USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 -168:sc= -0.0155 (180deg=-0.0486) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.557 K(o=-0.56,f=-1.4) USER MOD Single : A 7 GLN : amide:sc= -1.97 K(o=-2,f=-5.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.19 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.159) USER MOD Single : A 28 MET CE :methyl 162:sc= 0 (180deg=-0.641) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 177:sc= 0.0422 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 -125:sc= -4.32 (180deg=-6.63!) USER MOD Single : A 48 MET CE :methyl -160:sc= -0.033 (180deg=-0.387) USER MOD Single : A 51 GLN : amide:sc= -5.71 K(o=-5.7,f=-11!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.000402) USER MOD Single : A 72 THR OG1 : rot -169:sc= 0.58 USER MOD Single : A 81 MET CE :methyl -116:sc= -0.389 (180deg=-4.43!) USER MOD Single : A 82 MET CE :methyl 157:sc= -8.88! (180deg=-13.1!) USER MOD Single : A 85 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1.2) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0848) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.527 -5.989 -11.238 1.00 0.00 N ATOM 25 CA MET A 3 64.485 -5.118 -10.031 1.00 0.00 C ATOM 26 C MET A 3 63.217 -4.261 -10.039 1.00 0.00 C ATOM 27 O MET A 3 62.582 -4.065 -9.022 1.00 0.00 O ATOM 28 CB MET A 3 65.730 -4.238 -10.141 1.00 0.00 C ATOM 29 CG MET A 3 66.837 -4.798 -9.245 1.00 0.00 C ATOM 30 SD MET A 3 67.046 -6.567 -9.570 1.00 0.00 S ATOM 31 CE MET A 3 66.709 -7.147 -7.889 1.00 0.00 C ATOM 0 HA MET A 3 64.470 -5.693 -9.105 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.070 -4.200 -11.176 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.492 -3.216 -9.846 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.772 -4.271 -9.433 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.586 -4.638 -8.196 1.00 0.00 H new ATOM 0 HE1 MET A 3 66.990 -8.197 -7.803 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.288 -6.557 -7.178 1.00 0.00 H new ATOM 0 HE3 MET A 3 65.647 -7.037 -7.672 1.00 0.00 H new ATOM 41 N THR A 4 62.843 -3.749 -11.180 1.00 0.00 N ATOM 42 CA THR A 4 61.615 -2.905 -11.252 1.00 0.00 C ATOM 43 C THR A 4 60.417 -3.665 -10.676 1.00 0.00 C ATOM 44 O THR A 4 59.435 -3.078 -10.269 1.00 0.00 O ATOM 45 CB THR A 4 61.410 -2.632 -12.743 1.00 0.00 C ATOM 46 OG1 THR A 4 60.391 -1.654 -12.906 1.00 0.00 O ATOM 47 CG2 THR A 4 60.996 -3.925 -13.448 1.00 0.00 C ATOM 0 H THR A 4 63.334 -3.878 -12.065 1.00 0.00 H new ATOM 0 HA THR A 4 61.712 -1.983 -10.678 1.00 0.00 H new ATOM 0 HB THR A 4 62.340 -2.266 -13.178 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.258 -1.476 -13.860 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.850 -3.730 -14.510 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.777 -4.675 -13.321 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.066 -4.293 -13.016 1.00 0.00 H new ATOM 55 N ASP A 5 60.491 -4.968 -10.641 1.00 0.00 N ATOM 56 CA ASP A 5 59.356 -5.765 -10.093 1.00 0.00 C ATOM 57 C ASP A 5 59.477 -5.879 -8.571 1.00 0.00 C ATOM 58 O ASP A 5 58.517 -5.700 -7.848 1.00 0.00 O ATOM 59 CB ASP A 5 59.488 -7.140 -10.747 1.00 0.00 C ATOM 60 CG ASP A 5 58.399 -8.070 -10.208 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.586 -8.603 -9.126 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.399 -8.234 -10.885 1.00 0.00 O ATOM 0 H ASP A 5 61.288 -5.515 -10.968 1.00 0.00 H new ATOM 0 HA ASP A 5 58.389 -5.306 -10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.400 -7.049 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.473 -7.559 -10.541 1.00 0.00 H new ATOM 67 N GLN A 6 60.648 -6.175 -8.080 1.00 0.00 N ATOM 68 CA GLN A 6 60.829 -6.300 -6.605 1.00 0.00 C ATOM 69 C GLN A 6 60.638 -4.938 -5.934 1.00 0.00 C ATOM 70 O GLN A 6 60.541 -4.838 -4.727 1.00 0.00 O ATOM 71 CB GLN A 6 62.265 -6.792 -6.421 1.00 0.00 C ATOM 72 CG GLN A 6 62.255 -8.291 -6.114 1.00 0.00 C ATOM 73 CD GLN A 6 61.364 -8.556 -4.899 1.00 0.00 C ATOM 74 OE1 GLN A 6 61.293 -7.748 -3.994 1.00 0.00 O ATOM 75 NE2 GLN A 6 60.674 -9.663 -4.841 1.00 0.00 N ATOM 0 H GLN A 6 61.488 -6.336 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 6 60.106 -6.981 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.845 -6.599 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.746 -6.247 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.888 -8.847 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.269 -8.640 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.733 -10.341 -5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 6 60.076 -9.849 -4.036 1.00 0.00 H new ATOM 84 N GLN A 7 60.583 -3.889 -6.707 1.00 0.00 N ATOM 85 CA GLN A 7 60.398 -2.534 -6.112 1.00 0.00 C ATOM 86 C GLN A 7 58.980 -2.389 -5.554 1.00 0.00 C ATOM 87 O GLN A 7 58.720 -1.560 -4.705 1.00 0.00 O ATOM 88 CB GLN A 7 60.619 -1.561 -7.270 1.00 0.00 C ATOM 89 CG GLN A 7 60.805 -0.145 -6.720 1.00 0.00 C ATOM 90 CD GLN A 7 59.934 0.830 -7.514 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.461 1.813 -6.979 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.701 0.599 -8.776 1.00 0.00 N ATOM 0 H GLN A 7 60.658 -3.910 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 7 61.084 -2.349 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.496 -1.857 -7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.768 -1.589 -7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.534 -0.115 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.853 0.148 -6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.098 -0.226 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.122 1.244 -9.314 1.00 0.00 H new ATOM 101 N ALA A 8 58.062 -3.188 -6.024 1.00 0.00 N ATOM 102 CA ALA A 8 56.662 -3.092 -5.518 1.00 0.00 C ATOM 103 C ALA A 8 56.526 -3.836 -4.186 1.00 0.00 C ATOM 104 O ALA A 8 56.350 -3.236 -3.145 1.00 0.00 O ATOM 105 CB ALA A 8 55.806 -3.760 -6.595 1.00 0.00 C ATOM 0 H ALA A 8 58.219 -3.902 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 8 56.359 -2.061 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.758 -3.730 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.930 -3.230 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.119 -4.797 -6.718 1.00 0.00 H new ATOM 111 N GLU A 9 56.606 -5.138 -4.212 1.00 0.00 N ATOM 112 CA GLU A 9 56.481 -5.917 -2.946 1.00 0.00 C ATOM 113 C GLU A 9 57.466 -5.386 -1.902 1.00 0.00 C ATOM 114 O GLU A 9 57.202 -5.412 -0.715 1.00 0.00 O ATOM 115 CB GLU A 9 56.829 -7.355 -3.329 1.00 0.00 C ATOM 116 CG GLU A 9 56.508 -8.287 -2.157 1.00 0.00 C ATOM 117 CD GLU A 9 55.739 -9.505 -2.669 1.00 0.00 C ATOM 118 OE1 GLU A 9 54.881 -9.326 -3.518 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.020 -10.597 -2.202 1.00 0.00 O ATOM 0 H GLU A 9 56.752 -5.696 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 9 55.484 -5.842 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.264 -7.655 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.885 -7.428 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.429 -8.604 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.917 -7.758 -1.410 1.00 0.00 H new ATOM 126 N ALA A 10 58.599 -4.905 -2.333 1.00 0.00 N ATOM 127 CA ALA A 10 59.602 -4.372 -1.366 1.00 0.00 C ATOM 128 C ALA A 10 58.973 -3.277 -0.500 1.00 0.00 C ATOM 129 O ALA A 10 58.780 -3.444 0.687 1.00 0.00 O ATOM 130 CB ALA A 10 60.718 -3.793 -2.234 1.00 0.00 C ATOM 0 H ALA A 10 58.875 -4.858 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 10 59.970 -5.141 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.498 -3.379 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.140 -4.581 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.313 -3.005 -2.869 1.00 0.00 H new ATOM 136 N ARG A 11 58.653 -2.156 -1.088 1.00 0.00 N ATOM 137 CA ARG A 11 58.038 -1.049 -0.300 1.00 0.00 C ATOM 138 C ARG A 11 56.673 -1.480 0.246 1.00 0.00 C ATOM 139 O ARG A 11 56.207 -0.972 1.246 1.00 0.00 O ATOM 140 CB ARG A 11 57.879 0.102 -1.293 1.00 0.00 C ATOM 141 CG ARG A 11 56.770 -0.233 -2.292 1.00 0.00 C ATOM 142 CD ARG A 11 57.183 0.233 -3.690 1.00 0.00 C ATOM 143 NE ARG A 11 56.443 1.507 -3.905 1.00 0.00 N ATOM 144 CZ ARG A 11 55.528 1.581 -4.833 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.346 1.067 -4.624 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.792 2.167 -5.968 1.00 0.00 N ATOM 0 H ARG A 11 58.791 -1.959 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 11 58.647 -0.766 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.638 1.023 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.818 0.274 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.582 -1.307 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 11 55.840 0.252 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.260 0.387 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.922 -0.508 -4.446 1.00 0.00 H new ATOM 0 HE ARG A 11 56.651 2.322 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.139 0.609 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.630 1.124 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.715 2.569 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.075 2.224 -6.692 1.00 0.00 H new ATOM 160 N ALA A 12 56.032 -2.413 -0.403 1.00 0.00 N ATOM 161 CA ALA A 12 54.699 -2.875 0.082 1.00 0.00 C ATOM 162 C ALA A 12 54.869 -3.922 1.185 1.00 0.00 C ATOM 163 O ALA A 12 53.909 -4.463 1.694 1.00 0.00 O ATOM 164 CB ALA A 12 54.023 -3.490 -1.144 1.00 0.00 C ATOM 0 H ALA A 12 56.372 -2.875 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 12 54.110 -2.062 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 12 53.033 -3.855 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.927 -2.735 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.626 -4.319 -1.514 1.00 0.00 H new ATOM 170 N PHE A 13 56.086 -4.211 1.557 1.00 0.00 N ATOM 171 CA PHE A 13 56.317 -5.223 2.627 1.00 0.00 C ATOM 172 C PHE A 13 55.800 -4.697 3.970 1.00 0.00 C ATOM 173 O PHE A 13 55.247 -5.432 4.764 1.00 0.00 O ATOM 174 CB PHE A 13 57.838 -5.410 2.668 1.00 0.00 C ATOM 175 CG PHE A 13 58.239 -6.050 3.976 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.611 -7.226 4.403 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.240 -5.466 4.762 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.982 -7.817 5.617 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.612 -6.058 5.976 1.00 0.00 C ATOM 180 CZ PHE A 13 58.983 -7.233 6.403 1.00 0.00 C ATOM 0 H PHE A 13 56.930 -3.791 1.167 1.00 0.00 H new ATOM 0 HA PHE A 13 55.796 -6.161 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.160 -6.033 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.335 -4.447 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.840 -7.678 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.725 -4.559 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.496 -8.723 5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.384 -5.608 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.270 -7.689 7.339 1.00 0.00 H new ATOM 190 N LEU A 14 55.977 -3.431 4.230 1.00 0.00 N ATOM 191 CA LEU A 14 55.497 -2.861 5.522 1.00 0.00 C ATOM 192 C LEU A 14 54.317 -1.918 5.281 1.00 0.00 C ATOM 193 O LEU A 14 53.937 -1.656 4.157 1.00 0.00 O ATOM 194 CB LEU A 14 56.695 -2.093 6.081 1.00 0.00 C ATOM 195 CG LEU A 14 57.931 -2.993 6.062 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.185 -2.144 6.279 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.821 -4.032 7.181 1.00 0.00 C ATOM 0 H LEU A 14 56.433 -2.766 3.605 1.00 0.00 H new ATOM 0 HA LEU A 14 55.148 -3.631 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.875 -1.197 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.487 -1.764 7.099 1.00 0.00 H new ATOM 0 HG LEU A 14 57.997 -3.499 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.066 -2.786 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.264 -1.402 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.120 -1.638 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.701 -4.674 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.755 -3.525 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 14 56.928 -4.638 7.029 1.00 0.00 H new ATOM 209 N SER A 15 53.733 -1.405 6.329 1.00 0.00 N ATOM 210 CA SER A 15 52.577 -0.478 6.162 1.00 0.00 C ATOM 211 C SER A 15 53.069 0.907 5.734 1.00 0.00 C ATOM 212 O SER A 15 54.213 1.257 5.936 1.00 0.00 O ATOM 213 CB SER A 15 51.913 -0.408 7.539 1.00 0.00 C ATOM 214 OG SER A 15 52.697 -1.126 8.484 1.00 0.00 O ATOM 0 H SER A 15 54.006 -1.588 7.295 1.00 0.00 H new ATOM 0 HA SER A 15 51.883 -0.822 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.810 0.631 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.908 -0.828 7.491 1.00 0.00 H new ATOM 0 HG SER A 15 52.271 -1.079 9.365 1.00 0.00 H new ATOM 220 N GLU A 16 52.212 1.695 5.143 1.00 0.00 N ATOM 221 CA GLU A 16 52.634 3.056 4.704 1.00 0.00 C ATOM 222 C GLU A 16 53.170 3.854 5.896 1.00 0.00 C ATOM 223 O GLU A 16 53.834 4.857 5.735 1.00 0.00 O ATOM 224 CB GLU A 16 51.366 3.706 4.149 1.00 0.00 C ATOM 225 CG GLU A 16 51.589 5.211 3.991 1.00 0.00 C ATOM 226 CD GLU A 16 50.672 5.753 2.893 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.957 4.960 2.302 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.702 6.950 2.660 1.00 0.00 O ATOM 0 H GLU A 16 51.240 1.456 4.946 1.00 0.00 H new ATOM 0 HA GLU A 16 53.431 3.021 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.109 3.263 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.527 3.521 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.385 5.720 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.631 5.410 3.740 1.00 0.00 H new ATOM 235 N GLU A 17 52.890 3.413 7.092 1.00 0.00 N ATOM 236 CA GLU A 17 53.387 4.145 8.291 1.00 0.00 C ATOM 237 C GLU A 17 54.901 3.960 8.429 1.00 0.00 C ATOM 238 O GLU A 17 55.645 4.914 8.537 1.00 0.00 O ATOM 239 CB GLU A 17 52.659 3.509 9.476 1.00 0.00 C ATOM 240 CG GLU A 17 53.210 4.085 10.783 1.00 0.00 C ATOM 241 CD GLU A 17 52.811 5.557 10.902 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.681 5.816 11.282 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.642 6.402 10.612 1.00 0.00 O ATOM 0 H GLU A 17 52.339 2.578 7.290 1.00 0.00 H new ATOM 0 HA GLU A 17 53.200 5.217 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.588 3.701 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.791 2.427 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.822 3.523 11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.296 3.989 10.806 1.00 0.00 H new ATOM 250 N MET A 18 55.362 2.739 8.424 1.00 0.00 N ATOM 251 CA MET A 18 56.827 2.496 8.554 1.00 0.00 C ATOM 252 C MET A 18 57.586 3.266 7.470 1.00 0.00 C ATOM 253 O MET A 18 58.588 3.899 7.734 1.00 0.00 O ATOM 254 CB MET A 18 57.000 0.987 8.370 1.00 0.00 C ATOM 255 CG MET A 18 58.463 0.671 8.052 1.00 0.00 C ATOM 256 SD MET A 18 59.529 1.441 9.295 1.00 0.00 S ATOM 257 CE MET A 18 59.507 0.081 10.486 1.00 0.00 C ATOM 0 H MET A 18 54.788 1.900 8.336 1.00 0.00 H new ATOM 0 HA MET A 18 57.219 2.832 9.514 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.693 0.463 9.275 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.358 0.633 7.563 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.619 -0.408 8.041 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.719 1.040 7.059 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.114 0.346 11.352 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.482 -0.106 10.805 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.912 -0.817 10.020 1.00 0.00 H new ATOM 267 N ILE A 19 57.117 3.221 6.251 1.00 0.00 N ATOM 268 CA ILE A 19 57.819 3.959 5.163 1.00 0.00 C ATOM 269 C ILE A 19 58.212 5.352 5.656 1.00 0.00 C ATOM 270 O ILE A 19 59.287 5.843 5.371 1.00 0.00 O ATOM 271 CB ILE A 19 56.807 4.056 4.023 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.671 2.689 3.347 1.00 0.00 C ATOM 273 CG2 ILE A 19 57.291 5.084 2.998 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.725 2.801 2.150 1.00 0.00 C ATOM 0 H ILE A 19 56.283 2.708 5.964 1.00 0.00 H new ATOM 0 HA ILE A 19 58.733 3.459 4.844 1.00 0.00 H new ATOM 0 HB ILE A 19 55.840 4.365 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.648 2.335 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.289 1.957 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.569 5.154 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 19 57.391 6.057 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 19 58.257 4.774 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.629 1.827 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.745 3.136 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 19 56.126 3.520 1.436 1.00 0.00 H new ATOM 286 N ALA A 20 57.354 5.988 6.406 1.00 0.00 N ATOM 287 CA ALA A 20 57.686 7.342 6.929 1.00 0.00 C ATOM 288 C ALA A 20 58.939 7.259 7.802 1.00 0.00 C ATOM 289 O ALA A 20 59.763 8.152 7.813 1.00 0.00 O ATOM 290 CB ALA A 20 56.473 7.759 7.761 1.00 0.00 C ATOM 0 H ALA A 20 56.439 5.629 6.678 1.00 0.00 H new ATOM 0 HA ALA A 20 57.891 8.060 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.643 8.750 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.587 7.781 7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.323 7.043 8.569 1.00 0.00 H new ATOM 296 N GLU A 21 59.091 6.185 8.529 1.00 0.00 N ATOM 297 CA GLU A 21 60.294 6.035 9.395 1.00 0.00 C ATOM 298 C GLU A 21 61.547 5.925 8.523 1.00 0.00 C ATOM 299 O GLU A 21 62.589 6.457 8.844 1.00 0.00 O ATOM 300 CB GLU A 21 60.066 4.738 10.177 1.00 0.00 C ATOM 301 CG GLU A 21 61.390 4.268 10.782 1.00 0.00 C ATOM 302 CD GLU A 21 61.899 5.317 11.771 1.00 0.00 C ATOM 303 OE1 GLU A 21 61.229 6.322 11.936 1.00 0.00 O ATOM 304 OE2 GLU A 21 62.952 5.097 12.349 1.00 0.00 O ATOM 0 H GLU A 21 58.434 5.406 8.560 1.00 0.00 H new ATOM 0 HA GLU A 21 60.437 6.886 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 21 59.331 4.901 10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.662 3.970 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.252 3.312 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 21 62.126 4.108 9.994 1.00 0.00 H new ATOM 311 N PHE A 22 61.446 5.240 7.415 1.00 0.00 N ATOM 312 CA PHE A 22 62.626 5.098 6.516 1.00 0.00 C ATOM 313 C PHE A 22 62.824 6.381 5.705 1.00 0.00 C ATOM 314 O PHE A 22 63.917 6.696 5.279 1.00 0.00 O ATOM 315 CB PHE A 22 62.282 3.926 5.592 1.00 0.00 C ATOM 316 CG PHE A 22 62.160 2.646 6.393 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.511 2.621 7.750 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.692 1.480 5.773 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.397 1.434 8.483 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.579 0.292 6.507 1.00 0.00 C ATOM 321 CZ PHE A 22 61.931 0.269 7.861 1.00 0.00 C ATOM 0 H PHE A 22 60.598 4.773 7.095 1.00 0.00 H new ATOM 