USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= 0.0176 USER MOD Set 1.2: A 16 GLN : amide:sc= -2.18! C(o=-2.2!,f=-10!) USER MOD Single : A 1 MET CE :methyl -116:sc= -1.08 (180deg=-3.51!) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.296 (180deg=-1.83!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.697! USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.014) USER MOD Single : A 11 GLN : amide:sc= -0.764 K(o=-0.76,f=-2.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -2.5 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -138:sc= -0.132 (180deg=-2.3!) USER MOD Single : A 50 GLN : amide:sc= -1.48 K(o=-1.5,f=-5.2!) USER MOD Single : A 51 ASN : amide:sc= -0.609! C(o=-0.61!,f=-7!) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.604 USER MOD Single : A 58 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.4) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 145:sc= -3.47! (180deg=-7.11!) USER MOD Single : A 81 MET CE :methyl -150:sc= -0.875 (180deg=-2.49) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -155:sc= -0.594 (180deg=-1.38!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 90.187 4.610 5.760 1.00 0.00 N ATOM 2 CA MET A 1 89.015 5.533 5.673 1.00 0.00 C ATOM 3 C MET A 1 87.893 5.050 6.598 1.00 0.00 C ATOM 4 O MET A 1 87.997 4.017 7.229 1.00 0.00 O ATOM 5 CB MET A 1 88.563 5.480 4.212 1.00 0.00 C ATOM 6 CG MET A 1 89.685 6.002 3.312 1.00 0.00 C ATOM 7 SD MET A 1 89.654 7.811 3.295 1.00 0.00 S ATOM 8 CE MET A 1 90.845 8.071 4.632 1.00 0.00 C ATOM 0 H1 MET A 1 91.061 5.166 5.853 1.00 0.00 H new ATOM 0 H2 MET A 1 90.081 3.991 6.589 1.00 0.00 H new ATOM 0 H3 MET A 1 90.236 4.030 4.898 1.00 0.00 H new ATOM 0 HA MET A 1 89.270 6.547 5.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.307 4.457 3.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 87.664 6.081 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 90.650 5.648 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 89.563 5.616 2.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 90.350 8.563 5.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 91.241 7.109 4.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 91.662 8.698 4.275 1.00 0.00 H new ATOM 20 N ASP A 2 86.823 5.790 6.682 1.00 0.00 N ATOM 21 CA ASP A 2 85.696 5.374 7.566 1.00 0.00 C ATOM 22 C ASP A 2 84.503 4.917 6.722 1.00 0.00 C ATOM 23 O ASP A 2 83.367 4.990 7.145 1.00 0.00 O ATOM 24 CB ASP A 2 85.337 6.628 8.366 1.00 0.00 C ATOM 25 CG ASP A 2 86.574 7.128 9.114 1.00 0.00 C ATOM 26 OD1 ASP A 2 87.591 7.328 8.469 1.00 0.00 O ATOM 27 OD2 ASP A 2 86.484 7.304 10.318 1.00 0.00 O ATOM 0 H ASP A 2 86.679 6.665 6.177 1.00 0.00 H new ATOM 0 HA ASP A 2 85.965 4.540 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 2 84.965 7.404 7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 2 84.537 6.405 9.072 1.00 0.00 H new ATOM 32 N ASP A 3 84.754 4.447 5.531 1.00 0.00 N ATOM 33 CA ASP A 3 83.634 3.987 4.660 1.00 0.00 C ATOM 34 C ASP A 3 83.468 2.468 4.768 1.00 0.00 C ATOM 35 O ASP A 3 84.335 1.711 4.379 1.00 0.00 O ATOM 36 CB ASP A 3 84.049 4.382 3.242 1.00 0.00 C ATOM 37 CG ASP A 3 84.182 5.903 3.153 1.00 0.00 C ATOM 38 OD1 ASP A 3 85.150 6.426 3.683 1.00 0.00 O ATOM 39 OD2 ASP A 3 83.315 6.521 2.558 1.00 0.00 O ATOM 0 H ASP A 3 85.685 4.361 5.123 1.00 0.00 H new ATOM 0 HA ASP A 3 82.680 4.431 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 3 84.996 3.908 2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 3 83.309 4.029 2.524 1.00 0.00 H new ATOM 44 N ILE A 4 82.361 2.018 5.293 1.00 0.00 N ATOM 45 CA ILE A 4 82.142 0.548 5.423 1.00 0.00 C ATOM 46 C ILE A 4 81.088 0.082 4.415 1.00 0.00 C ATOM 47 O ILE A 4 80.979 -1.090 4.111 1.00 0.00 O ATOM 48 CB ILE A 4 81.645 0.347 6.856 1.00 0.00 C ATOM 49 CG1 ILE A 4 80.205 0.852 6.983 1.00 0.00 C ATOM 50 CG2 ILE A 4 82.537 1.133 7.815 1.00 0.00 