USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 730 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 1 MET CE :methyl -171:sc= 0 (180deg=-0.129) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.186 (180deg=0.0958) USER MOD Single : A 14 ASN : amide:sc= 0.112 X(o=0.11,f=-0.056) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.414) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0.751 (180deg=0.751) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -52:sc= 0.0232 USER MOD Single : A 46 SER OG : rot 7:sc= 1.26 USER MOD Single : A 47 MET CE :methyl -167:sc= -0.274 (180deg=-0.495) USER MOD Single : A 53 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00292) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -139:sc= 0.805 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 71 ASN : amide:sc= 0.62 K(o=0.62,f=-0.45) USER MOD Single : A 76 MET CE :methyl -177:sc= -1.16 (180deg=-1.21) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 180:sc= -0.12 (180deg=-0.12) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.06) USER MOD Single : A 89 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 90 HIS : no HD1:sc=-0.00571 X(o=-0.0057,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.0619 K(o=-0.062,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.913 14.261 5.678 1.00 1.00 N ATOM 2 CA MET A 1 -7.100 13.126 4.758 1.00 1.00 C ATOM 3 C MET A 1 -7.609 13.659 3.419 1.00 1.00 C ATOM 4 O MET A 1 -7.360 14.822 3.102 1.00 1.00 O ATOM 5 CB MET A 1 -7.920 12.010 5.441 1.00 1.00 C ATOM 6 CG MET A 1 -6.970 10.919 5.943 1.00 1.00 C ATOM 7 SD MET A 1 -5.510 11.535 6.832 1.00 1.00 S ATOM 8 CE MET A 1 -4.545 10.007 6.963 1.00 1.00 C ATOM 0 H1 MET A 1 -6.255 13.989 6.436 1.00 1.00 H new ATOM 0 H2 MET A 1 -6.523 15.071 5.155 1.00 1.00 H new ATOM 0 H3 MET A 1 -7.829 14.526 6.093 1.00 1.00 H new ATOM 0 HA MET A 1 -6.164 12.623 4.516 1.00 1.00 H new ATOM 0 HB2 MET A 1 -8.492 12.421 6.273 1.00 1.00 H new ATOM 0 HB3 MET A 1 -8.638 11.588 4.738 1.00 1.00 H new ATOM 0 HG2 MET A 1 -7.523 10.249 6.601 1.00 1.00 H new ATOM 0 HG3 MET A 1 -6.637 10.326 5.091 1.00 1.00 H new ATOM 0 HE1 MET A 1 -3.692 10.171 7.621 1.00 1.00 H new ATOM 0 HE2 MET A 1 -5.172 9.215 7.372 1.00 1.00 H new ATOM 0 HE3 MET A 1 -4.190 9.715 5.975 1.00 1.00 H new ATOM 20 N GLY A 2 -8.171 12.807 2.574 1.00 1.00 N ATOM 21 CA GLY A 2 -8.522 13.057 1.179 1.00 1.00 C ATOM 22 C GLY A 2 -8.828 11.696 0.562 1.00 1.00 C ATOM 23 O GLY A 2 -8.309 10.712 1.077 1.00 1.00 O ATOM 0 H GLY A 2 -8.411 11.858 2.862 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.385 13.719 1.108 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -7.702 13.546 0.654 1.00 1.00 H new ATOM 27 N ARG A 3 -9.558 11.608 -0.555 1.00 1.00 N ATOM 28 CA ARG A 3 -9.998 10.334 -1.143 1.00 1.00 C ATOM 29 C ARG A 3 -8.909 9.282 -1.222 1.00 1.00 C ATOM 30 O ARG A 3 -9.152 8.153 -0.817 1.00 1.00 O ATOM 31 CB ARG A 3 -10.575 10.508 -2.546 1.00 1.00 C ATOM 32 CG ARG A 3 -11.788 11.434 -2.646 1.00 1.00 C ATOM 33 CD ARG A 3 -12.370 11.236 -4.044 1.00 1.00 C ATOM 34 NE ARG A 3 -13.399 12.225 -4.378 1.00 1.00 N ATOM 35 CZ ARG A 3 -13.994 12.286 -5.575 1.00 1.00 C ATOM 36 NH1 ARG A 3 -13.751 11.343 -6.475 1.00 1.00 N ATOM 37 NH2 ARG A 3 -14.814 13.289 -5.861 1.00 1.00 N ATOM 0 H ARG A 3 -9.864 12.426 -1.083 1.00 1.00 H new ATOM 0 HA ARG A 3 -10.769 9.989 -0.454 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -9.791 10.893 -3.198 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -10.855 9.527 -2.929 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.525 11.191 -1.881 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -11.497 12.473 -2.490 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -11.566 11.293 -4.778 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.797 10.236 -4.116 1.00 1.00 H new ATOM 0 HE ARG A 3 -13.675 12.899 -3.664 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -13.114 10.578 -6.253 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -14.201 11.383 -7.390 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -14.992 14.016 -5.168 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -15.266 13.333 -6.774 1.00 1.00 H new ATOM 51 N ALA A 4 -7.728 9.636 -1.729 1.00 1.00 N ATOM 52 CA ALA A 4 -6.638 8.671 -1.831 1.00 1.00 C ATOM 53 C ALA A 4 -6.286 8.144 -0.446 1.00 1.00 C ATOM 54 O ALA A 4 -6.190 6.942 -0.232 1.00 1.00 O ATOM 55 CB ALA A 4 -5.408 9.300 -2.493 1.00 1.00 C ATOM 0 H ALA A 4 -7.505 10.571 -2.071 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.966 7.841 -2.457 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.611 8.560 -2.557 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.668 9.640 -3.495 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.069 10.148 -1.899 1.00 1.00 H new ATOM 61 N ARG A 5 -6.081 9.056 0.502 1.00 1.00 N ATOM 62 CA ARG A 5 -5.667 8.724 1.856 1.00 1.00 C ATOM 63 C ARG A 5 -6.754 7.921 2.556 1.00 1.00 C ATOM 64 O ARG A 5 -6.435 6.917 3.178 1.00 1.00 O ATOM 65 CB ARG A 5 -5.270 9.998 2.614 1.00 1.00 C ATOM 66 CG ARG A 5 -4.184 10.764 1.837 1.00 1.00 C ATOM 67 CD ARG A 5 -3.287 11.602 2.759 1.00 1.00 C ATOM 68 NE ARG A 5 -3.803 12.965 2.955 1.00 1.00 N ATOM 69 CZ ARG A 5 -3.525 13.760 3.994 1.00 1.00 C ATOM 70 NH1 ARG A 5 -2.884 13.301 5.059 1.00 1.00 N ATOM 71 NH2 ARG A 5 -3.921 15.027 3.979 1.00 1.00 N ATOM 0 H ARG A 5 -6.200 10.057 0.346 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.782 8.089 1.829 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.144 10.634 2.753 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -4.902 9.739 3.607 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.569 10.055 1.283 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -4.658 11.417 1.104 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.201 11.106 3.726 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.284 11.653 2.337 1.00 1.00 H new ATOM 0 HE ARG A 5 -4.426 13.336 2.237 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.593 12.324 5.097 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -2.682 13.924 5.841 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -4.435 15.391 3.177 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -3.711 15.636 4.770 1.00 1.00 H new ATOM 85 N ASP A 6 -8.013 8.337 2.436 1.00 1.00 N ATOM 86 CA ASP A 6 -9.168 7.620 2.953 1.00 1.00 C ATOM 87 C ASP A 6 -9.182 6.207 2.413 1.00 1.00 C ATOM 88 O ASP A 6 -9.271 5.263 3.183 1.00 1.00 O ATOM 89 CB ASP A 6 -10.487 8.301 2.565 1.00 1.00 C ATOM 90 CG ASP A 6 -10.849 9.464 3.471 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.330 10.585 3.265 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.722 9.250 4.344 1.00 1.00 O ATOM 0 H ASP A 6 -8.261 9.206 1.963 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.084 7.617 4.040 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.416 8.658 1.538 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.290 7.565 2.592 1.00 1.00 H new ATOM 97 N ALA A 7 -9.081 6.058 1.096 1.00 1.00 N ATOM 98 CA ALA A 7 -9.189 4.774 0.445 1.00 1.00 C ATOM 99 C ALA A 7 -8.036 3.843 0.823 1.00 1.00 C ATOM 100 O ALA A 7 -8.295 2.666 1.079 1.00 1.00 O ATOM 101 CB ALA A 7 -9.305 5.008 -1.065 1.00 1.00 C ATOM 0 H ALA A 7 -8.921 6.834 0.454 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.086 4.258 0.787 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.388 4.049 -1.576 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.191 5.608 -1.273 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.419 5.534 -1.421 1.00 1.00 H new ATOM 107 N ILE A 8 -6.792 4.334 0.878 1.00 1.00 N ATOM 108 CA ILE A 8 -5.650 3.538 1.331 1.00 1.00 C ATOM 109 C ILE A 8 -5.929 3.107 2.769 1.00 1.00 C ATOM 110 O ILE A 8 -5.886 1.916 3.058 1.00 1.00 O ATOM 111 CB ILE A 8 -4.307 4.297 1.209 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.006 4.720 -0.248 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.139 3.456 1.740 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.166 6.001 -0.304 1.00 1.00 C ATOM 0 H ILE A 8 -6.552 5.289 0.611 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.540 2.665 0.688 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.410 5.196 1.816 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.477 3.915 -0.759 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -4.943 4.875 -0.783 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.211 4.018 1.640 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.309 3.220 2.791 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.067 2.531 1.168 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -2.975 6.266 -1.344 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.706 6.812 0.184 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.218 5.837 0.208 1.00 1.00 H new ATOM 126 N LEU A 9 -6.246 4.050 3.657 1.00 1.00 N ATOM 127 CA LEU A 9 -6.497 3.772 5.063 1.00 1.00 C ATOM 128 C LEU A 9 -7.587 2.721 5.192 1.00 1.00 C ATOM 129 O LEU A 9 -7.387 1.719 5.874 1.00 1.00 O ATOM 130 CB LEU A 9 -6.860 5.095 5.767 1.00 1.00 C ATOM 131 CG LEU A 9 -7.088 5.074 7.290 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.528 4.708 7.660 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.075 4.194 8.029 1.00 1.00 C ATOM 0 H LEU A 9 -6.335 5.036 3.413 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.609 3.365 5.547 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.064 5.811 5.560 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -7.766 5.482 5.301 1.00 1.00 H new ATOM 0 HG LEU A 9 -6.920 6.096 7.629 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.636 4.707 8.745 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.212 5.439 7.228 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.763 3.717 7.271 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.284 4.218 9.098 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.151 3.169 7.667 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.067 4.569 7.848 1.00 1.00 H new ATOM 145 N ASP A 10 -8.705 2.910 4.494 1.00 1.00 N ATOM 146 CA ASP A 10 -9.822 1.977 4.490 1.00 1.00 C ATOM 147 C ASP A 10 -9.380 0.586 4.053 1.00 1.00 C ATOM 148 O ASP A 10 -9.803 -0.405 4.654 1.00 1.00 O ATOM 149 CB ASP A 10 -10.998 2.469 3.619 1.00 1.00 C ATOM 150 CG ASP A 10 -11.907 3.480 4.321 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.300 3.190 5.477 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.364 4.463 3.690 1.00 1.00 O ATOM 0 H ASP A 10 -8.859 3.730 3.907 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.181 1.920 5.518 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.600 2.922 2.711 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.595 1.610 3.312 1.00 1.00 H new ATOM 157 N ALA A 11 -8.532 0.488 3.027 1.00 1.00 N ATOM 158 CA ALA A 11 -8.035 -0.789 2.554 1.00 1.00 C ATOM 159 C ALA A 11 -7.135 -1.448 3.589 1.00 1.00 C ATOM 160 O ALA A 11 -7.293 -2.640 3.846 1.00 1.00 O ATOM 161 CB ALA A 11 -7.305 -0.637 1.217 1.00 1.00 C ATOM 0 H ALA A 11 -8.177 1.291 2.509 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.896 -1.438 2.396 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.943 -1.611 0.887 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.991 -0.233 0.472 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.461 0.041 1.339 1.00 1.00 