0 HA PHE A 22 63.550 4.923 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.346 4.127 5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.054 3.815 4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.870 3.519 8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.418 1.497 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.668 1.417 9.528 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.220 -0.607 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.843 -0.647 8.426 1.00 0.00 H new ATOM 331 N LYS A 23 61.772 7.125 5.491 1.00 0.00 N ATOM 332 CA LYS A 23 61.896 8.389 4.709 1.00 0.00 C ATOM 333 C LYS A 23 62.747 9.404 5.477 1.00 0.00 C ATOM 334 O LYS A 23 63.849 9.729 5.082 1.00 0.00 O ATOM 335 CB LYS A 23 60.463 8.898 4.552 1.00 0.00 C ATOM 336 CG LYS A 23 60.411 9.945 3.439 1.00 0.00 C ATOM 337 CD LYS A 23 60.486 9.249 2.078 1.00 0.00 C ATOM 338 CE LYS A 23 59.477 9.887 1.122 1.00 0.00 C ATOM 339 NZ LYS A 23 60.035 11.234 0.816 1.00 0.00 N ATOM 0 H LYS A 23 60.832 6.912 5.824 1.00 0.00 H new ATOM 0 HA LYS A 23 62.381 8.234 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.795 8.069 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.115 9.331 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.490 10.524 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.238 10.647 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.493 9.333 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.275 8.185 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.361 9.292 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.491 9.963 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.493 11.666 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.970 11.837 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 61.031 11.141 0.533 1.00 0.00 H new ATOM 353 N ALA A 24 62.244 9.905 6.572 1.00 0.00 N ATOM 354 CA ALA A 24 63.024 10.899 7.364 1.00 0.00 C ATOM 355 C ALA A 24 64.428 10.362 7.655 1.00 0.00 C ATOM 356 O ALA A 24 65.340 11.108 7.950 1.00 0.00 O ATOM 357 CB ALA A 24 62.237 11.078 8.662 1.00 0.00 C ATOM 0 H ALA A 24 61.327 9.669 6.953 1.00 0.00 H new ATOM 0 HA ALA A 24 63.151 11.842 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.749 11.797 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.236 11.443 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.165 10.121 9.178 1.00 0.00 H new ATOM 363 N ALA A 25 64.609 9.071 7.571 1.00 0.00 N ATOM 364 CA ALA A 25 65.956 8.487 7.841 1.00 0.00 C ATOM 365 C ALA A 25 66.756 8.388 6.540 1.00 0.00 C ATOM 366 O ALA A 25 67.927 8.712 6.494 1.00 0.00 O ATOM 367 CB ALA A 25 65.678 7.095 8.409 1.00 0.00 C ATOM 0 H ALA A 25 63.884 8.396 7.328 1.00 0.00 H new ATOM 0 HA ALA A 25 66.542 9.096 8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.622 6.599 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.089 7.185 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.125 6.507 7.677 1.00 0.00 H new ATOM 373 N PHE A 26 66.135 7.945 5.482 1.00 0.00 N ATOM 374 CA PHE A 26 66.860 7.827 4.186 1.00 0.00 C ATOM 375 C PHE A 26 67.186 9.217 3.632 1.00 0.00 C ATOM 376 O PHE A 26 68.229 9.436 3.049 1.00 0.00 O ATOM 377 CB PHE A 26 65.893 7.095 3.255 1.00 0.00 C ATOM 378 CG PHE A 26 66.461 7.069 1.857 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.387 8.211 1.051 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.065 5.905 1.368 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.915 8.189 -0.245 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.593 5.882 0.072 1.00 0.00 C ATOM 383 CZ PHE A 26 67.519 7.024 -0.735 1.00 0.00 C ATOM 0 H PHE A 26 65.156 7.659 5.459 1.00 0.00 H new ATOM 0 HA PHE A 26 67.806 7.296 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.729 6.078 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.924 7.593 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.922 9.109 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.124 5.025 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.857 9.070 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.058 4.983 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.927 7.007 -1.735 1.00 0.00 H new ATOM 393 N ASP A 27 66.300 10.160 3.812 1.00 0.00 N ATOM 394 CA ASP A 27 66.560 11.536 3.297 1.00 0.00 C ATOM 395 C ASP A 27 67.688 12.195 4.095 1.00 0.00 C ATOM 396 O ASP A 27 68.135 13.278 3.777 1.00 0.00 O ATOM 397 CB ASP A 27 65.247 12.291 3.504 1.00 0.00 C ATOM 398 CG ASP A 27 64.961 12.420 5.002 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.727 11.874 5.779 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.984 13.064 5.345 1.00 0.00 O ATOM 0 H ASP A 27 65.409 10.037 4.293 1.00 0.00 H new ATOM 0 HA ASP A 27 66.869 11.534 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.308 13.279 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.430 11.763 3.011 1.00 0.00 H new ATOM 405 N MET A 28 68.152 11.548 5.130 1.00 0.00 N ATOM 406 CA MET A 28 69.251 12.138 5.945 1.00 0.00 C ATOM 407 C MET A 28 70.480 12.394 5.070 1.00 0.00 C ATOM 408 O MET A 28 71.282 13.263 5.348 1.00 0.00 O ATOM 409 CB MET A 28 69.564 11.086 7.010 1.00 0.00 C ATOM 410 CG MET A 28 68.415 11.019 8.017 1.00 0.00 C ATOM 411 SD MET A 28 68.776 12.104 9.420 1.00 0.00 S ATOM 412 CE MET A 28 67.262 11.777 10.355 1.00 0.00 C ATOM 0 H MET A 28 67.818 10.638 5.446 1.00 0.00 H new ATOM 0 HA MET A 28 68.969 13.094 6.386 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.709 10.112 6.542 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.494 11.336 7.520 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.482 11.321 7.541 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.279 9.994 8.362 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.401 12.083 11.392 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.436 12.339 9.918 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.035 10.711 10.319 1.00 0.00 H new ATOM 422 N PHE A 29 70.633 11.642 4.015 1.00 0.00 N ATOM 423 CA PHE A 29 71.814 11.841 3.123 1.00 0.00 C ATOM 424 C PHE A 29 71.351 12.286 1.733 1.00 0.00 C ATOM 425 O PHE A 29 71.960 11.964 0.733 1.00 0.00 O ATOM 426 CB PHE A 29 72.502 10.472 3.044 1.00 0.00 C ATOM 427 CG PHE A 29 72.438 9.785 4.389 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.428 10.029 5.349 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.385 8.908 4.675 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.364 9.394 6.595 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.321 8.274 5.921 1.00 0.00 C ATOM 432 CZ PHE A 29 72.310 8.517 6.881 1.00 0.00 C ATOM 0 H PHE A 29 69.994 10.900 3.731 1.00 0.00 H new ATOM 0 HA PHE A 29 72.488 12.609 3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.017 9.855 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.541 10.595 2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.240 10.706 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.622 8.721 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.127 9.580 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.509 7.597 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.260 8.028 7.843 1.00 0.00 H new ATOM 442 N ASP A 30 70.276 13.021 1.664 1.00 0.00 N ATOM 443 CA ASP A 30 69.774 13.485 0.338 1.00 0.00 C ATOM 444 C ASP A 30 70.106 14.965 0.133 1.00 0.00 C ATOM 445 O ASP A 30 69.274 15.745 -0.281 1.00 0.00 O ATOM 446 CB ASP A 30 68.260 13.279 0.395 1.00 0.00 C ATOM 447 CG ASP A 30 67.881 12.047 -0.429 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.507 11.829 -1.453 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.973 11.342 -0.022 1.00 0.00 O ATOM 0 H ASP A 30 69.723 13.321 2.467 1.00 0.00 H new ATOM 0 HA ASP A 30 70.230 12.941 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.938 13.151 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.748 14.160 0.008 1.00 0.00 H new ATOM 490 N GLY A 35 65.797 12.492 -2.998 1.00 0.00 N ATOM 491 CA GLY A 35 65.002 11.285 -3.362 1.00 0.00 C ATOM 492 C GLY A 35 65.931 10.074 -3.459 1.00 0.00 C ATOM 493 O GLY A 35 65.518 8.946 -3.276 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.230 11.106 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.494 11.444 -4.313 1.00 0.00 H new ATOM 497 N ASP A 36 67.186 10.298 -3.745 1.00 0.00 N ATOM 498 CA ASP A 36 68.141 9.158 -3.854 1.00 0.00 C ATOM 499 C ASP A 36 69.519 9.571 -3.330 1.00 0.00 C ATOM 500 O ASP A 36 70.089 10.554 -3.759 1.00 0.00 O ATOM 501 CB ASP A 36 68.210 8.839 -5.347 1.00 0.00 C ATOM 502 CG ASP A 36 68.512 10.117 -6.129 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.671 10.497 -6.179 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.580 10.694 -6.665 1.00 0.00 O ATOM 0 H ASP A 36 67.590 11.220 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 36 67.823 8.296 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.983 8.094 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.266 8.410 -5.682 1.00 0.00 H new ATOM 509 N ILE A 37 70.058 8.824 -2.406 1.00 0.00 N ATOM 510 CA ILE A 37 71.400 9.171 -1.856 1.00 0.00 C ATOM 511 C ILE A 37 72.486 8.373 -2.582 1.00 0.00 C ATOM 512 O ILE A 37 72.205 7.435 -3.299 1.00 0.00 O ATOM 513 CB ILE A 37 71.338 8.778 -0.381 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.133 7.265 -0.264 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.170 9.501 0.291 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.265 6.844 1.201 1.00 0.00 C ATOM 0 H ILE A 37 69.628 7.989 