C ATOM 51 CD1 ILE A 4 79.300 -0.295 7.436 1.00 0.00 C ATOM 0 H ILE A 4 81.600 2.603 5.637 1.00 0.00 H new ATOM 0 HA ILE A 4 83.047 -0.026 5.223 1.00 0.00 H new ATOM 0 HB ILE A 4 81.679 -0.714 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 4 80.158 1.672 7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 4 79.861 1.245 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 4 82.186 0.992 8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 4 83.564 0.776 7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 4 82.499 2.192 7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 4 78.275 0.064 7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 4 79.339 -1.100 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 4 79.641 -0.667 8.402 1.00 0.00 H new ATOM 63 N TYR A 5 80.314 0.993 3.895 1.00 0.00 N ATOM 64 CA TYR A 5 79.265 0.608 2.907 1.00 0.00 C ATOM 65 C TYR A 5 79.891 -0.158 1.738 1.00 0.00 C ATOM 66 O TYR A 5 79.254 -0.981 1.111 1.00 0.00 O ATOM 67 CB TYR A 5 78.674 1.934 2.423 1.00 0.00 C ATOM 68 CG TYR A 5 78.219 2.761 3.605 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.030 2.162 4.859 1.00 0.00 C ATOM 70 CD2 TYR A 5 77.982 4.133 3.445 1.00 0.00 C ATOM 71 CE1 TYR A 5 77.604 2.934 5.947 1.00 0.00 C ATOM 72 CE2 TYR A 5 77.558 4.903 4.534 1.00 0.00 C ATOM 73 CZ TYR A 5 77.368 4.304 5.784 1.00 0.00 C ATOM 74 OH TYR A 5 76.948 5.062 6.858 1.00 0.00 O ATOM 0 H TYR A 5 80.362 1.989 4.111 1.00 0.00 H new ATOM 0 HA TYR A 5 78.507 -0.044 3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.419 2.485 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 5 77.833 1.745 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 5 78.213 1.105 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 5 78.127 4.597 2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.458 2.472 6.912 1.00 0.00 H new ATOM 0 HE2 TYR A 5 77.377 5.960 4.409 1.00 0.00 H new ATOM 0 HH TYR A 5 76.832 5.993 6.576 1.00 0.00 H new ATOM 84 N LYS A 6 81.134 0.107 1.440 1.00 0.00 N ATOM 85 CA LYS A 6 81.798 -0.604 0.310 1.00 0.00 C ATOM 86 C LYS A 6 81.711 -2.120 0.508 1.00 0.00 C ATOM 87 O LYS A 6 81.300 -2.848 -0.373 1.00 0.00 O ATOM 88 CB LYS A 6 83.255 -0.142 0.353 1.00 0.00 C ATOM 89 CG LYS A 6 83.737 0.155 -1.068 1.00 0.00 C ATOM 90 CD LYS A 6 83.495 1.630 -1.393 1.00 0.00 C ATOM 91 CE LYS A 6 83.091 1.770 -2.862 1.00 0.00 C ATOM 92 NZ LYS A 6 81.611 1.604 -2.870 1.00 0.00 N ATOM 0 H LYS A 6 81.718 0.785 1.930 1.00 0.00 H new ATOM 0 HA LYS A 6 81.326 -0.383 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 6 83.347 0.749 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.879 -0.912 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 6 84.798 -0.079 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 6 83.208 -0.477 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 6 82.712 2.031 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 6 84.397 2.209 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 6 83.382 2.742 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 6 83.577 1.014 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 81.250 1.754 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 81.368 0.643 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 81.180 2.298 -2.227 1.00 0.00 H new ATOM 106 N ALA A 7 82.097 -2.602 1.658 1.00 0.00 N ATOM 107 CA ALA A 7 82.038 -4.072 1.907 1.00 0.00 C ATOM 108 C ALA A 7 80.583 -4.548 1.939 1.00 0.00 C ATOM 109 O ALA A 7 80.284 -5.680 1.616 1.00 0.00 O ATOM 110 CB ALA A 7 82.696 -4.269 3.274 1.00 0.00 C ATOM 0 H ALA A 7 82.450 -2.043 2.435 1.00 0.00 H new ATOM 0 HA ALA A 7 82.540 -4.642 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.692 -5.328 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.724 -3.908 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.142 -3.711 4.028 1.00 0.00 H new ATOM 116 N ALA A 