H new ATOM 167 N LEU A 12 -6.188 -0.706 4.173 1.00 1.00 N ATOM 168 CA LEU A 12 -5.265 -1.296 5.132 1.00 1.00 C ATOM 169 C LEU A 12 -5.975 -1.650 6.441 1.00 1.00 C ATOM 170 O LEU A 12 -5.569 -2.593 7.114 1.00 1.00 O ATOM 171 CB LEU A 12 -3.956 -0.528 5.250 1.00 1.00 C ATOM 172 CG LEU A 12 -3.050 -0.712 4.006 1.00 1.00 C ATOM 173 CD1 LEU A 12 -3.188 -1.974 3.149 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.219 0.438 3.036 1.00 1.00 C ATOM 0 H LEU A 12 -6.046 0.289 3.998 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.928 -2.257 4.744 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.171 0.532 5.386 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.421 -0.862 6.139 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.079 -0.779 4.497 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.477 -1.933 2.324 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -2.984 -2.853 3.760 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.201 -2.035 2.752 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.572 0.284 2.172 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.257 0.487 2.707 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.950 1.372 3.529 1.00 1.00 H new ATOM 186 N GLU A 13 -7.047 -0.941 6.786 1.00 1.00 N ATOM 187 CA GLU A 13 -7.915 -1.219 7.929 1.00 1.00 C ATOM 188 C GLU A 13 -8.627 -2.546 7.646 1.00 1.00 C ATOM 189 O GLU A 13 -8.792 -3.370 8.549 1.00 1.00 O ATOM 190 CB GLU A 13 -8.977 -0.117 8.112 1.00 1.00 C ATOM 191 CG GLU A 13 -8.467 1.148 8.812 1.00 1.00 C ATOM 192 CD GLU A 13 -8.550 1.068 10.334 1.00 1.00 C ATOM 193 OE1 GLU A 13 -7.963 0.142 10.937 1.00 1.00 O ATOM 194 OE2 GLU A 13 -9.197 1.939 10.968 1.00 1.00 O ATOM 0 H GLU A 13 -7.348 -0.123 6.255 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.315 -1.261 8.838 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.369 0.158 7.133 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.809 -0.524 8.686 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.432 1.325 8.520 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.046 2.005 8.468 1.00 1.00 H new ATOM 201 N ASN A 14 -9.115 -2.737 6.413 1.00 1.00 N ATOM 202 CA ASN A 14 -9.797 -3.949 5.986 1.00 1.00 C ATOM 203 C ASN A 14 -8.862 -5.133 5.731 1.00 1.00 C ATOM 204 O ASN A 14 -9.363 -6.250 5.550 1.00 1.00 O ATOM 205 CB ASN A 14 -10.641 -3.652 4.744 1.00 1.00 C ATOM 206 CG ASN A 14 -11.949 -2.982 5.130 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.725 -3.512 5.912 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.219 -1.799 4.610 1.00 1.00 N ATOM 0 H ASN A 14 -9.041 -2.035 5.676 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.436 -4.255 6.814 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.083 -3.007 4.065 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.846 -4.578 4.208 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.083 -1.317 4.860 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.564 -1.367 3.959 1.00 1.00 H new ATOM 215 N LEU A 15 -7.538 -4.946 5.669 1.00 1.00 N ATOM 216 CA LEU A 15 -6.614 -6.059 5.545 1.00 1.00 C ATOM 217 C LEU A 15 -6.365 -6.603 6.944 1.00 1.00 C ATOM 218 O LEU A 15 -6.438 -5.883 7.939 1.00 1.00 O ATOM 219 CB LEU A 15 -5.270 -5.635 4.930 1.00 1.00 C ATOM 220 CG LEU A 15 -5.180 -5.493 3.395 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.730 -5.702 2.924 1.00 1.00 C ATOM 222 CD2 LEU A 15 -6.041 -6.505 2.642 1.00 1.00 C ATOM 0 H LEU A 15 -7.091 -4.030 5.703 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.052 -6.807 4.884 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.991 -4.677 5.369 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.518 -6.360 5.242 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.541 -4.488 3.175 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.681 -5.599 1.840 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.085 -4.956 3.389 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.395 -6.699 3.209 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.931 -6.349 1.569 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.721 -7.515 2.897 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.086 -6.373 2.922 1.00 1.00 H new ATOM 234 N THR A 16 -6.032 -7.883 7.009 1.00 1.00 N ATOM 235 CA THR A 16 -5.781 -8.585 8.251 1.00 1.00 C ATOM 236 C THR A 16 -4.284 -8.625 8.534 1.00 1.00 C ATOM 237 O THR A 16 -3.487 -8.196 7.702 1.00 1.00 O ATOM 238 CB THR A 16 -6.406 -9.983 8.136 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.869 -10.632 6.997 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.932 -9.934 7.993 1.00 1.00 C ATOM 0 H THR A 16 -5.928 -8.471 6.182 1.00 1.00 H new ATOM 0 HA THR A 16 -6.237 -8.072 9.098 1.00 1.00 H new ATOM 0 HB THR A 16 -6.173 -10.523 9.054 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.260 -11.527 6.915 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.323 -10.949 7.915 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.364 -9.444 8.866 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.196 -9.374 7.096 1.00 1.00 H new ATOM 248 N ALA A 17 -3.877 -9.152 9.691 1.00 1.00 N ATOM 249 CA ALA A 17 -2.465 -9.222 10.056 1.00 1.00 C ATOM 250 C ALA A 17 -1.636 -9.963 9.001 1.00 1.00 C ATOM 251 O ALA A 17 -0.528 -9.531 8.682 1.00 1.00 O ATOM 252 CB ALA A 17 -2.299 -9.885 11.429 1.00 1.00 C ATOM 0 H ALA A 17 -4.510 -9.537 10.392 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.090 -8.200 10.107 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.241 -9.929 11.686 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.831 -9.302 12.181 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.707 -10.895 11.397 1.00 1.00 H new ATOM 258 N GLU A 18 -2.121 -11.089 8.480 1.00 1.00 N ATOM 259 CA GLU A 18 -1.373 -11.896 7.520 1.00 1.00 C ATOM 260 C GLU A 18 -1.327 -11.223 6.151 1.00 1.00 C ATOM 261 O GLU A 18 -0.286 -11.229 5.490 1.00 1.00 O ATOM 262 CB GLU A 18 -2.007 -13.282 7.453 1.00 1.00 C ATOM 263 CG GLU A 18 -1.263 -14.267 6.547 1.00 1.00 C ATOM 264 CD GLU A 18 -1.607 -15.698 6.954 1.00 1.00 C ATOM 265 OE1 GLU A 18 -2.813 -16.044 7.007 1.00 1.00 O ATOM 266 OE2 GLU A 18 -0.677 -16.436 7.351 1.00 1.00 O ATOM 0 H GLU A 18 -3.040 -11.466 8.711 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.338 -11.994 7.847 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.055 -13.697 8.460 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.033 -13.184 7.099 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.538 -14.098 5.506 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.188 -14.105 6.623 1.00 1.00 H new ATOM 273 N GLU A 19 -2.429 -10.598 5.735 1.00 1.00 N ATOM 274 CA GLU A 19 -2.444 -9.840 4.496 1.00 1.00 C ATOM 275 C GLU A 19 -1.488 -8.658 4.649 1.00 1.00 C ATOM 276 O GLU A 19 -0.622 -8.458 3.806 1.00 1.00 O ATOM 277 CB GLU A 19 -3.868 -9.390 4.149 1.00 1.00 C ATOM 278 CG GLU A 19 -4.812 -10.546 3.783 1.00 1.00 C ATOM 279 CD GLU A 19 -4.585 -11.128 2.381 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.489 -10.998 1.794 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.534 -11.738 1.832 1.00 1.00 O ATOM 0 H GLU A 19 -3.316 -10.605 6.239 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.110 -10.463 3.666 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.285 -8.848 4.998 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.825 -8.690 3.314 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.694 -11.342 4.518 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.842 -10.196 3.856 1.00 1.00 H new ATOM 288 N LEU A 20 -1.548 -7.917 5.758 1.00 1.00 N ATOM 289 CA LEU A 20 -0.621 -6.826 6.021 1.00 1.00 C ATOM 290 C LEU A 20 0.820 -7.329 6.060 1.00 1.00 C ATOM 291 O LEU A 20 1.703 -6.619 5.597 1.00 1.00 O ATOM 292 CB LEU A 20 -0.998 -6.033 7.289 1.00 1.00 C ATOM 293 CG LEU A 20 -2.250 -5.143 7.115 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.574 -4.384 8.396 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.050 -4.072 6.033 1.00 1.00 C ATOM 0 H LEU A 20 -2.240 -8.060 6.494 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.699 -6.123 5.191 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.171 -6.733 8.107 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.155 -5.406 7.579 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.053 -5.827 6.841 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.459 -3.768 8.240 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.763 -5.094 9.201 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.731 -3.747 8.664 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.955 -3.470 5.945 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.212 -3.430 6.307 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.841 -4.554 5.078 1.00 1.00 H new ATOM 307 N LYS A 21 1.104 -8.550 6.520 1.00 1.00 N ATOM 308 CA LYS A 21 2.456 -9.104 6.468 1.00 1.00 C ATOM 309 C LYS A 21 2.908 -9.197 5.010 1.00 1.00 C ATOM 310 O LYS A 21 3.990 -8.712 4.656 1.00 1.00 O ATOM 311 CB LYS A 21 2.441 -10.493 7.114 1.00 1.00 C ATOM 312 CG LYS A 21 3.841 -11.084 7.359 1.00 1.00 C ATOM 313 CD LYS A 21 4.643 -10.407 8.481 1.00 1.00 C ATOM 314 CE LYS A 21 3.883 -10.471 9.808 1.00 1.00 C ATOM 315 NZ LYS A 21 4.746 -10.275 10.983 1.00 1.00 N ATOM 0 H LYS A 21 0.412 -9.174 6.934 1.00 1.00 H new ATOM 0 HA LYS A 21 3.152 -8.463 7.009 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.911 -10.435 8.065 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.877 -11.173 6.476 1.00 1.00 H new ATOM 0 HG2 LYS A 21 3.736 -12.143 7.596 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.413 -11.020 6.434 1.00 1.00 H new ATOM 0 HD2 LYS A 21 5.611 -10.896 8.588 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.838 -9.367 8.218 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.102 -9.710 9.809 1.00 1.00 H new ATOM 0 HE3 LYS A 21 3.386 -11.438 9.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 4.172 -10.330 11.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 5.476 -11.015 11.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 5.201 -9.341 10.928 1.00 1.00 H new ATOM 329 N LYS A 22 2.088 -9.834 4.166 1.00 1.00 N ATOM 330 CA LYS A 22 2.390 -9.952 2.748 1.00 1.00 C ATOM 331 C LYS A 22 2.464 -8.584 2.087 1.00 1.00 C ATOM 332 O LYS A 22 3.347 -8.409 1.257 1.00 1.00 O ATOM 333 CB LYS A 22 1.403 -10.902 2.042 1.00 1.00 C ATOM 334 CG LYS A 22 1.745 -12.389 2.216 1.00 1.00 C ATOM 335 CD LYS A 22 3.024 -12.773 1.454 1.00 1.00 C ATOM 336 CE LYS A 22 3.387 -14.246 1.651 1.00 1.00 C ATOM 337 NZ LYS A 22 4.696 -14.533 1.034 1.00 1.00 N ATOM 0 H LYS A 22 1.212 -10.273 4.447 1.00 1.00 H new ATOM 0 HA LYS A 22 3.378 -10.402 2.646 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.400 -10.722 2.428 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.383 -10.665 0.978 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.872 -12.611 3.275 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.913 -12.997 1.860 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.887 -12.572 0.391 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.850 -12.147 1.793 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.418 -14.482 2.715 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.620 -14.880 1.206 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.933 -15.536 1.