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 37 71.641 10.226 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 37 72.271 9.059 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.150 6.990 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 37 71.869 6.739 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.126 9.221 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.313 10.578 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.238 9.220 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.119 5.767 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.258 7.105 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.512 7.360 1.797 1.00 0.00 H new ATOM 528 N SER A 38 73.726 8.739 -2.403 1.00 0.00 N ATOM 529 CA SER A 38 74.826 8.000 -3.085 1.00 0.00 C ATOM 530 C SER A 38 74.753 6.510 -2.744 1.00 0.00 C ATOM 531 O SER A 38 74.565 6.132 -1.604 1.00 0.00 O ATOM 532 CB SER A 38 76.114 8.614 -2.541 1.00 0.00 C ATOM 533 OG SER A 38 76.682 9.468 -3.526 1.00 0.00 O ATOM 0 H SER A 38 74.025 9.517 -1.815 1.00 0.00 H new ATOM 0 HA SER A 38 74.766 8.079 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.906 9.178 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.820 7.828 -2.274 1.00 0.00 H new ATOM 0 HG SER A 38 77.508 9.865 -3.178 1.00 0.00 H new ATOM 539 N THR A 39 74.902 5.659 -3.723 1.00 0.00 N ATOM 540 CA THR A 39 74.842 4.194 -3.453 1.00 0.00 C ATOM 541 C THR A 39 75.779 3.832 -2.297 1.00 0.00 C ATOM 542 O THR A 39 75.560 2.871 -1.586 1.00 0.00 O ATOM 543 CB THR A 39 75.311 3.534 -4.750 1.00 0.00 C ATOM 544 OG1 THR A 39 76.412 4.259 -5.278 1.00 0.00 O ATOM 545 CG2 THR A 39 74.165 3.529 -5.764 1.00 0.00 C ATOM 0 H THR A 39 75.063 5.915 -4.697 1.00 0.00 H new ATOM 0 HA THR A 39 73.843 3.866 -3.167 1.00 0.00 H new ATOM 0 HB THR A 39 75.617 2.508 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.742 3.811 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.499 3.059 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.322 2.971 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.856 4.554 -5.969 1.00 0.00 H new ATOM 553 N LYS A 40 76.820 4.594 -2.107 1.00 0.00 N ATOM 554 CA LYS A 40 77.771 4.294 -0.998 1.00 0.00 C ATOM 555 C LYS A 40 77.130 4.628 0.351 1.00 0.00 C ATOM 556 O LYS A 40 77.624 4.251 1.396 1.00 0.00 O ATOM 557 CB LYS A 40 78.977 5.195 -1.257 1.00 0.00 C ATOM 558 CG LYS A 40 80.241 4.524 -0.717 1.00 0.00 C ATOM 559 CD LYS A 40 80.958 3.795 -1.855 1.00 0.00 C ATOM 560 CE LYS A 40 81.494 2.455 -1.346 1.00 0.00 C ATOM 561 NZ LYS A 40 81.576 1.588 -2.555 1.00 0.00 N ATOM 0 H LYS A 40 77.054 5.411 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 40 78.050 3.241 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.081 5.383 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.832 6.162 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.902 5.270 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.982 3.820 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.272 3.632 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.777 4.406 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.471 2.573 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.831 2.024 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 81.936 0.650 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 80.630 1.488 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.219 2.020 -3.249 1.00 0.00 H new ATOM 575 N GLU A 41 76.033 5.334 0.338 1.00 0.00 N ATOM 576 CA GLU A 41 75.361 5.693 1.620 1.00 0.00 C ATOM 577 C GLU A 41 74.259 4.679 1.941 1.00 0.00 C ATOM 578 O GLU A 41 73.832 4.548 3.071 1.00 0.00 O ATOM 579 CB GLU A 41 74.761 7.077 1.378 1.00 0.00 C ATOM 580 CG GLU A 41 74.548 7.783 2.719 1.00 0.00 C ATOM 581 CD GLU A 41 75.836 8.499 3.128 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.820 7.817 3.365 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.818 9.717 3.197 1.00 0.00 O ATOM 0 H GLU A 41 75.572 5.678 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 41 76.051 5.690 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.424 7.667 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.813 6.986 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.731 8.500 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.264 7.059 3.482 1.00 0.00 H new ATOM 590 N LEU A 42 73.796 3.959 0.954 1.00 0.00 N ATOM 591 CA LEU A 42 72.722 2.955 1.203 1.00 0.00 C ATOM 592 C LEU A 42 73.044 2.136 2.456 1.00 0.00 C ATOM 593 O LEU A 42 72.181 1.855 3.264 1.00 0.00 O ATOM 594 CB LEU A 42 72.723 2.060 -0.037 1.00 0.00 C ATOM 595 CG LEU A 42 71.345 1.419 -0.204 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.833 1.666 -1.625 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.452 -0.088 0.042 1.00 0.00 C ATOM 0 H LEU A 42 74.115 4.023 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 42 71.751 3.421 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.973 2.646 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.486 1.288 0.060 1.00 0.00 H new ATOM 0 HG LEU A 42 70.652 1.859 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 42 69.851 1.208 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.757 2.739 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.526 1.227 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.470 -0.547 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.146 -0.525 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.816 -0.267 1.054 1.00 0.00 H new ATOM 609 N GLY A 43 74.280 1.751 2.624 1.00 0.00 N ATOM 610 CA GLY A 43 74.654 0.951 3.824 1.00 0.00 C ATOM 611 C GLY A 43 74.255 1.710 5.091 1.00 0.00 C ATOM 612 O GLY A 43 73.720 1.143 6.022 1.00 0.00 O ATOM 0 H GLY A 43 75.046 1.956 1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.157 -0.018 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.727 0.759 3.826 1.00 0.00 H new ATOM 616 N THR A 44 74.508 2.990 5.132 1.00 0.00 N ATOM 617 CA THR A 44 74.141 3.783 6.340 1.00 0.00 C ATOM 618 C THR A 44 72.633 3.693 6.590 1.00 0.00 C ATOM 619 O THR A 44 72.191 3.186 7.602 1.00 0.00 O ATOM 620 CB THR A 44 74.544 5.220 6.008 1.00 0.00 C ATOM 621 OG1 THR A 44 75.956 5.349 6.104 1.00 0.00 O ATOM 622 CG2 THR A 44 73.873 6.180 6.993 1.00 0.00 C ATOM 0 H THR A 44 74.952 3.520 4.382 1.00 0.00 H new ATOM 0 HA THR A 44 74.636 3.419 7.240 1.00 0.00 H new ATOM 0 HB THR A 44 74.226 5.462 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.216 6.269 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.161 7.204 6.756 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.790 6.080 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.190 5.940 8.008 1.00 0.00 H new ATOM 630 N VAL A 45 71.841 4.180 5.675 1.00 0.00 N ATOM 631 CA VAL A 45 70.363 4.122 5.862 1.00 0.00 C ATOM 632 C VAL A 45 69.952 2.736 6.368 1.00 0.00 C ATOM 633 O VAL A 45 69.336 2.604 7.407 1.00 0.00 O ATOM 634 CB VAL A 45 69.778 4.383 4.475 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.273 4.105 4.494 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.018 5.845 4.088 1.00 0.00 C ATOM 0 H VAL A 45 72.152 4.615 4.807 1.00 0.00 H new ATOM 0 HA VAL A 45 70.008 4.847 6.595 1.00 0.00 H new ATOM 0 HB VAL A 45 70.260 3.728 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.856 4.291 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.099 3.065 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.791 4.760 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.601 6.033 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.535 6.498 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.089 6.047 4.075 1.00 0.00 H new ATOM 646 N MET A 46 70.291 1.703 5.647 1.00 0.00 N ATOM 647 CA MET A 46 69.920 0.330 6.095 1.00 0.00 C ATOM 648 C MET A 46 70.232 0.166 7.584 1.00 0.00 C ATOM 649 O MET A 46 69.370 -0.150 8.380 1.00 0.00 O ATOM 650 CB MET A 46 70.790 -0.609 5.260 1.00 0.00 C ATOM 651 CG MET A 46 70.207 -0.732 3.853 1.00 0.00 C ATOM 652 SD MET A 46 70.803 -2.257 3.081 1.00 0.00 S ATOM 653 CE MET A 46 69.686 -3.395 3.938 1.00 0.00 C ATOM 0 H MET A 46 70.808 1.749 4.769 1.00 0.00 H new ATOM 0 HA MET A 46 68.858 0.123 5.964 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.810 -0.228 5.210 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.839 -1.591 5.731 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.118 -0.737 3.899 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.497 0.130 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.268 -4.169 4.438 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.103 -2.845 4.676 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.013 -3.858 3.216 1.00 0.00 H new ATOM 663 N ARG A 47 71.462 0.381 7.965 1.00 0.00 N ATOM 664 CA ARG A 47 71.834 0.240 9.403 1.00 0.00 C ATOM 665 C ARG A 47 71.102 1.288 10.243 1.00 0.00 C ATOM 666 O ARG A 47 70.494 0.976 11.249 1.00 0.00 O ATOM 667 CB ARG A 47 73.343 0.479 9.444 1.00 0.00 C ATOM 668 CG ARG A 47 74.076 -0.815 9.086 1.00 0.00 C ATOM 669 CD ARG A 47 75.578 -0.629 9.311 1.00 0.00 C ATOM 670 NE ARG A 47 75.800 -0.995 10.737 1.00 0.00 N ATOM 671 CZ ARG A 47 75.770 -0.073 11.660 1.00 0.00 C ATOM 672 NH1 ARG A 47 76.832 0.646 11.897 1.00 0.00 N ATOM 673 NH2 ARG A 47 74.678 0.131 12.344 1.00 0.00 N ATOM 0 H ARG A 47 72.225 0.648 7.343 1.00 0.00 H new ATOM 0 HA ARG A 47 71.564 -0.736 9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.616 1.269 8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.642 