 -8.739 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.905 -7.258 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.523 -7.980 1.175 1.00 0.00 H new ATOM 1214 N VAL A 83 1.520 -7.471 -2.790 1.00 0.00 N ATOM 1215 CA VAL A 83 1.508 -8.846 -3.369 1.00 0.00 C ATOM 1216 C VAL A 83 1.939 -8.778 -4.836 1.00 0.00 C ATOM 1217 O VAL A 83 2.437 -9.738 -5.392 1.00 0.00 O ATOM 1218 CB VAL A 83 0.097 -9.431 -3.280 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.053 -10.770 -4.018 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.274 -9.646 -1.812 1.00 0.00 C ATOM 0 H VAL A 83 0.602 -7.076 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 83 2.196 -9.481 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.612 -8.741 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.952 -11.187 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.318 -10.618 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.762 -11.461 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.279 -10.063 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.435 -10.336 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.242 -8.692 -1.285 1.00 0.00 H new ATOM 1230 N ARG A 84 1.753 -7.651 -5.467 1.00 0.00 N ATOM 1231 CA ARG A 84 2.151 -7.520 -6.897 1.00 0.00 C ATOM 1232 C ARG A 84 3.641 -7.181 -6.979 1.00 0.00 C ATOM 1233 O ARG A 84 4.431 -7.935 -7.512 1.00 0.00 O ATOM 1234 CB ARG A 84 1.338 -6.402 -7.551 1.00 0.00 C ATOM 1235 CG ARG A 84 0.171 -7.009 -8.333 1.00 0.00 C ATOM 1236 CD ARG A 84 -0.760 -5.893 -8.811 1.00 0.00 C ATOM 1237 NE ARG A 84 -2.026 -6.488 -9.323 1.00 0.00 N ATOM 1238 CZ ARG A 84 -2.721 -5.861 -10.231 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -2.886 -4.569 -10.148 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -3.251 -6.524 -11.222 1.00 0.00 N ATOM 0 H ARG A 84 1.342 -6.814 -5.053 1.00 0.00 H new ATOM 0 HA ARG A 84 1.961 -8.459 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.963 -5.718 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.973 -5.819 -8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.546 -7.574 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.377 -7.709 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.973 -5.207 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.276 -5.312 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.349 -7.386 -8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.472 -4.051 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.429 -4.078 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.122 -7.534 -11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.794 -6.033 -11.932 1.00 0.00 H new ATOM 1254 N GLN A 85 4.029 -6.053 -6.453 1.00 0.00 N ATOM 1255 CA GLN A 85 5.467 -5.665 -6.497 1.00 0.00 C ATOM 1256 C GLN A 85 6.172 -6.197 -5.249 1.00 0.00 C ATOM 1257 O GLN A 85 6.279 -5.518 -4.247 1.00 0.00 O ATOM 1258 CB GLN A 85 5.580 -4.139 -6.536 1.00 0.00 C ATOM 1259 CG GLN A 85 7.021 -3.742 -6.861 1.00 0.00 C ATOM 1260 CD GLN A 85 7.022 -2.687 -7.969 1.00 0.00 C ATOM 1261 OE1 GLN A 85 6.359 -2.846 -8.974 1.00 0.00 O ATOM 1262 NE2 GLN A 85 7.744 -1.608 -7.827 1.00 0.00 N ATOM 0 H GLN A 85 3.412 -5.382 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 85 5.934 -6.087 -7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.902 -3.733 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.283 -3.717 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.511 -3.349 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.588 -4.617 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.301 -1.474 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.751 -0.899 -8.560 1.00 0.00 H new