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.653 -14.326 0.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 5.426 -13.940 1.477 1.00 1.00 H new ATOM 351 N PHE A 23 1.641 -7.608 2.467 1.00 1.00 N ATOM 352 CA PHE A 23 1.710 -6.246 1.954 1.00 1.00 C ATOM 353 C PHE A 23 3.055 -5.633 2.302 1.00 1.00 C ATOM 354 O PHE A 23 3.774 -5.178 1.419 1.00 1.00 O ATOM 355 CB PHE A 23 0.570 -5.401 2.535 1.00 1.00 C ATOM 356 CG PHE A 23 0.459 -3.995 1.968 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.384 -3.788 0.575 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.392 -2.888 2.835 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.210 -2.494 0.054 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.201 -1.599 2.311 1.00 1.00 C ATOM 361 CZ PHE A 23 0.116 -1.396 0.924 1.00 1.00 C ATOM 0 H PHE A 23 0.897 -7.746 3.151 1.00 1.00 H new ATOM 0 HA PHE A 23 1.603 -6.269 0.870 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.372 -5.921 2.363 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.703 -5.332 3.615 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.461 -4.630 -0.097 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.487 -3.030 3.901 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.149 -2.345 -1.014 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.119 -0.756 2.981 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.021 -0.400 0.529 1.00 1.00 H new ATOM 371 N LYS A 24 3.424 -5.652 3.584 1.00 1.00 N ATOM 372 CA LYS A 24 4.667 -5.105 4.091 1.00 1.00 C ATOM 373 C LYS A 24 5.871 -5.690 3.351 1.00 1.00 C ATOM 374 O LYS A 24 6.839 -4.976 3.103 1.00 1.00 O ATOM 375 CB LYS A 24 4.708 -5.308 5.609 1.00 1.00 C ATOM 376 CG LYS A 24 3.724 -4.377 6.351 1.00 1.00 C ATOM 377 CD LYS A 24 3.786 -4.623 7.862 1.00 1.00 C ATOM 378 CE LYS A 24 2.905 -3.616 8.603 1.00 1.00 C ATOM 379 NZ LYS A 24 2.752 -3.982 10.024 1.00 1.00 N ATOM 0 H LYS A 24 2.842 -6.063 4.314 1.00 1.00 H new ATOM 0 HA LYS A 24 4.719 -4.033 3.902 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.468 -6.346 5.841 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.720 -5.126 5.971 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.967 -3.336 6.136 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.710 -4.549 5.990 1.00 1.00 H new ATOM 0 HD2 LYS A 24 3.456 -5.638 8.085 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.816 -4.539 8.209 1.00 1.00 H new ATOM 0 HE2 LYS A 24 3.343 -2.621 8.527 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.924 -3.570 8.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.843 -3.622 10.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.776 -5.017 10.120 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 3.529 -3.565 10.575 1.00 1.00 H new ATOM 393 N LEU A 25 5.844 -6.977 3.001 1.00 1.00 N ATOM 394 CA LEU A 25 6.894 -7.578 2.187 1.00 1.00 C ATOM 395 C LEU A 25 6.770 -7.085 0.752 1.00 1.00 C ATOM 396 O LEU A 25 7.756 -6.613 0.195 1.00 1.00 O ATOM 397 CB LEU A 25 6.761 -9.113 2.205 1.00 1.00 C ATOM 398 CG LEU A 25 7.351 -9.763 3.462 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.746 -11.150 3.688 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.873 -9.875 3.330 1.00 1.00 C ATOM 0 H LEU A 25 5.102 -7.623 3.271 1.00 1.00 H new ATOM 0 HA LEU A 25 7.864 -7.294 2.594 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.707 -9.379 2.128 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.258 -9.523 1.326 1.00 1.00 H new ATOM 0 HG LEU A 25 7.110 -9.135 4.319 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.178 -11.594 4.585 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.667 -11.060 3.811 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.961 -11.785 2.829 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.283 -10.338 4.228 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.119 -10.486 2.462 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.302 -8.880 3.206 1.00 1.00 H new ATOM 412 N LYS A 26 5.587 -7.197 0.141 1.00 1.00 N ATOM 413 CA LYS A 26 5.348 -6.869 -1.261 1.00 1.00 C ATOM 414 C LYS A 26 5.714 -5.430 -1.600 1.00 1.00 C ATOM 415 O LYS A 26 6.285 -5.205 -2.668 1.00 1.00 O ATOM 416 CB LYS A 26 3.921 -7.257 -1.681 1.00 1.00 C ATOM 417 CG LYS A 26 3.839 -8.772 -1.942 1.00 1.00 C ATOM 418 CD LYS A 26 4.345 -9.102 -3.354 1.00 1.00 C ATOM 419 CE LYS A 26 4.522 -10.600 -3.600 1.00 1.00 C ATOM 420 NZ LYS A 26 3.232 -11.305 -3.555 1.00 1.00 N ATOM 0 H LYS A 26 4.750 -7.527 0.623 1.00 1.00 H new ATOM 0 HA LYS A 26 6.026 -7.474 -1.862 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.215 -6.976 -0.900 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.637 -6.710 -2.580 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.434 -9.307 -1.202 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.809 -9.111 -1.830 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.644 -8.701 -4.086 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.298 -8.599 -3.517 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.992 -10.758 -4.571 1.00 1.00 H new ATOM 0 HE3 LYS A 26 5.193 -11.017 -2.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.385 -12.320 -3.725 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 2.797 -11.173 -2.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 2.601 -10.922 -4.288 1.00 1.00 H new ATOM 434 N LEU A 27 5.502 -4.490 -0.679 1.00 1.00 N ATOM 435 CA LEU A 27 5.895 -3.087 -0.806 1.00 1.00 C ATOM 436 C LEU A 27 7.386 -2.936 -1.107 1.00 1.00 C ATOM 437 O LEU A 27 7.801 -1.924 -1.673 1.00 1.00 O ATOM 438 CB LEU A 27 5.585 -2.354 0.514 1.00 1.00 C ATOM 439 CG LEU A 27 4.104 -1.985 0.697 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.833 -1.536 2.126 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.724 -0.821 -0.206 1.00 1.00 C ATOM 0 H LEU A 27 5.036 -4.691 0.206 1.00 1.00 H new ATOM 0 HA LEU A 27 5.333 -2.659 -1.636 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.897 -2.983 1.348 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.183 -1.444 0.560 1.00 1.00 H new ATOM 0 HG LEU A 27 3.523 -2.874 0.452 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.779 -1.280 2.233 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.082 -2.344 2.815 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.444 -0.663 2.355 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.672 -0.576 -0.061 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.336 0.046 0.042 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.892 -1.098 -1.247 1.00 1.00 H new ATOM 453 N LEU A 28 8.193 -3.935 -0.745 1.00 1.00 N ATOM 454 CA LEU A 28 9.639 -3.905 -0.862 1.00 1.00 C ATOM 455 C LEU A 28 10.067 -5.235 -1.534 1.00 1.00 C ATOM 456 O LEU A 28 11.173 -5.730 -1.350 1.00 1.00 O ATOM 457 CB LEU A 28 10.146 -3.708 0.578 1.00 1.00 C ATOM 458 CG LEU A 28 11.569 -3.116 0.709 1.00 1.00 C ATOM 459 CD1 LEU A 28 11.990 -3.197 2.176 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.700 -3.591 -0.208 1.00 1.00 C ATOM 0 H LEU A 28 7.842 -4.808 -0.352 1.00 1.00 H new ATOM 0 HA LEU A 28 10.054 -3.109 -1.480 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.450 -3.054 1.103 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.124 -4.672 1.087 1.00 1.00 H new ATOM 0 HG LEU A 28 11.441 -2.101 0.333 1.00 1.00 H new ATOM 0 HD11 LEU A 28 12.992 -2.784 2.290 1.00 1.00 H new ATOM 0 HD12 LEU A 28 11.291 -2.627 2.787 1.00 1.00 H new ATOM 0 HD13 LEU A 28 11.988 -4.238 2.498 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.618 -3.058 0.040 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.854 -4.661 -0.071 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.434 -3.392 -1.246 1.00 1.00 H new ATOM 472 N SER A 29 9.168 -5.872 -2.285 1.00 1.00 N ATOM 473 CA SER A 29 9.410 -7.074 -3.081 1.00 1.00 C ATOM 474 C SER A 29 9.615 -6.607 -4.516 1.00 1.00 C ATOM 475 O SER A 29 10.460 -7.134 -5.245 1.00 1.00 O ATOM 476 CB SER A 29 8.197 -7.997 -2.965 1.00 1.00 C ATOM 477 OG SER A 29 8.293 -9.181 -3.724 1.00 1.00 O ATOM 0 H SER A 29 8.204 -5.547 -2.358 1.00 1.00 H new ATOM 0 HA SER A 29 10.283 -7.630 -2.740 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.056 -8.262 -1.917 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.308 -7.450 -3.278 1.00 1.00 H new ATOM 0 HG SER A 29 7.483 -9.718 -3.597 1.00 1.00 H new ATOM 483 N VAL A 30 8.805 -5.639 -4.941 1.00 1.00 N ATOM 484 CA VAL A 30 8.943 -5.004 -6.227 1.00 1.00 C ATOM 485 C VAL A 30 9.952 -3.871 -6.014 1.00 1.00 C ATOM 486 O VAL A 30 9.753 -3.056 -5.104 1.00 1.00 O ATOM 487 CB VAL A 30 7.567 -4.544 -6.741 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.818 -3.538 -5.849 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.714 -3.976 -8.153 1.00 1.00 C ATOM 0 H VAL A 30 8.029 -5.278 -4.387 1.00 1.00 H new ATOM 0 HA VAL A 30 9.313 -5.671 -7.006 1.00 1.00 H new ATOM 0 HB VAL A 30 6.946 -5.440 -6.729 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.863 -3.285 -6.309 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.643 -3.981 -4.869 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.417 -2.634 -5.737 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.740 -3.650 -8.517 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.397 -3.127 -8.134 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.110 -4.746 -8.815 1.00 1.00 H new ATOM 499 N PRO A 31 11.065 -3.822 -6.760 1.00 1.00 N ATOM 500 CA PRO A 31 11.971 -2.696 -6.657 1.00 1.00 C ATOM 501 C PRO A 31 11.196 -1.511 -7.234 1.00 1.00 C ATOM 502 O PRO A 31 10.855 -1.510 -8.422 1.00 1.00 O ATOM 503 CB PRO A 31 13.193 -3.071 -7.491 1.00 1.00 C ATOM 504 CG PRO A 31 12.668 -4.090 -8.505 1.00 1.00 C ATOM 505 CD PRO A 31 11.510 -4.768 -7.773 1.00 1.00 C ATOM 0 HA PRO A 31 12.306 -2.445 -5.651 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.617 -2.199 -7.988 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.981 -3.498 -6.871 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.333 -3.606 -9.422 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.438 -4.808 -8.787 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.701 -5.010 -8.462 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.832 -5.705 -7.317 1.00 1.00 H new ATOM 513 N LEU A 32 10.959 -0.469 -6.440 1.00 1.00 N ATOM 514 CA LEU A 32 10.121 0.627 -6.905 1.00 1.00 C ATOM 515 C LEU A 32 10.953 1.593 -7.748 1.00 1.00 C ATOM 516 O LEU A 32 12.186 1.590 -7.676 1.00 1.00 O ATOM 517 CB LEU A 32 9.483 1.329 -5.702 1.00 1.00 C ATOM 518 CG LEU A 32 8.235 2.130 -6.119 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.029 1.689 -5.295 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.481 3.625 -5.964 1.00 1.00 C ATOM 0 H LEU A 32 11.326 -0.363 -5.494 1.00 1.00 H new ATOM 0 HA LEU A 32 9.319 0.242 -7.535 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.209 0.589 -4.950 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.210 1.998 -5.241 1.00 1.00 H new ATOM 0 HG LEU A 32 8.026 1.931 -7.170 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.152 2.262 -5.598 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.844 0.628 -5.460 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.228 1.862 -4.237 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.588 4.174 -6.263 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.713 3.850 -4.923 