0.815 10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.705 -1.637 9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.883 -1.079 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.159 -1.266 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.883 0.399 9.115 1.00 0.00 H new ATOM 0 HE ARG A 47 75.976 -1.967 10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.685 0.487 11.361 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.809 1.367 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 47 73.847 -0.430 12.157 1.00 0.00 H new ATOM 0 HH22 ARG A 47 74.655 0.852 13.065 1.00 0.00 H new ATOM 687 N MET A 48 71.153 2.528 9.841 1.00 0.00 N ATOM 688 CA MET A 48 70.458 3.594 10.619 1.00 0.00 C ATOM 689 C MET A 48 68.965 3.275 10.727 1.00 0.00 C ATOM 690 O MET A 48 68.257 3.839 11.538 1.00 0.00 O ATOM 691 CB MET A 48 70.674 4.879 9.818 1.00 0.00 C ATOM 692 CG MET A 48 70.738 6.072 10.773 1.00 0.00 C ATOM 693 SD MET A 48 69.244 7.077 10.587 1.00 0.00 S ATOM 694 CE MET A 48 70.070 8.670 10.353 1.00 0.00 C ATOM 0 H MET A 48 71.646 2.850 9.008 1.00 0.00 H new ATOM 0 HA MET A 48 70.842 3.681 11.635 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.597 4.810 9.243 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.862 5.015 9.103 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.828 5.723 11.802 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.622 6.673 10.561 1.00 0.00 H new ATOM 0 HE1 MET A 48 69.371 9.478 10.569 1.00 0.00 H new ATOM 0 HE2 MET A 48 70.924 8.740 11.027 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.414 8.754 9.322 1.00 0.00 H new ATOM 704 N LEU A 49 68.484 2.376 9.914 1.00 0.00 N ATOM 705 CA LEU A 49 67.037 2.020 9.968 1.00 0.00 C ATOM 706 C LEU A 49 66.794 0.946 11.032 1.00 0.00 C ATOM 707 O LEU A 49 65.886 1.049 11.835 1.00 0.00 O ATOM 708 CB LEU A 49 66.711 1.482 8.576 1.00 0.00 C ATOM 709 CG LEU A 49 65.698 2.405 7.898 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.160 3.858 8.027 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.586 2.035 6.417 1.00 0.00 C ATOM 0 H LEU A 49 69.029 1.872 9.215 1.00 0.00 H new ATOM 0 HA LEU A 49 66.411 2.872 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.619 1.419 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.307 0.472 8.650 1.00 0.00 H new ATOM 0 HG LEU A 49 64.726 2.291 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.437 4.514 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.241 4.122 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 49 67.132 3.974 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.864 2.692 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 49 66.559 2.149 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.255 1.001 6.324 1.00 0.00 H new ATOM 723 N GLY A 50 67.597 -0.083 11.049 1.00 0.00 N ATOM 724 CA GLY A 50 67.407 -1.156 12.066 1.00 0.00 C ATOM 725 C GLY A 50 68.058 -2.452 11.580 1.00 0.00 C ATOM 726 O GLY A 50 68.427 -3.304 12.366 1.00 0.00 O ATOM 0 H GLY A 50 68.374 -0.227 10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.847 -0.851 13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.344 -1.317 12.244 1.00 0.00 H new ATOM 730 N GLN A 51 68.201 -2.616 10.292 1.00 0.00 N ATOM 731 CA GLN A 51 68.829 -3.867 9.769 1.00 0.00 C ATOM 732 C GLN A 51 70.354 -3.756 9.833 1.00 0.00 C ATOM 733 O GLN A 51 70.896 -2.773 10.296 1.00 0.00 O ATOM 734 CB GLN A 51 68.363 -3.988 8.315 1.00 0.00 C ATOM 735 CG GLN A 51 66.907 -3.533 8.191 1.00 0.00 C ATOM 736 CD GLN A 51 66.858 -2.158 7.522 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.874 -1.629 7.119 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.711 -1.553 7.387 1.00 0.00 N ATOM 0 H GLN A 51 67.912 -1.943 9.582 1.00 0.00 H new ATOM 0 HA GLN A 51 68.543 -4.740 10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.998 -3.381 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.460 -5.020 7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.338 -4.255 7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.444 -3.486 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 51 64.857 -1.997 7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.667 -0.636 6.943 1.00 0.00 H new ATOM 747 N ASN A 52 71.048 -4.758 9.372 1.00 0.00 N ATOM 748 CA ASN A 52 72.538 -4.712 9.405 1.00 0.00 C ATOM 749 C ASN A 52 73.114 -5.487 8.218 1.00 0.00 C ATOM 750 O ASN A 52 73.461 -6.645 8.341 1.00 0.00 O ATOM 751 CB ASN A 52 72.922 -5.385 10.725 1.00 0.00 C ATOM 752 CG ASN A 52 74.226 -4.780 11.247 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.178 -4.625 10.508 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.312 -4.428 12.501 1.00 0.00 N ATOM 0 H ASN A 52 70.649 -5.608 8.973 1.00 0.00 H new ATOM 0 HA ASN A 52 72.925 -3.695 9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.127 -5.250 11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.041 -6.458 10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.177 -4.024 12.859 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.514 -4.557 13.123 1.00 0.00 H new ATOM 761 N PRO A 53 73.196 -4.815 7.102 1.00 0.00 N ATOM 762 CA PRO A 53 73.735 -5.445 5.871 1.00 0.00 C ATOM 763 C PRO A 53 75.250 -5.632 5.988 1.00 0.00 C ATOM 764 O PRO A 53 75.976 -4.707 6.295 1.00 0.00 O ATOM 765 CB PRO A 53 73.398 -4.437 4.776 1.00 0.00 C ATOM 766 CG PRO A 53 73.282 -3.125 5.483 1.00 0.00 C ATOM 767 CD PRO A 53 72.800 -3.420 6.880 1.00 0.00 C ATOM 0 HA PRO A 53 73.319 -6.434 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.176 -4.407 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.467 -4.698 4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.244 -2.613 5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.584 -2.468 4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.259 -2.753 7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.721 -3.292 6.966 1.00 0.00 H new ATOM 775 N THR A 54 75.734 -6.818 5.745 1.00 0.00 N ATOM 776 CA THR A 54 77.203 -7.054 5.842 1.00 0.00 C ATOM 777 C THR A 54 77.945 -6.131 4.873 1.00 0.00 C ATOM 778 O THR A 54 77.456 -5.815 3.806 1.00 0.00 O ATOM 779 CB THR A 54 77.396 -8.518 5.444 1.00 0.00 C ATOM 780 OG1 THR A 54 76.697 -8.774 4.233 1.00 0.00 O ATOM 781 CG2 THR A 54 76.856 -9.426 6.549 1.00 0.00 C ATOM 0 H THR A 54 75.178 -7.633 5.484 1.00 0.00 H new ATOM 0 HA THR A 54 77.592 -6.850 6.839 1.00 0.00 H new ATOM 0 HB THR A 54 78.458 -8.718 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.821 -9.711 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.995 -10.469 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.394 -9.229 7.477 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.794 -9.228 6.696 1.00 0.00 H new ATOM 789 N LYS A 55 79.118 -5.690 5.236 1.00 0.00 N ATOM 790 CA LYS A 55 79.884 -4.785 4.330 1.00 0.00 C ATOM 791 C LYS A 55 79.800 -5.289 2.887 1.00 0.00 C ATOM 792 O LYS A 55 79.571 -4.528 1.967 1.00 0.00 O ATOM 793 CB LYS A 55 81.326 -4.842 4.835 1.00 0.00 C ATOM 794 CG LYS A 55 82.225 -4.046 3.889 1.00 0.00 C ATOM 795 CD LYS A 55 83.073 -3.061 4.697 1.00 0.00 C ATOM 796 CE LYS A 55 83.967 -2.259 3.749 1.00 0.00 C ATOM 797 NZ LYS A 55 85.177 -3.105 3.556 1.00 0.00 N ATOM 0 H LYS A 55 79.579 -5.916 6.118 1.00 0.00 H new ATOM 0 HA LYS A 55 79.492 -3.768 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.387 -4.432 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.663 -5.877 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.870 -4.723 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.618 -3.508 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.428 -2.388 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.684 -3.600 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.465 -2.066 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.226 -1.290 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.585 -2.918 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.878 -2.880 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.913 -4.109 3.625 1.00 0.00 H new ATOM 811 N GLU A 56 79.979 -6.565 2.681 1.00 0.00 N ATOM 812 CA GLU A 56 79.906 -7.113 1.296 1.00 0.00 C ATOM 813 C GLU A 56 78.508 -6.886 0.715 1.00 0.00 C ATOM 814 O GLU A 56 78.354 -6.550 -0.442 1.00 0.00 O ATOM 815 CB GLU A 56 80.192 -8.608 1.442 1.00 0.00 C ATOM 816 CG GLU A 56 81.053 -9.079 0.269 1.00 0.00 C ATOM 817 CD GLU A 56 80.936 -10.597 0.127 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.728 -11.253 1.134 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.059 -11.079 -0.988 1.00 0.00 O ATOM 0 H GLU A 56 80.172 -7.251 3.410 1.00 0.00 H new ATOM 0 HA GLU A 56 80.614 -6.630 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.705 -8.801 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.257 -9.167 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.731 -8.591 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.093 -8.798 0.432 1.00 0.00 H new ATOM 826 N GLU A 57 77.488 -7.065 1.510 1.00 0.00 N ATOM 827 CA GLU A 57 76.103 -6.854 1.000 1.00 0.00 C ATOM 828 C GLU A 57 75.964 -5.436 0.444 1.00 0.00 C ATOM 829 O GLU A 57 75.347 -5.217 -0.579 1.00 0.00 O ATOM 830 CB GLU A 57 75.195 -7.049 2.215 1.00 0.00 C ATOM 831 CG GLU A 57 74.705 -8.497 2.260 1.00 0.00 C ATOM 832 CD GLU A 57 73.583 -8.689 1.237 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.132 -7.697 0.690 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.196 -9.825 1.019 1.00 0.00 