8 79.676 -3.694 2.326 1.00 0.00 N ATOM 117 CA ALA A 8 78.242 -4.103 2.379 1.00 0.00 C ATOM 118 C ALA A 8 77.816 -4.724 1.046 1.00 0.00 C ATOM 119 O ALA A 8 77.293 -5.819 1.000 1.00 0.00 O ATOM 120 CB ALA A 8 77.470 -2.809 2.637 1.00 0.00 C ATOM 0 H ALA A 8 79.864 -2.732 2.608 1.00 0.00 H new ATOM 0 HA ALA A 8 78.056 -4.851 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.403 -3.026 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.798 -2.371 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.657 -2.106 1.826 1.00 0.00 H new ATOM 126 N VAL A 9 78.029 -4.030 -0.037 1.00 0.00 N ATOM 127 CA VAL A 9 77.631 -4.579 -1.366 1.00 0.00 C ATOM 128 C VAL A 9 78.392 -5.876 -1.658 1.00 0.00 C ATOM 129 O VAL A 9 77.821 -6.856 -2.093 1.00 0.00 O ATOM 130 CB VAL A 9 78.015 -3.494 -2.371 1.00 0.00 C ATOM 131 CG1 VAL A 9 77.388 -3.811 -3.729 1.00 0.00 C ATOM 132 CG2 VAL A 9 77.501 -2.139 -1.877 1.00 0.00 C ATOM 0 H VAL A 9 78.461 -3.106 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 9 76.569 -4.821 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 9 79.100 -3.459 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 9 77.662 -3.037 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 9 77.751 -4.777 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 9 76.303 -3.846 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 9 77.774 -1.363 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 9 76.416 -2.176 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 9 77.947 -1.912 -0.908 1.00 0.00 H new ATOM 142 N GLU A 10 79.676 -5.888 -1.427 1.00 0.00 N ATOM 143 CA GLU A 10 80.471 -7.120 -1.695 1.00 0.00 C ATOM 144 C GLU A 10 79.941 -8.290 -0.860 1.00 0.00 C ATOM 145 O GLU A 10 79.789 -9.392 -1.347 1.00 0.00 O ATOM 146 CB GLU A 10 81.899 -6.768 -1.278 1.00 0.00 C ATOM 147 CG GLU A 10 82.587 -6.001 -2.408 1.00 0.00 C ATOM 148 CD GLU A 10 82.643 -6.877 -3.660 1.00 0.00 C ATOM 149 OE1 GLU A 10 83.408 -7.828 -3.659 1.00 0.00 O ATOM 150 OE2 GLU A 10 81.919 -6.586 -4.597 1.00 0.00 O ATOM 0 H GLU A 10 80.209 -5.098 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 10 80.414 -7.427 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.886 -6.165 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.456 -7.676 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.044 -5.080 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.595 -5.715 -2.106 1.00 0.00 H new ATOM 157 N GLN A 11 79.664 -8.061 0.394 1.00 0.00 N ATOM 158 CA GLN A 11 79.149 -9.163 1.258 1.00 0.00 C ATOM 159 C GLN A 11 77.858 -9.742 0.671 1.00 0.00 C ATOM 160 O GLN A 11 77.538 -10.896 0.872 1.00 0.00 O ATOM 161 CB GLN A 11 78.876 -8.509 2.613 1.00 0.00 C ATOM 162 CG GLN A 11 80.069 -8.742 3.543 1.00 0.00 C ATOM 163 CD GLN A 11 80.210 -7.557 4.500 1.00 0.00 C ATOM 164 OE1 GLN A 11 81.050 -6.701 4.306 1.00 0.00 O ATOM 165 NE2 GLN A 11 79.416 -7.471 5.533 1.00 0.00 N ATOM 0 H GLN A 11 79.772 -7.159 0.859 1.00 0.00 H new ATOM 0 HA GLN A 11 79.857 -9.988 1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.705 -7.440 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 11 77.971 -8.926 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 11 79.929 -9.664 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.981 -8.861 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 11 78.711 -8.190 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 11 79.501 -6.685 6.177 1.00 0.00 H new ATOM 174 N LEU A 12 77.116 -8.951 -0.052 1.00 0.00 N ATOM 175 CA LEU A 12 75.846 -9.459 -0.648 1.00 0.00 C ATOM 176 C LEU A 12 76.137 -10.242 -1.931 1.00 0.00 C ATOM 177 O LEU A 12 76.825 -9.770 -2.814 1.00 0.00 O ATOM 178 CB LEU A 12 75.026 -8.207 -0.957 1.00 0.00 C ATOM 179 CG LEU A 12 74.812 -7.407 0.330 1.00 0.00 C ATOM 180 CD1 LEU A 12 74.192 -6.051 -0.009 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.871 -8.178 1.258 1.00 