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.319 3.923 -6.595 1.00 1.00 H new ATOM 532 N ARG A 33 10.271 2.475 -8.474 1.00 1.00 N ATOM 533 CA ARG A 33 10.864 3.392 -9.429 1.00 1.00 C ATOM 534 C ARG A 33 11.622 4.521 -8.742 1.00 1.00 C ATOM 535 O ARG A 33 11.440 4.816 -7.563 1.00 1.00 O ATOM 536 CB ARG A 33 9.728 3.984 -10.287 1.00 1.00 C ATOM 537 CG ARG A 33 9.006 2.919 -11.130 1.00 1.00 C ATOM 538 CD ARG A 33 7.919 3.543 -12.012 1.00 1.00 C ATOM 539 NE ARG A 33 7.352 2.551 -12.942 1.00 1.00 N ATOM 540 CZ ARG A 33 7.682 2.360 -14.225 1.00 1.00 C ATOM 541 NH1 ARG A 33 8.665 3.054 -14.787 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.025 1.462 -14.947 1.00 1.00 N ATOM 0 H ARG A 33 9.258 2.570 -8.408 1.00 1.00 H new ATOM 0 HA ARG A 33 11.582 2.846 -10.041 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.006 4.478 -9.637 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.137 4.749 -10.947 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.730 2.397 -11.757 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.559 2.174 -10.472 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.127 3.950 -11.384 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.339 4.376 -12.576 1.00 1.00 H new ATOM 0 HE ARG A 33 6.626 1.941 -12.566 1.00 1.00 H new ATOM 0 HH11 ARG A 33 9.180 3.744 -14.240 1.00 1.00 H new ATOM 0 HH12 ARG A 33 8.905 2.897 -15.766 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.271 0.920 -14.524 1.00 1.00 H new ATOM 0 HH22 ARG A 33 7.273 1.313 -15.925 1.00 1.00 H new ATOM 556 N GLU A 34 12.476 5.169 -9.522 1.00 1.00 N ATOM 557 CA GLU A 34 13.342 6.234 -9.060 1.00 1.00 C ATOM 558 C GLU A 34 12.547 7.537 -9.070 1.00 1.00 C ATOM 559 O GLU A 34 11.655 7.711 -9.902 1.00 1.00 O ATOM 560 CB GLU A 34 14.536 6.280 -10.022 1.00 1.00 C ATOM 561 CG GLU A 34 15.509 7.436 -9.774 1.00 1.00 C ATOM 562 CD GLU A 34 16.699 7.371 -10.728 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.499 7.179 -11.948 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.850 7.552 -10.264 1.00 1.00 O ATOM 0 H GLU A 34 12.585 4.961 -10.515 1.00 1.00 H new ATOM 0 HA GLU A 34 13.705 6.076 -8.044 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.083 5.340 -9.947 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.161 6.351 -11.043 1.00 1.00 H new ATOM 0 HG2 GLU A 34 14.989 8.386 -9.901 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.863 7.402 -8.744 1.00 1.00 H new ATOM 571 N GLY A 35 12.880 8.457 -8.163 1.00 1.00 N ATOM 572 CA GLY A 35 12.153 9.709 -7.983 1.00 1.00 C ATOM 573 C GLY A 35 10.949 9.546 -7.055 1.00 1.00 C ATOM 574 O GLY A 35 10.203 10.502 -6.861 1.00 1.00 O ATOM 0 H GLY A 35 13.671 8.350 -7.528 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.826 10.463 -7.574 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.816 10.075 -8.953 1.00 1.00 H new ATOM 578 N TYR A 36 10.754 8.357 -6.477 1.00 1.00 N ATOM 579 CA TYR A 36 9.716 8.019 -5.514 1.00 1.00 C ATOM 580 C TYR A 36 10.368 7.283 -4.337 1.00 1.00 C ATOM 581 O TYR A 36 11.520 6.847 -4.439 1.00 1.00 O ATOM 582 CB TYR A 36 8.659 7.149 -6.207 1.00 1.00 C ATOM 583 CG TYR A 36 7.738 7.898 -7.151 1.00 1.00 C ATOM 584 CD1 TYR A 36 6.543 8.447 -6.655 1.00 1.00 C ATOM 585 CD2 TYR A 36 8.053 8.032 -8.519 1.00 1.00 C ATOM 586 CE1 TYR A 36 5.645 9.087 -7.521 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.160 8.685 -9.390 1.00 1.00 C ATOM 588 CZ TYR A 36 5.937 9.198 -8.897 1.00 1.00 C ATOM 589 OH TYR A 36 5.050 9.822 -9.717 1.00 1.00 O ATOM 0 H TYR A 36 11.356 7.561 -6.685 1.00 1.00 H new ATOM 0 HA TYR A 36 9.223 8.914 -5.134 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.166 6.362 -6.765 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.054 6.660 -5.444 1.00 1.00 H new ATOM 0 HD1 TYR A 36 6.315 8.376 -5.602 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.982 7.633 -8.900 1.00 1.00 H new ATOM 0 HE1 TYR A 36 4.725 9.497 -7.133 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.409 8.794 -10.435 1.00 1.00 H new ATOM 0 HH TYR A 36 4.159 9.435 -9.590 1.00 1.00 H new ATOM 599 N GLY A 37 9.654 7.154 -3.218 1.00 1.00 N ATOM 600 CA GLY A 37 10.197 6.567 -2.000 1.00 1.00 C ATOM 601 C GLY A 37 10.378 5.053 -2.085 1.00 1.00 C ATOM 602 O GLY A 37 9.884 4.385 -2.990 1.00 1.00 O ATOM 0 H GLY A 37 8.683 7.455 -3.134 1.00 1.00 H new ATOM 0 HA2 GLY A 37 11.160 7.029 -1.781 1.00 1.00 H new ATOM 0 HA3 GLY A 37 9.534 6.800 -1.166 1.00 1.00 H new ATOM 606 N ARG A 38 11.039 4.471 -1.088 1.00 1.00 N ATOM 607 CA ARG A 38 11.220 3.029 -0.929 1.00 1.00 C ATOM 608 C ARG A 38 10.960 2.777 0.547 1.00 1.00 C ATOM 609 O ARG A 38 11.760 3.239 1.362 1.00 1.00 O ATOM 610 CB ARG A 38 12.662 2.612 -1.281 1.00 1.00 C ATOM 611 CG ARG A 38 12.979 2.535 -2.779 1.00 1.00 C ATOM 612 CD ARG A 38 12.459 1.243 -3.428 1.00 1.00 C ATOM 613 NE ARG A 38 12.980 1.113 -4.804 1.00 1.00 N ATOM 614 CZ ARG A 38 14.145 0.558 -5.164 1.00 1.00 C ATOM 615 NH1 ARG A 38 14.976 0.089 -4.241 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.456 0.482 -6.452 1.00 1.00 N ATOM 0 H ARG A 38 11.479 5.009 -0.341 1.00 1.00 H new ATOM 0 HA ARG A 38 10.559 2.461 -1.584 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.350 3.319 -0.818 1.00 1.00 H new ATOM 0 HB3 ARG A 38 12.859 1.637 -0.835 1.00 1.00 H new ATOM 0 HG2 ARG A 38 12.538 3.394 -3.284 1.00 1.00 H new ATOM 0 HG3 ARG A 38 14.058 2.600 -2.922 1.00 1.00 H new ATOM 0 HD2 ARG A 38 12.764 0.382 -2.834 1.00 1.00 H new ATOM 0 HD3 ARG A 38 11.369 1.249 -3.444 1.00 1.00 H new ATOM 0 HE ARG A 38 12.395 1.482 -5.554 1.00 1.00 H new ATOM 0 HH11 ARG A 38 14.728 0.150 -3.253 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.862 -0.333 -4.519 1.00 1.00 H new ATOM 0 HH21 ARG A 38 13.811 0.844 -7.155 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.340 0.062 -6.739 1.00 1.00 H new ATOM 630 N ILE A 39 9.844 2.154 0.926 1.00 1.00 N ATOM 631 CA ILE A 39 9.518 1.992 2.342 1.00 1.00 C ATOM 632 C ILE A 39 10.266 0.746 2.850 1.00 1.00 C ATOM 633 O ILE A 39 10.017 -0.341 2.328 1.00 1.00 O ATOM 634 CB ILE A 39 7.994 1.879 2.588 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.176 2.896 1.763 1.00 1.00 C ATOM 636 CG2 ILE A 39 7.742 2.104 4.089 1.00 1.00 C ATOM 637 CD1 ILE A 39 5.666 2.878 2.037 1.00 1.00 C ATOM 0 H ILE A 39 9.159 1.758 0.282 1.00 1.00 H new ATOM 0 HA ILE A 39 9.835 2.878 2.893 1.00 1.00 H new ATOM 0 HB ILE A 39 7.666 0.889 2.270 1.00 1.00 H new ATOM 0 HG12 ILE A 39 7.556 3.897 1.966 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.342 2.701 0.704 1.00 1.00 H new ATOM 0 HG21 ILE A 39 6.674 2.030 4.294 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.275 1.347 4.665 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.098 3.094 4.373 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.174 3.624 1.413 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.266 1.891 1.806 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.484 3.106 3.087 1.00 1.00 H new ATOM 649 N PRO A 40 11.186 0.868 3.826 1.00 1.00 N ATOM 650 CA PRO A 40 11.897 -0.280 4.369 1.00 1.00 C ATOM 651 C PRO A 40 10.976 -1.160 5.212 1.00 1.00 C ATOM 652 O PRO A 40 9.982 -0.699 5.786 1.00 1.00 O ATOM 653 CB PRO A 40 13.057 0.276 5.183 1.00 1.00 C ATOM 654 CG PRO A 40 12.566 1.658 5.583 1.00 1.00 C ATOM 655 CD PRO A 40 11.633 2.092 4.463 1.00 1.00 C ATOM 0 HA PRO A 40 12.265 -0.926 3.572 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.272 -0.343 6.054 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.973 0.328 4.595 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.045 1.629 6.540 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.398 2.354 5.694 1.00 1.00 H new ATOM 0 HD2 PRO A 40 10.789 2.660 4.855 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.149 2.737 3.752 1.00 1.00 H new ATOM 663 N ARG A 41 11.357 -2.430 5.360 1.00 1.00 N ATOM 664 CA ARG A 41 10.521 -3.409 6.034 1.00 1.00 C ATOM 665 C ARG A 41 10.415 -3.159 7.533 1.00 1.00 C ATOM 666 O ARG A 41 9.317 -3.284 8.061 1.00 1.00 O ATOM 667 CB ARG A 41 10.989 -4.834 5.697 1.00 1.00 C ATOM 668 CG ARG A 41 9.872 -5.850 5.970 1.00 1.00 C ATOM 669 CD ARG A 41 10.341 -7.273 5.675 1.00 1.00 C ATOM 670 NE ARG A 41 9.319 -8.274 6.015 1.00 1.00 N ATOM 671 CZ ARG A 41 9.188 -8.951 7.165 1.00 1.00 C ATOM 672 NH1 ARG A 41 10.050 -8.799 8.163 1.00 1.00 N ATOM 673 NH2 ARG A 41 8.165 -9.784 7.307 1.00 1.00 N ATOM 0 H ARG A 41 12.244 -2.800 5.018 1.00 1.00 H new ATOM 0 HA ARG A 41 9.505 -3.297 5.656 1.00 1.00 H new ATOM 0 HB2 ARG A 41 11.287 -4.886 4.650 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.868 -5.084 6.291 1.00 1.00 H new ATOM 0 HG2 ARG A 41 9.555 -5.776 7.010 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.004 -5.615 5.355 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.595 -7.359 4.618 1.00 1.00 H new ATOM 0 HD3 ARG A 41 11.251 -7.479 6.239 1.00 1.00 H new ATOM 0 HE ARG A 41 8.629 -8.477 5.292 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.835 -8.155 8.065 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.927 -9.326 9.028 1.00 1.00 H new ATOM 0 HH21 ARG A 41 7.494 -9.901 6.548 1.00 1.00 H new ATOM 0 HH22 ARG A 41 8.050 -10.307 8.175 1.00 1.00 H new ATOM 687 N GLY A 42 11.493 -2.787 8.227 1.00 1.00 N ATOM 688 CA GLY A 42 11.415 -2.538 9.664 1.00 1.00 C ATOM 689 C GLY A 42 10.446 -1.400 9.972 1.00 1.00 C ATOM 690 O GLY A 42 9.628 -1.511 10.892 1.00 1.00 O ATOM 0 H GLY A 42 12.419 -2.653 7.821 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.091 -3.444 10.176 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.405 -2.291 10.048 1.00 1.00 H new ATOM 694 N ALA A 43 10.509 -0.321 9.184 1.00 1.00 N ATOM 695 CA ALA A 43 9.585 0.796 9.300 1.00 1.00 C ATOM 696 C ALA A 43 8.162 0.272 9.124 1.00 1.00 C ATOM 697 O ALA A 43 7.304 0.492 9.983 1.00 1.00 O ATOM 698 CB ALA A 43 9.915 1.878 8.268 1.00 1.00 C ATOM 0 H ALA A 43 11.206 -0.204 8.449 1.00 1.00 H new ATOM 0 HA ALA A 43 9.677 1.255 10.285 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.213 2.705 8.371 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.930 2.241 8.433 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.838 1.459 7.265 1.00 1.00 H new ATOM 704 N LEU A 44 7.941 -0.485 8.047 1.00 1.00 N ATOM 705 CA LEU A 44 6.666 -1.124 7.787 1.00 1.00 C ATOM 706 C LEU A 44 6.148 -1.903 8.981 1.00 1.00 C ATOM 707 O LEU A 44 5.042 -1.598 9.404 1.00 1.00 O ATOM 708 CB LEU A 44 6.692 -1.943 6.490 1.00 1.00 C ATOM 709 CG LEU A 44 6.488 -1.046 5.264 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.851 -1.764 3.967 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.038 -0.558 5.153 1.00 1.00 C ATOM 0 H LEU A 44 8.648 -0.667 7.334 1.00 1.00 H new ATOM 0 HA LEU A 44 5.938 -0.328 7.628 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.644 -2.467 6.406 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.912 -2.704 6.521 1.00 1.00 H new ATOM 0 HG LEU A 44 7.152 -0.193 5.405 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.692 -1.093 3.123 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.898 -2.065 3.999 1.00 1.00 H new ATOM 0 HD13 LEU A 44 6.223 -2.647 3.852 1.00 1.00 H new ATOM 0 HD21 LEU A 44 4.934 0.075 4.272 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.371 -1.416 5.065 1.00 1.00 H new ATOM 0 HD23 LEU A 44 4.777 0.014 6.043 1.00 1.00 H new ATOM 723 N LEU A 45 