O ATOM 0 H GLU A 57 77.553 -7.347 2.488 1.00 0.00 H new ATOM 0 HA GLU A 57 75.848 -7.541 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.737 -6.809 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.346 -6.368 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.529 -9.178 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.345 -8.739 3.260 1.00 0.00 H new ATOM 841 N LEU A 58 76.538 -4.471 1.109 1.00 0.00 N ATOM 842 CA LEU A 58 76.444 -3.068 0.616 1.00 0.00 C ATOM 843 C LEU A 58 77.089 -2.956 -0.767 1.00 0.00 C ATOM 844 O LEU A 58 76.482 -2.485 -1.709 1.00 0.00 O ATOM 845 CB LEU A 58 77.218 -2.236 1.640 1.00 0.00 C ATOM 846 CG LEU A 58 76.596 -2.423 3.024 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.174 -1.385 3.987 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.080 -2.240 2.927 1.00 0.00 C ATOM 0 H LEU A 58 77.068 -4.594 1.972 1.00 0.00 H new ATOM 0 HA LEU A 58 75.413 -2.730 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.264 -2.541 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.197 -1.183 1.359 1.00 0.00 H new ATOM 0 HG LEU A 58 76.820 -3.424 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.731 -1.518 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.254 -1.513 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.949 -0.383 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.634 -2.373 3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.857 -1.238 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.668 -2.978 2.239 1.00 0.00 H new ATOM 860 N ASP A 59 78.311 -3.393 -0.899 1.00 0.00 N ATOM 861 CA ASP A 59 78.988 -3.318 -2.224 1.00 0.00 C ATOM 862 C ASP A 59 78.186 -4.107 -3.262 1.00 0.00 C ATOM 863 O ASP A 59 78.074 -3.714 -4.406 1.00 0.00 O ATOM 864 CB ASP A 59 80.361 -3.954 -2.007 1.00 0.00 C ATOM 865 CG ASP A 59 81.454 -2.930 -2.318 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.567 -2.545 -3.471 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.160 -2.548 -1.400 1.00 0.00 O ATOM 0 H ASP A 59 78.869 -3.798 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 59 79.071 -2.295 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.454 -4.300 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.474 -4.828 -2.648 1.00 0.00 H new ATOM 872 N ALA A 60 77.623 -5.218 -2.867 1.00 0.00 N ATOM 873 CA ALA A 60 76.823 -6.031 -3.827 1.00 0.00 C ATOM 874 C ALA A 60 75.537 -5.286 -4.197 1.00 0.00 C ATOM 875 O ALA A 60 75.166 -5.206 -5.351 1.00 0.00 O ATOM 876 CB ALA A 60 76.499 -7.325 -3.080 1.00 0.00 C ATOM 0 H ALA A 60 77.683 -5.597 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 60 77.360 -6.224 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.910 -7.979 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.426 -7.828 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.930 -7.093 -2.180 1.00 0.00 H new ATOM 882 N ILE A 61 74.857 -4.736 -3.228 1.00 0.00 N ATOM 883 CA ILE A 61 73.601 -3.993 -3.531 1.00 0.00 C ATOM 884 C ILE A 61 73.913 -2.777 -4.406 1.00 0.00 C ATOM 885 O ILE A 61 73.260 -2.529 -5.400 1.00 0.00 O ATOM 886 CB ILE A 61 73.057 -3.549 -2.173 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.443 -4.750 -1.450 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.984 -2.480 -2.382 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.022 -4.336 -0.039 1.00 0.00 C ATOM 0 H ILE A 61 75.116 -4.769 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 61 72.880 -4.605 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 61 73.869 -3.140 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.580 -5.120 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.164 -5.566 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.594 -2.162 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.419 -1.624 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.173 -2.891 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.585 -5.191 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 61 72.895 -3.987 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.286 -3.534 -0.099 1.00 0.00 H new ATOM 901 N ILE A 62 74.915 -2.019 -4.049 1.00 0.00 N ATOM 902 CA ILE A 62 75.270 -0.825 -4.867 1.00 0.00 C ATOM 903 C ILE A 62 75.516 -1.249 -6.317 1.00 0.00 C ATOM 904 O ILE A 62 74.767 -0.904 -7.210 1.00 0.00 O ATOM 905 CB ILE A 62 76.552 -0.279 -4.240 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.231 0.314 -2.865 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.135 0.812 -5.141 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.531 0.522 -2.083 1.00 0.00 C ATOM 0 H ILE A 62 75.501 -2.175 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 62 74.478 -0.076 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 62 77.277 -1.086 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.707 1.263 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.566 -0.353 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.050 1.202 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.360 0.392 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.411 1.620 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.303 0.944 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.037 -0.435 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.180 1.205 -2.631 1.00 0.00 H new ATOM 920 N GLU A 63 76.554 -2.001 -6.559 1.00 0.00 N ATOM 921 CA GLU A 63 76.836 -2.451 -7.952 1.00 0.00 C ATOM 922 C GLU A 63 75.544 -2.948 -8.604 1.00 0.00 C ATOM 923 O GLU A 63 75.303 -2.731 -9.775 1.00 0.00 O ATOM 924 CB GLU A 63 77.840 -3.596 -7.805 1.00 0.00 C ATOM 925 CG GLU A 63 78.701 -3.685 -9.066 1.00 0.00 C ATOM 926 CD GLU A 63 79.798 -2.620 -9.011 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.666 -1.704 -8.217 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.750 -2.739 -9.765 1.00 0.00 O ATOM 0 H GLU A 63 77.218 -2.323 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 63 77.228 -1.650 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.471 -3.430 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.314 -4.537 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.146 -4.677 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.083 -3.540 -9.952 1.00 0.00 H new ATOM 935 N GLU A 64 74.707 -3.606 -7.848 1.00 0.00 N ATOM 936 CA GLU A 64 73.424 -4.111 -8.415 1.00 0.00 C ATOM 937 C GLU A 64 72.560 -2.928 -8.865 1.00 0.00 C ATOM 938 O GLU A 64 71.947 -2.955 -9.914 1.00 0.00 O ATOM 939 CB GLU A 64 72.761 -4.876 -7.261 1.00 0.00 C ATOM 940 CG GLU A 64 71.241 -4.902 -7.446 1.00 0.00 C ATOM 941 CD GLU A 64 70.894 -5.664 -8.727 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.771 -5.806 -9.564 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.759 -6.094 -8.848 1.00 0.00 O ATOM 0 H GLU A 64 74.857 -3.816 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 64 73.565 -4.749 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.147 -5.895 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.011 -4.403 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.768 -5.379 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.853 -3.885 -7.499 1.00 0.00 H new ATOM 950 N VAL A 65 72.509 -1.888 -8.077 1.00 0.00 N ATOM 951 CA VAL A 65 71.689 -0.703 -8.458 1.00 0.00 C ATOM 952 C VAL A 65 72.555 0.319 -9.201 1.00 0.00 C ATOM 953 O VAL A 65 72.060 1.279 -9.757 1.00 0.00 O ATOM 954 CB VAL A 65 71.190 -0.124 -7.134 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.499 -1.223 -6.326 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.378 0.423 -6.338 1.00 0.00 C ATOM 0 H VAL A 65 73.000 -1.808 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 65 70.866 -0.965 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 65 70.483 0.681 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.143 -0.811 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.654 -1.615 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.207 -2.028 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.024 0.836 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.085 -0.383 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.872 1.205 -6.914 1.00 0.00 H new ATOM 966 N ASP A 66 73.844 0.118 -9.216 1.00 0.00 N ATOM 967 CA ASP A 66 74.742 1.075 -9.924 1.00 0.00 C ATOM 968 C ASP A 66 74.897 0.665 -11.390 1.00 0.00 C ATOM 969 O ASP A 66 74.802 1.480 -12.287 1.00 0.00 O ATOM 970 CB ASP A 66 76.083 0.972 -9.194 1.00 0.00 C ATOM 971 CG ASP A 66 76.685 2.368 -9.028 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.513 3.177 -9.926 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.308 2.606 -8.007 1.00 0.00 O ATOM 0 H ASP A 66 74.315 -0.668 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 66 74.351 2.092 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.943 0.507 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.766 0.335 -9.755 1.00 0.00 H new ATOM 1030 N THR A 72 72.952 7.009 -7.736 1.00 0.00 N ATOM 1031 CA THR A 72 72.237 7.047 -6.427 1.00 0.00 C ATOM 1032 C THR A 72 71.126 5.993 -6.399 1.00 0.00 C ATOM 1033 O THR A 72 70.791 5.403 -7.407 1.00 0.00 O ATOM 1034 CB THR A 72 71.644 8.455 -6.340 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.704 8.636 -7.388 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.763 9.490 -6.468 1.00 0.00 C ATOM 0 HA THR A 72 72.899 6.831 -5.589 1.00 0.00 H new ATOM 0 HB THR A 72 71.145 8.582 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.456 9.582 