6.918 -2.830 9.554 1.00 1.00 N ATOM 724 CA LEU A 45 6.495 -3.557 10.758 1.00 1.00 C ATOM 725 C LEU A 45 6.096 -2.614 11.888 1.00 1.00 C ATOM 726 O LEU A 45 5.099 -2.883 12.556 1.00 1.00 O ATOM 727 CB LEU A 45 7.512 -4.592 11.277 1.00 1.00 C ATOM 728 CG LEU A 45 7.533 -5.973 10.591 1.00 1.00 C ATOM 729 CD1 LEU A 45 6.177 -6.688 10.595 1.00 1.00 C ATOM 730 CD2 LEU A 45 8.064 -5.930 9.165 1.00 1.00 C ATOM 0 H LEU A 45 7.839 -3.097 9.205 1.00 1.00 H new ATOM 0 HA LEU A 45 5.621 -4.120 10.429 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.508 -4.158 11.190 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.323 -4.747 12.339 1.00 1.00 H new ATOM 0 HG LEU A 45 8.224 -6.548 11.207 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.272 -7.652 10.095 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.851 -6.843 11.623 1.00 1.00 H new ATOM 0 HD13 LEU A 45 5.442 -6.078 10.070 1.00 1.00 H new ATOM 0 HD21 LEU A 45 8.052 -6.934 8.742 1.00 1.00 H new ATOM 0 HD22 LEU A 45 7.435 -5.274 8.562 1.00 1.00 H new ATOM 0 HD23 LEU A 45 9.086 -5.550 9.169 1.00 1.00 H new ATOM 742 N SER A 46 6.847 -1.537 12.139 1.00 1.00 N ATOM 743 CA SER A 46 6.479 -0.610 13.187 1.00 1.00 C ATOM 744 C SER A 46 5.205 0.188 12.878 1.00 1.00 C ATOM 745 O SER A 46 4.529 0.633 13.807 1.00 1.00 O ATOM 746 CB SER A 46 7.689 0.263 13.506 1.00 1.00 C ATOM 747 OG SER A 46 8.215 0.992 12.409 1.00 1.00 O ATOM 0 H SER A 46 7.700 -1.297 11.633 1.00 1.00 H new ATOM 0 HA SER A 46 6.208 -1.173 14.080 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.412 0.968 14.290 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.477 -0.371 13.911 1.00 1.00 H new ATOM 0 HG SER A 46 7.623 0.890 11.635 1.00 1.00 H new ATOM 753 N MET A 47 4.876 0.400 11.605 1.00 1.00 N ATOM 754 CA MET A 47 3.692 1.143 11.205 1.00 1.00 C ATOM 755 C MET A 47 2.412 0.296 11.213 1.00 1.00 C ATOM 756 O MET A 47 2.415 -0.938 11.149 1.00 1.00 O ATOM 757 CB MET A 47 3.904 1.696 9.790 1.00 1.00 C ATOM 758 CG MET A 47 4.925 2.834 9.746 1.00 1.00 C ATOM 759 SD MET A 47 4.866 3.830 8.232 1.00 1.00 S ATOM 760 CE MET A 47 5.071 2.572 6.949 1.00 1.00 C ATOM 0 H MET A 47 5.430 0.057 10.820 1.00 1.00 H new ATOM 0 HA MET A 47 3.557 1.941 11.935 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.236 0.890 9.136 1.00 1.00 H new ATOM 0 HB3 MET A 47 2.952 2.053 9.398 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.761 3.487 10.603 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.925 2.414 9.852 1.00 1.00 H new ATOM 0 HE1 MET A 47 5.284 3.056 5.996 1.00 1.00 H new ATOM 0 HE2 MET A 47 5.898 1.913 7.214 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.155 1.988 6.862 1.00 1.00 H new ATOM 770 N ASP A 48 1.292 1.015 11.249 1.00 1.00 N ATOM 771 CA ASP A 48 -0.071 0.512 11.147 1.00 1.00 C ATOM 772 C ASP A 48 -0.639 1.012 9.824 1.00 1.00 C ATOM 773 O ASP A 48 0.102 1.435 8.934 1.00 1.00 O ATOM 774 CB ASP A 48 -0.962 0.907 12.326 1.00 1.00 C ATOM 775 CG ASP A 48 -1.505 2.334 12.251 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.709 3.297 12.328 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.735 2.462 12.058 1.00 1.00 O ATOM 0 H ASP A 48 1.317 2.029 11.357 1.00 1.00 H new ATOM 0 HA ASP A 48 -0.048 -0.577 11.179 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.801 0.213 12.381 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.394 0.794 13.250 1.00 1.00 H new ATOM 782 N ALA A 49 -1.954 0.932 9.689 1.00 1.00 N ATOM 783 CA ALA A 49 -2.666 1.428 8.518 1.00 1.00 C ATOM 784 C ALA A 49 -2.576 2.953 8.384 1.00 1.00 C ATOM 785 O ALA A 49 -2.362 3.452 7.277 1.00 1.00 O ATOM 786 CB ALA A 49 -4.127 0.964 8.567 1.00 1.00 C ATOM 0 H ALA A 49 -2.563 0.518 10.394 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.186 1.012 7.632 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.657 1.336 7.690 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.163 -0.125 8.577 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.602 1.351 9.469 1.00 1.00 H new ATOM 792 N LEU A 50 -2.740 3.702 9.478 1.00 1.00 N ATOM 793 CA LEU A 50 -2.727 5.162 9.452 1.00 1.00 C ATOM 794 C LEU A 50 -1.325 5.679 9.178 1.00 1.00 C ATOM 795 O LEU A 50 -1.137 6.467 8.247 1.00 1.00 O ATOM 796 CB LEU A 50 -3.267 5.719 10.772 1.00 1.00 C ATOM 797 CG LEU A 50 -3.335 7.258 10.799 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.247 7.830 9.706 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.868 7.694 12.161 1.00 1.00 C ATOM 0 H LEU A 50 -2.886 3.309 10.408 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.375 5.503 8.645 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.264 5.315 10.949 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.634 5.375 11.590 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.330 7.638 10.617 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.257 8.918 9.773 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.874 7.530 8.727 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.259 7.449 9.841 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.923 8.782 12.199 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.862 7.275 12.314 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.200 7.337 12.945 1.00 1.00 H new ATOM 811 N ASP A 51 -0.346 5.213 9.963 1.00 1.00 N ATOM 812 CA ASP A 51 1.047 5.561 9.711 1.00 1.00 C ATOM 813 C ASP A 51 1.457 5.192 8.311 1.00 1.00 C ATOM 814 O ASP A 51 2.139 6.000 7.682 1.00 1.00 O ATOM 815 CB ASP A 51 2.068 4.946 10.676 1.00 1.00 C ATOM 816 CG ASP A 51 2.268 5.651 12.007 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.510 6.579 12.360 1.00 1.00 O ATOM 818 OD2 ASP A 51 3.338 5.384 12.605 1.00 1.00 O ATOM 0 H ASP A 51 -0.495 4.602 10.766 1.00 1.00 H new ATOM 0 HA ASP A 51 1.068 6.640 9.867 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.767 3.918 10.879 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.031 4.902 10.168 1.00 1.00 H new ATOM 823 N LEU A 52 1.064 4.009 7.818 1.00 1.00 N ATOM 824 CA LEU A 52 1.355 3.688 6.440 1.00 1.00 C ATOM 825 C LEU A 52 0.748 4.757 5.562 1.00 1.00 C ATOM 826 O LEU A 52 1.515 5.345 4.829 1.00 1.00 O ATOM 827 CB LEU A 52 0.854 2.303 6.040 1.00 1.00 C ATOM 828 CG LEU A 52 0.877 2.091 4.499 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.885 1.040 4.027 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.549 1.813 4.028 1.00 1.00 C ATOM 0 H LEU A 52 0.563 3.291 8.341 1.00 1.00 H new ATOM 0 HA LEU A 52 2.437 3.662 6.311 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.472 1.543 6.519 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.163 2.166 6.409 1.00 1.00 H new ATOM 0 HG LEU A 52 1.240 3.007 4.032 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.838 0.953 2.942 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.890 1.340 4.324 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.646 0.077 4.479 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.553 1.662 2.949 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.927 0.918 4.521 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.186 2.661 4.278 1.00 1.00 H new ATOM 842 N THR A 53 -0.557 5.007 5.616 1.00 1.00 N ATOM 843 CA THR A 53 -1.235 5.935 4.728 1.00 1.00 C ATOM 844 C THR A 53 -0.456 7.240 4.594 1.00 1.00 C ATOM 845 O THR A 53 -0.091 7.614 3.477 1.00 1.00 O ATOM 846 CB THR A 53 -2.677 6.130 5.222 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.346 4.886 5.209 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.464 7.109 4.352 1.00 1.00 C ATOM 0 H THR A 53 -1.179 4.561 6.290 1.00 1.00 H new ATOM 0 HA THR A 53 -1.282 5.525 3.719 1.00 1.00 H new ATOM 0 HB THR A 53 -2.621 6.541 6.230 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.125 4.387 6.023 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.476 7.211 4.744 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.971 8.081 4.361 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.507 6.734 3.330 1.00 1.00 H new ATOM 856 N ASP A 54 -0.155 7.905 5.710 1.00 1.00 N ATOM 857 CA ASP A 54 0.630 9.137 5.632 1.00 1.00 C ATOM 858 C ASP A 54 2.048 8.939 5.113 1.00 1.00 C ATOM 859 O ASP A 54 2.468 9.709 4.251 1.00 1.00 O ATOM 860 CB ASP A 54 0.577 9.991 6.907 1.00 1.00 C ATOM 861 CG ASP A 54 -0.679 10.870 6.989 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.179 11.330 5.931 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.076 11.241 8.119 1.00 1.00 O ATOM 0 H ASP A 54 -0.432 7.623 6.650 1.00 1.00 H new ATOM 0 HA ASP A 54 0.122 9.724 4.866 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.613 9.336 7.778 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.462 10.626 6.949 1.00 1.00 H new ATOM 868 N LYS A 55 2.786 7.918 5.555 1.00 1.00 N ATOM 869 CA LYS A 55 4.158 7.681 5.091 1.00 1.00 C ATOM 870 C LYS A 55 4.139 7.415 3.581 1.00 1.00 C ATOM 871 O LYS A 55 4.880 8.023 2.816 1.00 1.00 O ATOM 872 CB LYS A 55 4.736 6.485 5.874 1.00 1.00 C ATOM 873 CG LYS A 55 6.265 6.379 5.934 1.00 1.00 C ATOM 874 CD LYS A 55 7.030 6.289 4.612 1.00 1.00 C ATOM 875 CE LYS A 55 8.447 5.747 4.861 1.00 1.00 C ATOM 876 NZ LYS A 55 9.278 6.600 5.728 1.00 1.00 N ATOM 0 H LYS A 55 2.455 7.237 6.238 1.00 1.00 H new ATOM 0 HA LYS A 55 4.790 8.551 5.269 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.357 6.531 6.895 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.348 5.568 5.431 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.639 7.246 6.478 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.516 5.499 6.526 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.499 5.637 3.919 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.085 7.273 4.146 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.371 4.757 5.310 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.950 5.624 3.902 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 10.227 6.183 5.819 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 9.355 7.549 5.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 8.840 6.671 6.668 1.00 1.00 H new ATOM 890 N LEU A 56 3.305 6.473 3.161 1.00 1.00 N ATOM 891 CA LEU A 56 3.121 5.927 1.826 1.00 1.00 C ATOM 892 C LEU A 56 2.628 6.995 0.859 1.00 1.00 C ATOM 893 O LEU A 56 2.933 6.901 -0.326 1.00 1.00 O ATOM 894 CB LEU A 56 2.153 4.735 1.980 1.00 1.00 C ATOM 895 CG LEU A 56 1.623 3.962 0.770 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.508 4.725 0.059 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.718 3.503 -0.186 1.00 1.00 C ATOM 0 H LEU A 56 2.672 6.024 3.823 1.00 1.00 H new ATOM 0 HA LEU A 56 4.058 5.581 1.391 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.648 4.009 2.625 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.283 5.104 2.523 1.00 1.00 H new ATOM 0 HG LEU A 56 1.187 3.044 1.164 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.157 4.145 -0.795 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.318 4.890 0.750 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.888 5.686 -0.287 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.270 2.962 -1.020 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.258 4.371 -0.565 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.410 2.847 0.342 1.00 1.00 H new ATOM 909 N VAL A 57 1.905 8.011 1.325 1.00 1.00 N ATOM 910 CA VAL A 57 1.491 9.120 0.480 1.00 1.00 C ATOM 911 C VAL A 57 2.562 10.215 0.491 1.00 1.00 C ATOM 912 O VAL A 57 3.050 10.587 -0.571 1.00 1.00 O ATOM 913 CB VAL A 57 0.096 9.592 0.925 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.252 10.969 0.363 1.00 1.00 C ATOM 915 CG2 VAL A 57 -0.945 8.559 0.464 1.00 1.00 C ATOM 0 H VAL A 57 1.593 8.085 2.293 1.00 1.00 H new ATOM 0 HA VAL A 57 1.399 8.812 -0.562 1.00 1.00 H new ATOM 0 HB VAL A 57 0.094 9.680 2.011 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.245 11.261 0.704 1.00 1.00 H new ATOM 0 HG12 VAL A 57 0.479 11.699 0.710 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.239 10.931 -0.726 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -1.939 8.881 0.773 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -0.914 8.471 -0.622 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -0.721 7.592 0.913 1.00 1.00 H new ATOM 925 N SER A 58 2.970 10.708 1.660 1.00 1.00 N ATOM 926 CA SER A 58 3.899 11.825 1.804 1.00 1.00 C ATOM 927 C SER A 58 5.250 11.561 1.126 1.00 1.00 C ATOM 928 O SER A 58 5.858 12.479 0.576 1.00 1.00 O ATOM 929 CB SER A 58 4.048 12.100 3.306 1.00 1.00 C ATOM 930 OG SER A 58 4.661 13.346 3.569 1.00 1.00 O ATOM 0 H SER A 58 2.655 10.331 2.554 1.00 1.00 H new ATOM 0 HA SER A 58 3.503 12.704 1.295 1.00 1.00 H new ATOM 0 HB2 SER A 58 3.065 12.076 3.776 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.638 11.305 3.761 1.00 1.00 H new ATOM 0 HG SER A 58 4.733 13.477 4.538 1.00 1.00 H new ATOM 936 N PHE A 59 5.736 10.320 1.184 1.00 1.00 N ATOM 937 CA PHE A 59 6.977 9.869 0.556 1.00 1.00 C ATOM 938 C PHE A 59 6.852 9.663 -0.960 1.00 1.00 C ATOM 939 O PHE A 59 7.848 9.348 -1.622 1.00 1.00 O ATOM 940 CB PHE A 59 7.388 8.593 1.285 1.00 1.00 C ATOM 941 CG PHE A 59 8.810 8.063 1.212 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.908 8.864 0.847 1.00 1.00 C ATOM 943 CD2 PHE A 59 9.035 6.734 1.616 1.00 1.00 C ATOM 944 CE1 PHE A 59 11.208 8.329 0.859 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.337 6.218 1.684 1.00 1.00 C ATOM 946 CZ PHE A 59 11.429 7.010 1.296 1.00 1.00 C ATOM 0 H PHE A 59 5.257 9.574 1.689 1.00 1.00 H new ATOM 0 HA PHE A 59 7.744 10.638 0.649 1.00 1.00 H new ATOM 0 HB2 PHE A 59 7.159 8.742 2.340 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.734 7.798 0.926 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.752 9.892 0.557 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.196 6.105 1.876 1.00 1.00 H new ATOM 0 HE1 PHE A 59 12.041 8.933 0.531 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.500 5.210 2.035 1.00 1.00 H new ATOM 0 HZ PHE A 59 12.431 6.610 1.333 1.00 1.00 H new ATOM 956 N TYR A 60 5.634 9.778 -1.493 1.00 1.00 N ATOM 957 CA TYR A 60 5.304 9.534 -2.891 1.00 1.00 C ATOM 958 C TYR A 60 4.511 10.721 -3.453 1.00 1.00 C ATOM 959 O TYR A 60 5.137 11.723 -3.786 1.00 1.00 O ATOM 960 CB TYR A 60 4.551 8.190 -2.983 1.00 1.00 C ATOM 961 CG TYR A 60 5.421 6.989 -2.650 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.697 6.659 -1.310 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.849 6.127 -3.671 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.426 5.508 -0.978 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.546 4.957 -3.344 1.00 1.00 C ATOM 966 CZ TYR A 60 6.866 4.651 -2.005 1.00 1.00 C ATOM 967 OH TYR A 60 7.617 3.556 -1.715 1.00 1.00 O ATOM 0 H TYR A 60 4.823 10.054 -0.939 1.00 1.00 H new ATOM 0 HA TYR A 60 6.201 9.453 -3.506 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.699 8.212 -2.304 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.153 8.073 -3.991 1.00 1.00 H new ATOM 0 HD1 TYR A 60 5.340 7.305 -0.522 1.00 1.00 H new ATOM 0 HD2 TYR A 60 5.642 6.365 -4.704 1.00 1.00 H new ATOM 0 HE1 TYR A 60 6.648 5.281 0.054 1.00 1.00 H new ATOM 0 HE2 TYR A 60 6.843 4.278 -4.130 1.00 1.00 H new ATOM 0 HH TYR A 60 8.333 3.465 -2.378 1.00 1.00 H new ATOM 977 N LEU A 61 3.180 10.637 -3.485 1.00 1.00 N ATOM 978 CA LEU A 61 2.129 11.592 -3.863 1.00 1.00 C ATOM 979 C LEU A 61 0.805 10.983 -3.378 1.00 1.00 C ATOM 980 O LEU A 61 0.763 9.798 -3.043 1.00 1.00 O ATOM 981 CB LEU A 61 2.003 11.861 -5.380 1.00 1.00 C ATOM 982 CG LEU A 61 2.933 12.859 -6.104 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.314 14.074 -5.248 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.129 12.210 -6.805 1.00 1.00 C ATOM 0 H LEU A 61 2.746 9.759 -3.202 1.00 1.00 H new ATOM 0 HA LEU A 61 2.380 12.553 -3.413 1.00 1.00 H new ATOM 0 HB2 LEU A 61 2.117 10.900 -5.882 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.981 12.194 -5.558 1.00 1.00 H new ATOM 0 HG LEU A 61 2.323 13.256 -6.915 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.968 14.732 -5.820 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.412 14.616 -4.964 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.833 13.738 -4.350 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.730 12.981 -7.288 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.738 11.682 -6.071 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.772 11.505 -7.556 1.00 1.00 H new ATOM 996 N GLU A 62 -0.290 11.750 -3.398 1.00 1.00 N ATOM 997 CA GLU A 62 -1.610 11.269 -2.989 1.00 1.00 C ATOM 998 C GLU A 62 -2.110 10.168 -3.937 1.00 1.00 C ATOM 999 O GLU A 62 -2.213 9.016 -3.514 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.618 12.420 -2.832 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.245 13.524 -1.829 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.150 14.491 -2.296 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.987 14.737 -3.516 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -0.455 15.059 -1.428 1.00 1.00 O ATOM 0 H GLU A 62 -0.284 12.724 -3.699 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.512 10.820 -2.000 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.765 12.881 -3.809 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.577 11.996 -2.533 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.141 14.100 -1.598 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.920 13.054 -0.901 1.00 1.00 H new ATOM 1011 N THR A 63 -2.394 10.479 -5.209 1.00 1.00 N ATOM 1012 CA THR A 63 -2.907 9.468 -6.138 1.00 1.00 C ATOM 1013 C THR A 63 -1.872 8.357 -6.356 1.00 1.00 C ATOM 1014 O THR A 63 -2.262 7.192 -6.413 1.00 1.00 O ATOM 1015 CB THR A 63 -3.357 10.092 -7.471 1.00 1.00 C ATOM 1016 OG1 THR A 63 -4.236 11.172 -7.253 1.00 1.00 O ATOM 1017 CG2 THR A 63 -4.127 9.103 -8.351 1.00 1.00 C ATOM 0 H THR A 63 -2.279 11.409 -5.612 1.00 1.00 H new ATOM 0 HA THR A 63 -3.792 9.020 -5.686 1.00 1.00 H new ATOM 0 HB THR A 63 -2.437 10.406 -7.963 1.00 1.00 H new ATOM 0 HG1 THR A 63 -4.506 11.553 -8.115 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.421 9.594 -9.279 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.491 8.247 -8.579 1.00 1.00 H new ATOM 0 HG23 THR A 63 -5.018 8.763 -7.823 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.568 8.673 -6.429 1.00 1.00 N ATOM 1026 CA TYR A 64 0.454 7.631 -6.530 1.00 1.00 C ATOM 1027 C TYR A 64 0.358 6.689 -5.331 1.00 1.00 C ATOM 1028 O TYR A 64 0.556 5.492 -5.493 1.00 1.00 O ATOM 1029 CB TYR A 64 1.884 8.184 -6.657 1.00 1.00 C ATOM 1030 CG TYR A 64 2.884 7.151 -7.169 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.350 6.119 -6.331 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.334 7.206 -8.504 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.202 5.119 -6.829 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.226 6.234 -9.000 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.639 5.169 -8.169 1.00 1.00 C ATOM 1036 OH TYR A 64 5.417 4.173 -8.675 1.00 1.00 O ATOM 0 H TYR A 64 -0.206 9.627 -6.420 1.00 1.00 H new ATOM 0 HA TYR A 64 0.253 7.087 -7.453 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.877 9.040 -7.332 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.214 8.548 -5.684 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.049 6.096 -5.294 1.00 1.00 H new ATOM 0 HD2 TYR A 64 2.992 8.000 -9.152 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.522 4.312 -6.186 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.593 6.303 -10.013 1.00 1.00 H new ATOM 0 HH TYR A 64 5.626 4.366 -9.613 1.00 1.00 H new ATOM 1046 N GLY A 65 0.017 7.193 -4.144 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.141 6.359 -2.973 1.00 1.00 C ATOM 1048 C GLY A 65 -1.231 5.299 -3.191 1.00 1.00 C ATOM 1049 O GLY A 65 -1.035 4.114 -2.906 1.00 1.00 O ATOM 0 H GLY A 65 -0.154 8.185 -3.978 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.805 5.870 -2.741 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.399 6.978 -2.114 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.388 5.711 -3.720 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.496 4.805 -4.016 1.00 1.00 C ATOM 1055 C ALA A 66 -3.139 3.845 -5.147 1.00 1.00 C ATOM 1056 O ALA A 66 -3.492 2.666 -5.082 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.746 5.610 -4.369 1.00 1.00 C ATOM 0 H ALA A 66 -2.580 6.685 -3.954 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.697 4.207 -3.127 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.568 4.928 -4.588 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -5.018 6.247 -3.528 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.545 6.229 -5.243 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.438 4.346 -6.166 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.921 3.561 -7.279 1.00 1.00 C ATOM 1065 C GLU A 67 -1.060 2.447 -6.712 1.00 1.00 C ATOM 1066 O GLU A 67 -1.402 1.282 -6.895 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.123 4.436 -8.265 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.405 3.633 -9.367 1.00 1.00 C ATOM 1069 CD GLU A 67 -1.322 2.688 -10.146 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -2.500 3.036 -10.391 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -0.874 1.580 -10.521 1.00 1.00 O ATOM 0 H GLU A 67 -2.210 5.338 -6.238 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.751 3.137 -7.845 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.800 5.151 -8.732 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.384 5.013 -7.709 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.060 4.329 -10.065 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.398 3.052 -8.914 1.00 1.00 H new ATOM 1078 N LEU A 68 0.019 2.813 -6.009 1.00 1.00 N ATOM 1079 CA LEU A 68 0.964 1.911 -5.373 1.00 1.00 C ATOM 1080 C LEU A 68 0.196 0.874 -4.586 1.00 1.00 C ATOM 1081 O LEU A 68 0.455 -0.308 -4.776 1.00 1.00 O ATOM 1082 CB LEU A 68 1.969 2.670 -4.482 1.00 1.00 C ATOM 1083 CG LEU A 68 2.931 1.702 -3.756 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.228 2.380 -3.303 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.298 1.042 -2.524 1.00 1.00 C ATOM 0 H LEU A 68 0.261 3.794 -5.867 1.00 1.00 H new ATOM 0 HA LEU A 68 1.555 1.414 -6.142 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.545 3.365 -5.093 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.427 3.265 -3.747 1.00 1.00 H new ATOM 0 HG LEU A 68 3.155 0.942 -4.505 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.863 1.651 -2.800 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.752 2.780 -4.171 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.993 3.192 -2.615 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.022 0.374 -2.057 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.002 