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.340 10.493 -6.406 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.483 9.349 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.265 9.367 -7.428 1.00 0.00 H new ATOM 1044 N ILE A 73 70.554 5.752 -5.252 1.00 0.00 N ATOM 1045 CA ILE A 73 69.466 4.735 -5.160 1.00 0.00 C ATOM 1046 C ILE A 73 68.113 5.424 -4.966 1.00 0.00 C ATOM 1047 O ILE A 73 68.004 6.416 -4.273 1.00 0.00 O ATOM 1048 CB ILE A 73 69.816 3.888 -3.938 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.861 2.694 -3.859 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.677 4.735 -2.672 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.227 1.675 -4.941 1.00 0.00 C ATOM 0 H ILE A 73 70.792 6.214 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 73 69.388 4.132 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 73 70.842 3.531 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.921 2.232 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.832 3.028 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.927 4.130 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.354 5.587 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.651 5.092 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.547 0.825 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.145 2.141 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.250 1.332 -4.787 1.00 0.00 H new ATOM 1063 N ASP A 74 67.081 4.904 -5.571 1.00 0.00 N ATOM 1064 CA ASP A 74 65.735 5.529 -5.420 1.00 0.00 C ATOM 1065 C ASP A 74 65.071 5.052 -4.125 1.00 0.00 C ATOM 1066 O ASP A 74 65.068 3.877 -3.815 1.00 0.00 O ATOM 1067 CB ASP A 74 64.940 5.056 -6.638 1.00 0.00 C ATOM 1068 CG ASP A 74 64.943 6.150 -7.707 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.951 6.827 -7.831 1.00 0.00 O ATOM 1070 OD2 ASP A 74 63.937 6.294 -8.381 1.00 0.00 O ATOM 0 H ASP A 74 67.110 4.074 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 74 65.788 6.616 -5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.377 4.141 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 74 63.916 4.820 -6.348 1.00 0.00 H new ATOM 1075 N PHE A 75 64.510 5.954 -3.366 1.00 0.00 N ATOM 1076 CA PHE A 75 63.849 5.546 -2.092 1.00 0.00 C ATOM 1077 C PHE A 75 62.988 4.302 -2.321 1.00 0.00 C ATOM 1078 O PHE A 75 63.229 3.255 -1.752 1.00 0.00 O ATOM 1079 CB PHE A 75 62.974 6.737 -1.697 1.00 0.00 C ATOM 1080 CG PHE A 75 62.329 6.465 -0.358 1.00 0.00 C ATOM 1081 CD1 PHE A 75 63.044 6.696 0.824 1.00 0.00 C ATOM 1082 CD2 PHE A 75 61.016 5.982 -0.298 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.447 6.444 2.065 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.419 5.730 0.943 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.135 5.960 2.124 1.00 0.00 C ATOM 0 H PHE A 75 64.480 6.953 -3.571 1.00 0.00 H new ATOM 0 HA PHE A 75 64.571 5.297 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.577 7.644 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.208 6.906 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.057 7.069 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.464 5.804 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 75 62.998 6.623 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.406 5.358 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.675 5.764 3.081 1.00 0.00 H new ATOM 1095 N GLU A 76 61.987 4.406 -3.153 1.00 0.00 N ATOM 1096 CA GLU A 76 61.114 3.227 -3.419 1.00 0.00 C ATOM 1097 C GLU A 76 61.965 2.026 -3.838 1.00 0.00 C ATOM 1098 O GLU A 76 61.731 0.910 -3.417 1.00 0.00 O ATOM 1099 CB GLU A 76 60.199 3.661 -4.564 1.00 0.00 C ATOM 1100 CG GLU A 76 59.110 4.589 -4.022 1.00 0.00 C ATOM 1101 CD GLU A 76 59.265 5.977 -4.647 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.373 6.490 -4.638 1.00 0.00 O ATOM 1103 OE2 GLU A 76 58.274 6.505 -5.124 1.00 0.00 O ATOM 0 H GLU A 76 61.736 5.255 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 76 60.548 2.925 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.778 4.172 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.747 2.787 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.125 4.183 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.182 4.657 -2.937 1.00 0.00 H new ATOM 1110 N GLU A 77 62.953 2.245 -4.661 1.00 0.00 N ATOM 1111 CA GLU A 77 63.819 1.114 -5.101 1.00 0.00 C ATOM 1112 C GLU A 77 64.682 0.630 -3.933 1.00 0.00 C ATOM 1113 O GLU A 77 64.891 -0.552 -3.752 1.00 0.00 O ATOM 1114 CB GLU A 77 64.692 1.688 -6.215 1.00 0.00 C ATOM 1115 CG GLU A 77 65.345 0.544 -6.993 1.00 0.00 C ATOM 1116 CD GLU A 77 65.799 1.050 -8.363 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.063 1.816 -8.963 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.876 0.665 -8.788 1.00 0.00 O ATOM 0 H GLU A 77 63.198 3.156 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 77 63.239 0.258 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.089 2.300 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.458 2.338 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.197 0.153 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.639 -0.277 -7.113 1.00 0.00 H new ATOM 1125 N PHE A 78 65.179 1.536 -3.136 1.00 0.00 N ATOM 1126 CA PHE A 78 66.022 1.125 -1.977 1.00 0.00 C ATOM 1127 C PHE A 78 65.170 0.351 -0.967 1.00 0.00 C ATOM 1128 O PHE A 78 65.641 -0.553 -0.307 1.00 0.00 O ATOM 1129 CB PHE A 78 66.535 2.437 -1.374 1.00 0.00 C ATOM 1130 CG PHE A 78 66.945 2.219 0.064 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.100 1.486 0.360 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.167 2.748 1.102 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.478 1.283 1.692 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.545 2.546 2.434 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.701 1.812 2.729 1.00 0.00 C ATOM 0 H PHE A 78 65.038 2.541 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 78 66.844 0.470 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.383 2.805 -1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.758 3.200 -1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.700 1.077 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.275 3.312 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.370 0.718 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.946 2.956 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.993 1.654 3.757 1.00 0.00 H new ATOM 1145 N LEU A 79 63.918 0.700 -0.843 1.00 0.00 N ATOM 1146 CA LEU A 79 63.040 -0.019 0.123 1.00 0.00 C ATOM 1147 C LEU A 79 63.284 -1.526 0.029 1.00 0.00 C ATOM 1148 O LEU A 79 63.240 -2.234 1.014 1.00 0.00 O ATOM 1149 CB LEU A 79 61.612 0.324 -0.305 1.00 0.00 C ATOM 1150 CG LEU A 79 61.054 1.417 0.607 1.00 0.00 C ATOM 1151 CD1 LEU A 79 61.954 2.653 0.533 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.642 1.791 0.152 1.00 0.00 C ATOM 0 H LEU A 79 63.467 1.450 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 79 63.233 0.272 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.603 0.661 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.982 -0.564 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 79 61.021 1.050 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 79 61.556 3.432 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 62.961 2.390 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.987 3.018 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.245 2.570 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.675 2.157 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 79 58.999 0.913 0.203 1.00 0.00 H new ATOM 1164 N VAL A 80 63.548 -2.022 -1.149 1.00 0.00 N ATOM 1165 CA VAL A 80 63.800 -3.484 -1.298 1.00 0.00 C ATOM 1166 C VAL A 80 65.065 -3.876 -0.531 1.00 0.00 C ATOM 1167 O VAL A 80 65.152 -4.943 0.043 1.00 0.00 O ATOM 1168 CB VAL A 80 63.977 -3.710 -2.802 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.364 -3.236 -3.239 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.830 -5.200 -3.113 1.00 0.00 C ATOM 0 H VAL A 80 63.600 -1.481 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 80 62.987 -4.090 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 80 63.217 -3.145 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.484 -3.400 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.471 -2.174 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.127 -3.797 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.956 -5.362 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.589 -5.762 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.840 -5.539 -2.808 1.00 0.00 H new ATOM 1180 N MET A 81 66.047 -3.017 -0.508 1.00 0.00 N ATOM 1181 CA MET A 81 67.298 -3.342 0.230 1.00 0.00 C ATOM 1182 C MET A 81 67.010 -3.423 1.731 1.00 0.00 C ATOM 1183 O MET A 81 67.132 -4.465 2.343 1.00 0.00 O ATOM 1184 CB MET A 81 68.251 -2.184 -0.077 1.00 0.00 C ATOM 1185 CG MET A 81 68.568 -2.163 -1.573 1.00 0.00 C ATOM 1186 SD MET A 81 69.202 -3.780 -2.083 1.00 0.00 S ATOM 1187 CE MET A 81 68.619 -3.723 -3.795 1.00 0.00 C ATOM 0 H MET A 81 66.036 -2.106 -0.968 1.00 0.00 H new ATOM 0 HA MET A 81 67.721 -4.302 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.799 -1.239 0.222 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.170 -2.294 0.498 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.671 -1.917 -2.142 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.304 -1.388 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.884 -4.512 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.160 -2.754 -3.991 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.461 -3.869 -4.471 1.00 0.00 H new ATOM 1197 N MET A 82 66.626 -2.328 2.326 1.00 0.00 N ATOM 1198 CA MET A 82 66.325 -2.336 3.789 1.00 0.00 C ATOM 1199 C MET A 82 65.304 -3.427 4.124 1.00 0.00 C ATOM 1200 O MET A 82 65.276 -3.944 5.223 1.00 0.00 O ATOM 1201 CB MET A 82 65.739 -0.953 4.097 1.00 0.00 C ATOM 1202 CG MET A 82 64.792 -0.522 2.973 1.00 0.00 C ATOM 1203 SD MET A 82 63.193 -0.049 3.677 1.00 0.00 S ATOM 1204 CE MET A 82 63.284 1.715 3.282 1.00 0.00 C ATOM 0 H MET A 82 66.507 -1.426 1.864 1.00 0.00 H new ATOM 0 HA MET A 82 67.218 -2.541 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 82 65.202 -0.980 5.045 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.543 -0.225 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.221 0.316 2.423 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.661 -1.337 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 82 62.278 2.132 3.246 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.863 2.230 4.049 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.766 1.847 2.313 1.00 0.00 H new ATOM 1214 N VAL A 83 64.461 -3.779 3.192 1.00 0.00 N ATOM 1215 CA VAL A 83 63.443 -4.830 3.473 1.00 0.00 C ATOM 1216 C VAL A 83 64.044 -6.221 3.274 1.00 0.00 C ATOM 1217 O VAL A 83 64.117 -7.010 4.196 1.00 0.00 O ATOM 1218 CB VAL A 83 62.322 -4.570 2.471 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.274 -5.679 2.578 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.672 -3.220 2.787 1.00 0.00 C ATOM 0 H VAL A 83 64.433 -3.386 2.251 1.00 0.00 H new ATOM 0 HA VAL A 83 63.083 -4.794 4.501 1.00 0.00 H new ATOM 0 HB VAL A 83 62.728 -4.555 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.473 -5.493 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.739 -6.641 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.862 -5.694 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.870 -3.027 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.263 -3.241 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.420 -2.430 2.714 1.00 0.00 H new ATOM 1230 N ARG A 84 64.482 -6.530 2.086 1.00 0.00 N ATOM 1231 CA ARG A 84 65.082 -7.872 1.848 1.00 0.00 C ATOM 1232 C ARG A 84 66.040 -8.213 2.991 1.00 0.00 C ATOM 1233 O ARG A 84 66.266 -9.365 3.306 1.00 0.00 O ATOM 1234 CB ARG A 84 65.835 -7.743 0.526 1.00 0.00 C ATOM 1235 CG ARG A 84 64.831 -7.549 -0.611 1.00 0.00 C ATOM 1236 CD ARG A 84 65.582 -7.239 -1.908 1.00 0.00 C ATOM 1237 NE ARG A 84 64.746 -7.835 -2.987 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.285 -8.644 -3.857 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.066 -8.171 -4.790 1.00 0.00 N ATOM 1240 NH2 ARG A 84 65.043 -9.925 -3.798 1.00 0.00 N ATOM 0 H ARG A 84 64.451 -5.915 1.273 1.00 0.00 H new ATOM 0 HA ARG A 84 64.336 -8.666 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.523 -6.898 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.436 -8.635 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.227 -8.448 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.147 -6.735 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.701 -6.165 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.582 -7.672 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 84 63.753 -7.611 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.254 -7.170 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 84 66.488 -8.803 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 84 64.431 -10.295 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 84 65.465 -10.556 -4.479 1.00 0.00 H new ATOM 1254 N GLN A 85 66.593 -7.215 3.625 1.00 0.00 N ATOM 1255 CA GLN A 85 67.523 -7.474 4.760 1.00 0.00 C ATOM 1256 C GLN A 85 66.715 -7.720 6.034 1.00 0.00 C ATOM 1257 O GLN A 85 67.029 -8.588 6.825 1.00 0.00 O ATOM 1258 CB GLN A 85 68.359 -6.200 4.893 1.00 0.00 C ATOM 1259 CG GLN A 85 69.366 -6.366 6.033 1.00 0.00 C ATOM 1260 CD GLN A 85 70.349 -7.487 5.690 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.193 -8.605 6.137 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.363 -7.232 4.909 1.00 0.00 N ATOM 0 H GLN A 85 66.441 -6.231 3.405 1.00 0.00 H new ATOM 0 HA GLN A 85 68.151 -8.350 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.882 -5.997 3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.711 -5.346 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.905 -5.433 6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.844 -6.597 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 85 71.494 -6.293 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 85 72.025 -7.972 4.674 1.00 0.00 H new ATOM 1271 N MET A 86 65.670 -6.964 6.235 1.00 0.00 N ATOM 1272 CA MET A 86 64.835 -7.154 7.454 1.00 0.00 C ATOM 1273 C MET A 86 64.002 -8.428 7.327 1.00 0.00 C ATOM 1274 O MET A 86 63.658 -9.054 8.307 1.00 0.00 O ATOM 1275 CB MET A 86 63.926 -5.929 7.513 1.00 0.00 C ATOM 1276 CG MET A 86 64.308 -5.071 8.719 1.00 0.00 C ATOM 1277 SD MET A 86 62.859 -4.843 9.779 1.00 0.00 S ATOM 1278 CE MET A 86 63.643 -5.313 11.341 1.00 0.00 C ATOM 0 H MET A 86 65.359 -6.223 5.607 1.00 0.00 H new ATOM 0 HA MET A 86 65.441 -7.254 8.355 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.020 -5.348 6.595 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.884 -6.239 7.589 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.111 -5.550 9.280 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.684 -4.104 8.386 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.915 -5.243 12.149 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.010 -6.337 11.270 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.477 -4.642 11.546 1.00 0.00 H new ATOM 1288 N LYS A 87 63.679 -8.826 6.128 1.00 0.00 N ATOM 1289 CA LYS A 87 62.875 -10.068 5.963 1.00 0.00 C ATOM 1290 C LYS A 87 63.503 -11.182 6.800 1.00 0.00 C ATOM 1291 O LYS A 87 62.829 -12.064 7.293 1.00 0.00 O ATOM 1292 CB LYS A 87 62.948 -10.395 4.470 1.00 0.00 C ATOM 1293 CG LYS A 87 61.754 -9.762 3.752 1.00 0.00 C ATOM 1294 CD LYS A 87 60.860 -10.861 3.179 1.00 0.00 C ATOM 1295 CE LYS A 87 60.259 -10.392 1.852 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.231 -9.383 2.231 1.00 0.00 N ATOM 0 H LYS A 87 63.934 -8.350 5.263 1.00 0.00 H new ATOM 0 HA LYS A 87 61.842 -9.956 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 87 63.881 -10.019 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 87 62.944 -11.475 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.186 -9.142 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.102 -9.108 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.439 -11.772 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.065 -11.103 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.021 -9.956 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 87 59.814 -11.223 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.649 -9.152 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 58.625 -9.770 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.701 -8.521 2.575 1.00 0.00 H new ATOM 1310 N GLU A 88 64.795 -11.131 6.974 1.00 0.00 N ATOM 1311 CA GLU A 88 65.485 -12.167 7.793 1.00 0.00 C ATOM 1312 C GLU A 88 65.739 -11.626 9.204 1.00 0.00 C ATOM 1313 O GLU A 88 65.684 -12.351 10.177 1.00 0.00 O ATOM 1314 CB GLU A 88 66.806 -12.427 7.072 1.00 0.00 C ATOM 1315 CG GLU A 88 66.658 -13.641 6.154 1.00 0.00 C ATOM 1316 CD GLU A 88 65.904 -13.234 4.886 1.00 0.00 C ATOM 1317 OE1 GLU A 88 65.571 -12.066 4.768 1.00 0.00 O ATOM 1318 OE2 GLU A 88 65.673 -14.097 4.055 1.00 0.00 O ATOM 0 H GLU A 88 65.405 -10.413 6.582 1.00 0.00 H new ATOM 0 HA GLU A 88 64.896 -13.078 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.093 -11.551 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.600 -12.602 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.640 -14.036 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.121 -14.437 6.670 1.00 0.00 H new ATOM 1325 N ASP A 89 66.021 -10.353 9.320 1.00 0.00 N ATOM 1326 CA ASP A 89 66.281 -9.764 10.665 1.00 0.00 C ATOM 1327 C ASP A 89 64.962 -9.536 11.410 1.00 0.00 C ATOM 1328 O ASP A 89 64.914 -9.546 12.623 1.00 0.00 O ATOM 1329 CB ASP A 89 66.973 -8.429 10.384 1.00 0.00 C ATOM 1330 CG ASP A 89 67.732 -7.975 11.631 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.102 -7.834 12.666 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.931 -7.775 11.530 1.00 0.00 O ATOM 0 H ASP A 89 66.082 -9.698 8.541 1.00 0.00 H new ATOM 0 HA ASP A 89 66.889 -10.418 11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.661 -8.533 9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.236 -7.678 10.101 1.00 0.00 H new ATOM 1337 N ALA A 90 63.894 -9.333 10.690 1.00 0.00 N ATOM 1338 CA ALA A 90 62.578 -9.104 11.353 1.00 0.00 C ATOM 1339 C ALA A 90 61.932 -10.442 11.723 1.00 0.00 C ATOM 1340 O ALA A 90 61.460 -10.561 12.843 1.00 0.00 O ATOM 1341 CB ALA A 90 61.733 -8.370 10.312 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.919 -11.325 10.881 1.00 0.00 O ATOM 0 H ALA A 90 63.875 -9.316 9.670 1.00 0.00 H new ATOM 0 HA ALA A 90 62.674 -8.533 12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.745 -8.164 10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.218 -7.431 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.632 -8.991 9.422 1.00 0.00 H new