1.811 -1.811 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.420 0.471 -2.828 1.00 1.00 H new ATOM 1097 N THR A 69 -0.714 1.301 -3.712 1.00 1.00 N ATOM 1098 CA THR A 69 -1.429 0.383 -2.848 1.00 1.00 C ATOM 1099 C THR A 69 -2.138 -0.651 -3.720 1.00 1.00 C ATOM 1100 O THR A 69 -1.814 -1.826 -3.599 1.00 1.00 O ATOM 1101 CB THR A 69 -2.341 1.140 -1.875 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.575 2.081 -1.168 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.965 0.223 -0.822 1.00 1.00 C ATOM 0 H THR A 69 -0.969 2.281 -3.589 1.00 1.00 H new ATOM 0 HA THR A 69 -0.742 -0.163 -2.201 1.00 1.00 H new ATOM 0 HB THR A 69 -3.129 1.595 -2.475 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.463 2.888 -1.713 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.601 0.810 -0.159 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.564 -0.543 -1.315 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.176 -0.253 -0.240 1.00 1.00 H new ATOM 1111 N ALA A 70 -3.005 -0.258 -4.658 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.707 -1.214 -5.516 1.00 1.00 C ATOM 1113 C ALA A 70 -2.730 -2.098 -6.314 1.00 1.00 C ATOM 1114 O ALA A 70 -3.012 -3.270 -6.544 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.603 -0.443 -6.498 1.00 1.00 C ATOM 0 H ALA A 70 -3.237 0.718 -4.842 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.302 -1.865 -4.876 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.129 -1.148 -7.141 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.328 0.150 -5.940 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.988 0.217 -7.110 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.583 -1.552 -6.723 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.580 -2.191 -7.578 1.00 1.00 C ATOM 1123 C ASN A 71 0.154 -3.300 -6.821 1.00 1.00 C ATOM 1124 O ASN A 71 0.317 -4.423 -7.301 1.00 1.00 O ATOM 1125 CB ASN A 71 0.421 -1.109 -8.016 1.00 1.00 C ATOM 1126 CG ASN A 71 1.186 -1.466 -9.270 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.910 -2.453 -9.303 1.00 1.00 O ATOM 1128 ND2 ASN A 71 1.068 -0.661 -10.313 1.00 1.00 N ATOM 0 H ASN A 71 -1.315 -0.605 -6.454 1.00 1.00 H new ATOM 0 HA ASN A 71 -1.066 -2.643 -8.443 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -0.116 -0.175 -8.181 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.129 -0.931 -7.206 1.00 1.00 H new ATOM 0 HD21 ASN A 71 1.587 -0.856 -11.169 1.00 1.00 H new ATOM 0 HD22 ASN A 71 0.458 0.155 -10.261 1.00 1.00 H new ATOM 1135 N VAL A 72 0.605 -2.973 -5.615 1.00 1.00 N ATOM 1136 CA VAL A 72 1.257 -3.886 -4.680 1.00 1.00 C ATOM 1137 C VAL A 72 0.230 -4.899 -4.148 1.00 1.00 C ATOM 1138 O VAL A 72 0.555 -6.074 -3.992 1.00 1.00 O ATOM 1139 CB VAL A 72 1.953 -3.073 -3.568 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.608 -3.971 -2.515 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.069 -2.185 -4.151 1.00 1.00 C ATOM 0 H VAL A 72 0.523 -2.026 -5.246 1.00 1.00 H new ATOM 0 HA VAL A 72 2.035 -4.464 -5.180 1.00 1.00 H new ATOM 0 HB VAL A 72 1.168 -2.472 -3.108 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.084 -3.352 -1.754 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.849 -4.599 -2.049 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.358 -4.602 -2.991 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.544 -1.622 -3.347 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.813 -2.812 -4.644 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.641 -1.492 -4.875 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.012 -4.479 -3.893 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.104 -5.365 -3.495 1.00 1.00 C ATOM 1153 C LEU A 73 -2.299 -6.392 -4.618 1.00 1.00 C ATOM 1154 O LEU A 73 -2.354 -7.595 -4.366 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.368 -4.531 -3.200 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.368 -3.813 -1.828 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.644 -2.977 -1.694 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.180 -4.722 -0.615 1.00 1.00 C ATOM 0 H LEU A 73 -1.289 -3.500 -3.959 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.879 -5.905 -2.575 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.484 -3.784 -3.985 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.238 -5.186 -3.251 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.484 -3.175 -1.823 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.647 -2.470 -0.729 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.679 -2.236 -2.493 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.515 -3.629 -1.764 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.195 -4.122 0.295 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -3.987 -5.454 -0.580 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.224 -5.239 -0.693 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.325 -5.944 -5.872 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.385 -6.820 -7.038 1.00 1.00 C ATOM 1172 C ARG A 74 -1.191 -7.768 -7.067 1.00 1.00 C ATOM 1173 O ARG A 74 -1.381 -8.945 -7.364 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.531 -5.964 -8.302 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.466 -6.790 -9.591 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.956 -5.954 -10.777 1.00 1.00 C ATOM 1177 NE ARG A 74 -1.896 -5.574 -11.711 1.00 1.00 N ATOM 1178 CZ ARG A 74 -2.131 -5.054 -12.919 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -3.355 -4.652 -13.260 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -1.136 -4.967 -13.788 1.00 1.00 N ATOM 0 H ARG A 74 -2.305 -4.952 -6.108 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.262 -7.465 -6.985 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.481 -5.430 -8.266 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.743 -5.211 -8.318 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -1.443 -7.122 -9.768 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.079 -7.686 -9.490 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -3.718 -6.517 -11.316 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.435 -5.051 -10.399 1.00 1.00 H new ATOM 0 HE ARG A 74 -0.927 -5.713 -11.425 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -4.124 -4.740 -12.596 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -3.523 -4.256 -14.185 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.205 -5.295 -13.532 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -1.301 -4.572 -14.714 1.00 1.00 H new ATOM 1194 N ASP A 75 0.014 -7.315 -6.719 1.00 1.00 N ATOM 1195 CA ASP A 75 1.191 -8.183 -6.617 1.00 1.00 C ATOM 1196 C ASP A 75 0.992 -9.254 -5.525 1.00 1.00 C ATOM 1197 O ASP A 75 1.467 -10.386 -5.657 1.00 1.00 O ATOM 1198 CB ASP A 75 2.443 -7.321 -6.409 1.00 1.00 C ATOM 1199 CG ASP A 75 3.767 -8.075 -6.543 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.797 -9.243 -6.991 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.815 -7.471 -6.224 1.00 1.00 O ATOM 0 H ASP A 75 0.203 -6.337 -6.500 1.00 1.00 H new ATOM 0 HA ASP A 75 1.330 -8.735 -7.547 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.430 -6.505 -7.132 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.396 -6.869 -5.418 1.00 1.00 H new ATOM 1206 N MET A 76 0.259 -8.950 -4.442 1.00 1.00 N ATOM 1207 CA MET A 76 -0.082 -9.947 -3.417 1.00 1.00 C ATOM 1208 C MET A 76 -1.045 -10.991 -3.992 1.00 1.00 C ATOM 1209 O MET A 76 -1.020 -12.151 -3.577 1.00 1.00 O ATOM 1210 CB MET A 76 -0.739 -9.333 -2.171 1.00 1.00 C ATOM 1211 CG MET A 76 0.141 -8.368 -1.383 1.00 1.00 C ATOM 1212 SD MET A 76 -0.799 -7.377 -0.201 1.00 1.00 S ATOM 1213 CE MET A 76 -1.364 -8.651 0.956 1.00 1.00 C ATOM 0 H MET A 76 -0.110 -8.018 -4.254 1.00 1.00 H new ATOM 0 HA MET A 76 0.862 -10.401 -3.117 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.643 -8.807 -2.478 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.050 -10.141 -1.508 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.906 -8.933 -0.850 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.659 -7.705 -2.077 1.00 1.00 H new ATOM 0 HE1 MET A 76 -2.003 -8.197 1.713 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.927 -9.411 0.414 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.502 -9.113 1.438 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.854 -10.585 -4.965 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.884 -11.370 -5.636 1.00 1.00 C ATOM 1225 C GLY A 77 -4.280 -10.762 -5.486 1.00 1.00 C ATOM 1226 O GLY A 77 -5.248 -11.337 -5.983 1.00 1.00 O ATOM 0 H GLY A 77 -1.804 -9.634 -5.330 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.640 -11.453 -6.695 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.887 -12.381 -5.230 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.414 -9.626 -4.800 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.681 -8.978 -4.495 1.00 1.00 C ATOM 1232 C LEU A 78 -6.110 -8.134 -5.700 1.00 1.00 C ATOM 1233 O LEU A 78 -5.412 -7.197 -6.081 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.463 -8.152 -3.217 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.703 -7.465 -2.624 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.305 -6.763 -1.325 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.267 -6.386 -3.549 1.00 1.00 C ATOM 0 H LEU A 78 -3.611 -9.117 -4.430 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.489 -9.687 -4.314 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.039 -8.807 -2.456 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.717 -7.386 -3.429 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.456 -8.238 -2.472 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -7.178 -6.272 -0.895 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.917 -7.497 -0.619 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.536 -6.019 -1.534 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.142 -5.930 -3.085 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.509 -5.622 -3.722 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.553 -6.835 -4.500 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.272 -8.425 -6.282 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.846 -7.698 -7.411 1.00 1.00 C ATOM 1251 C GLN A 79 -9.150 -6.974 -7.056 1.00 1.00 C ATOM 1252 O GLN A 79 -9.407 -5.887 -7.579 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.034 -8.651 -8.606 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.911 -9.883 -8.318 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.292 -10.645 -9.580 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -10.404 -10.500 -10.089 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -8.406 -11.475 -10.103 1.00 1.00 N ATOM 0 H GLN A 79 -7.859 -9.199 -5.970 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.141 -6.914 -7.689 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.476 -8.093 -9.432 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.053 -8.991 -8.940 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.379 -10.552 -7.642 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.818 -9.565 -7.803 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -7.490 -11.583 -9.668 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -8.639 -12.008 -10.941 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.953 -7.541 -6.152 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.276 -7.044 -5.787 1.00 1.00 C ATOM 1268 C GLU A 80 -11.189 -5.654 -5.137 1.00 1.00 C ATOM 1269 O GLU A 80 -11.584 -4.650 -5.743 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.991 -8.125 -4.955 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.356 -8.475 -3.600 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.672 -9.911 -3.189 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.817 -10.191 -2.770 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.759 -10.760 -3.283 1.00 1.00 O ATOM 0 H GLU A 80 -9.690 -8.383 -5.640 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.893 -6.873 -6.669 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.016 -7.798 -4.778 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.046 -9.035 -5.552 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.276 -8.341 -3.658 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.722 -7.788 -2.837 1.00 1.00 H new ATOM 1281 N MET A 81 -10.580 -5.577 -3.952 1.00 1.00 N ATOM 1282 CA MET A 81 -10.314 -4.336 -3.242 1.00 1.00 C ATOM 1283 C MET A 81 -9.387 -3.434 -4.050 1.00 1.00 C ATOM 1284 O MET A 81 -9.570 -2.236 -3.964 1.00 1.00 O ATOM 1285 CB MET A 81 -9.946 -4.632 -1.776 1.00 1.00 C ATOM 1286 CG MET A 81 -9.172 -3.512 -1.078 1.00 1.00 C ATOM 1287 SD MET A 81 -9.576 -3.328 0.675 1.00 1.00 S ATOM 1288 CE MET A 81 -8.668 -4.715 1.385 1.00 1.00 C ATOM 0 H MET A 81 -10.251 -6.402 -3.451 1.00 1.00 H new ATOM 0 HA MET A 81 -11.211 -3.723 -3.153 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.861 -4.827 -1.217 1.00 1.00 H new ATOM 0 HB3 MET A 81 -9.351 -5.544 -1.741 1.00 1.00 H new ATOM 0 HG2 MET A 81 -8.104 -3.705 -1.177 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.374 -2.570 -1.589 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.819 -4.735 2.464 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.030 -5.647 0.951 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.605 -4.603 1.170 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.481 -3.930 -4.897 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.667 -3.067 -5.759 1.00 1.00 C ATOM 1300 C ALA A 82 -8.578 -2.242 -6.688 1.00 1.00 C ATOM 1301 O ALA A 82 -8.399 -1.028 -6.816 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.654 -3.899 -6.556 1.00 1.00 C ATOM 0 H ALA A 82 -8.292 -4.927 -5.005 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.101 -2.374 -5.137 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.060 -3.240 -7.189 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.997 -4.430 -5.867 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.185 -4.619 -7.179 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.587 -2.880 -7.289 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.568 -2.173 -8.103 1.00 1.00 C ATOM 1310 C GLY A 83 -11.408 -1.208 -7.262 1.00 1.00 C ATOM 1311 O GLY A 83 -11.679 -0.085 -7.715 1.00 1.00 O ATOM 0 H GLY A 83 -9.742 -3.886 -7.224 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.057 -1.620 -8.891 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.222 -2.894 -8.593 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.818 -1.619 -6.051 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.538 -0.714 -5.148 1.00 1.00 C ATOM 1317 C GLN A 84 -11.669 0.495 -4.812 1.00 1.00 C ATOM 1318 O GLN A 84 -12.168 1.606 -4.775 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.980 -1.379 -3.833 1.00 1.00 C ATOM 1320 CG GLN A 84 -13.944 -2.552 -4.023 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.780 -2.817 -2.768 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.267 -2.958 -1.657 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.092 -2.882 -2.911 1.00 1.00 N ATOM 0 H GLN A 84 -11.665 -2.557 -5.681 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.439 -0.414 -5.684 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.096 -1.731 -3.301 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.456 -0.630 -3.201 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.607 -2.344 -4.863 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -13.378 -3.448 -4.278 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.511 -2.764 -3.834 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.686 -3.050 -2.099 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.372 0.295 -4.601 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.395 1.289 -4.188 1.00 1.00 C ATOM 1334 C LEU A 85 -9.260 2.367 -5.250 1.00 1.00 C ATOM 1335 O LEU A 85 -9.286 3.564 -4.940 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.064 0.555 -3.971 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.029 1.251 -3.100 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.615 1.549 -1.735 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.913 0.243 -2.856 1.00 1.00 C ATOM 0 H LEU A 85 -9.951 -0.626 -4.723 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.705 1.784 -3.268 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.281 -0.417 -3.529 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.616 0.369 -4.947 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.696 2.168 -3.586 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.867 2.047 -1.119 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.484 2.198 -1.846 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.916 0.617 -1.257 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -5.142 0.697 -2.233 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -6.318 -0.634 -2.351 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.478 -0.057 -3.810 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.130 1.929 -6.507 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.100 2.823 -7.650 1.00 1.00 C ATOM 1353 C GLN A 86 -10.385 3.654 -7.625 1.00 1.00 C ATOM 1354 O GLN A 86 -10.302 4.878 -7.543 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.895 2.007 -8.943 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.422 2.837 -10.148 1.00 1.00 C ATOM 1357 CD GLN A 86 -9.536 3.618 -10.843 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -10.127 3.131 -11.803 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -9.808 4.840 -10.423 1.00 1.00 N ATOM 0 H GLN A 86 -9.043 0.943 -6.752 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.261 3.517 -7.610 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -8.166 1.220 -8.750 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.833 1.516 -9.201 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -7.655 3.537 -9.815 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.953 2.171 -10.873 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -9.307 5.228 -9.624 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -10.519 5.396 -10.898 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.555 3.002 -7.625 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.847 3.684 -7.650 1.00 1.00 C ATOM 1370 C ALA A 87 -13.035 4.644 -6.462 1.00 1.00 C ATOM 1371 O ALA A 87 -13.557 5.753 -6.612 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.955 2.629 -7.676 1.00 1.00 C ATOM 0 H ALA A 87 -11.628 1.985 -7.608 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.891 4.302 -8.547 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.927 3.122 -7.695 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.846 2.008 -8.565 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.883 2.004 -6.786 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.629 4.231 -5.266 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.707 5.003 -4.039 1.00 1.00 C ATOM 1380 C ALA A 88 -11.829 6.247 -4.135 1.00 1.00 C ATOM 1381 O ALA A 88 -12.197 7.285 -3.588 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.286 4.127 -2.858 1.00 1.00 C ATOM 0 H ALA A 88 -12.219 3.308 -5.123 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.735 5.332 -3.885 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.344 4.706 -1.936 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.951 3.266 -2.788 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.262 3.784 -3.006 1.00 1.00 H new ATOM 1388 N THR A 89 -10.702 6.174 -4.845 1.00 1.00 N ATOM 1389 CA THR A 89 -9.870 7.348 -5.065 1.00 1.00 C ATOM 1390 C THR A 89 -10.413 8.248 -6.180 1.00 1.00 C ATOM 1391 O THR A 89 -10.264 9.470 -6.116 1.00 1.00 O ATOM 1392 CB THR A 89 -8.412 6.915 -5.305 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.015 5.979 -4.318 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.455 8.111 -5.225 1.00 1.00 C ATOM 0 H THR A 89 -10.350 5.318 -5.273 1.00 1.00 H new ATOM 0 HA THR A 89 -9.896 7.963 -4.165 1.00 1.00 H new ATOM 0 HB THR A 89 -8.365 6.474 -6.301 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.428 5.110 -4.506 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.434 7.772 -5.399 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.727 8.846 -5.982 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.523 8.566 -4.237 1.00 1.00 H new ATOM 1402 N HIS A 90 -11.059 7.655 -7.181 1.00 1.00 N ATOM 1403 CA HIS A 90 -11.549 8.314 -8.377 1.00 1.00 C ATOM 1404 C HIS A 90 -12.526 7.413 -9.147 1.00 1.00 C ATOM 1405 O HIS A 90 -12.126 6.390 -9.712 1.00 1.00 O ATOM 1406 CB HIS A 90 -10.333 8.645 -9.250 1.00 1.00 C ATOM 1407 CG HIS A 90 -10.690 9.189 -10.601 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -10.994 10.496 -10.896 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -10.736 8.469 -11.762 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -11.185 10.577 -12.219 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -11.016 9.371 -12.791 1.00 1.00 N ATOM 0 H HIS A 90 -11.262 6.655 -7.175 1.00 1.00 H new ATOM 0 HA HIS A 90 -12.092 9.219 -8.107 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -9.710 9.372 -8.729 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -9.733 7.744 -9.378 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -10.585 7.405 -11.864 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -11.439 11.482 -12.751 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -11.080 9.156 -13.786 1.00 1.00 H new ATOM 1419 N GLN A 91 -13.797 7.807 -9.188 1.00 1.00 N ATOM 1420 CA GLN A 91 -14.874 7.174 -9.947 1.00 1.00 C ATOM 1421 C GLN A 91 -15.701 8.263 -10.611 1.00 1.00 C ATOM 1422 O GLN A 91 -16.034 9.263 -9.940 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.730 6.291 -9.024 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.884 5.591 -9.757 1.00 1.00 C ATOM 1425 CD GLN A 91 -17.708 4.685 -8.840 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -17.206 4.098 -7.882 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -18.977 4.475 -9.136 1.00 1.00 N ATOM 1428 OXT GLN A 91 -16.067 8.111 -11.794 1.00 1.00 O ATOM 0 H GLN A 91 -14.121 8.620 -8.664 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.463 6.524 -10.719 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.093 5.538 -8.559 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -16.137 6.904 -8.220 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -17.537 6.344 -10.198 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.480 4.998 -10.578 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -19.402 4.957 -9.928 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -19.532 3.831 -8.573 1.00 1.00 H new TER 1437 GLN A 91