0.00 C ATOM 0 H LEU A 12 77.332 -7.975 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 12 75.318 -10.137 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.542 -7.595 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.065 -8.486 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 12 75.770 -7.255 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 74.040 -5.481 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.860 -5.501 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 12 73.234 -6.203 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.718 -7.609 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.913 -8.329 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.311 -9.145 1.500 1.00 0.00 H new ATOM 193 N THR A 13 75.614 -11.433 -2.042 1.00 0.00 N ATOM 194 CA THR A 13 75.857 -12.244 -3.270 1.00 0.00 C ATOM 195 C THR A 13 74.679 -12.103 -4.237 1.00 0.00 C ATOM 196 O THR A 13 73.600 -11.692 -3.860 1.00 0.00 O ATOM 197 CB THR A 13 75.977 -13.688 -2.775 1.00 0.00 C ATOM 198 OG1 THR A 13 74.999 -13.924 -1.771 1.00 0.00 O ATOM 199 CG2 THR A 13 77.374 -13.916 -2.194 1.00 0.00 C ATOM 0 H THR A 13 75.029 -11.880 -1.336 1.00 0.00 H new ATOM 0 HA THR A 13 76.749 -11.923 -3.808 1.00 0.00 H new ATOM 0 HB THR A 13 75.817 -14.373 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 13 75.073 -14.848 -1.453 1.00 0.00 H new ATOM 0 HG21 THR A 13 77.458 -14.944 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 13 78.123 -13.734 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.537 -13.233 -1.361 1.00 0.00 H new ATOM 207 N GLU A 14 74.877 -12.439 -5.484 1.00 0.00 N ATOM 208 CA GLU A 14 73.767 -12.320 -6.472 1.00 0.00 C ATOM 209 C GLU A 14 72.588 -13.204 -6.056 1.00 0.00 C ATOM 210 O GLU A 14 71.493 -13.072 -6.563 1.00 0.00 O ATOM 211 CB GLU A 14 74.358 -12.802 -7.797 1.00 0.00 C ATOM 212 CG GLU A 14 73.908 -11.873 -8.926 1.00 0.00 C ATOM 213 CD GLU A 14 75.037 -11.723 -9.948 1.00 0.00 C ATOM 214 OE1 GLU A 14 76.179 -11.631 -9.530 1.00 0.00 O ATOM 215 OE2 GLU A 14 74.740 -11.703 -11.131 1.00 0.00 O ATOM 0 H GLU A 14 75.758 -12.790 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 14 73.388 -11.300 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.446 -12.818 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 14 74.035 -13.823 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 14 73.018 -12.276 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 14 73.638 -10.897 -8.522 1.00 0.00 H new ATOM 222 N GLU A 15 72.803 -14.103 -5.135 1.00 0.00 N ATOM 223 CA GLU A 15 71.692 -14.991 -4.689 1.00 0.00 C ATOM 224 C GLU A 15 70.729 -14.217 -3.785 1.00 0.00 C ATOM 225 O GLU A 15 69.527 -14.265 -3.956 1.00 0.00 O ATOM 226 CB GLU A 15 72.371 -16.118 -3.910 1.00 0.00 C ATOM 227 CG GLU A 15 71.500 -17.375 -3.963 1.00 0.00 C ATOM 228 CD GLU A 15 71.804 -18.260 -2.754 1.00 0.00 C ATOM 229 OE1 GLU A 15 71.686 -17.772 -1.643 1.00 0.00 O ATOM 230 OE2 GLU A 15 72.151 -19.412 -2.960 1.00 0.00 O ATOM 0 H GLU A 15 73.698 -14.261 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 15 71.106 -15.372 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 15 73.354 -16.326 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 15 72.528 -15.815 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 15 70.445 -17.099 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 15 71.691 -17.924 -4.885 1.00 0.00 H new ATOM 237 N GLN A 16 71.248 -13.501 -2.825 1.00 0.00 N ATOM 238 CA GLN A 16 70.360 -12.723 -1.914 1.00 0.00 C ATOM 239 C GLN A 16 70.022 -11.366 -2.536 1.00 0.00 C ATOM 240 O GLN A 16 68.934 -10.851 -2.374 1.00 0.00 O ATOM 241 CB GLN A 16 71.170 -12.541 -0.631 1.00 0.00 C ATOM 242 CG GLN A 16 72.360 -11.620 -0.904 1.00 0.00 C ATOM 243 CD GLN A 16 73.339 -11.692 0.270 1.00 0.00 C ATOM 244 OE1 GLN A 16 74.496 -12.015 0.092 1.00 0.00 O ATOM 245 NE2 GLN A 16 72.920 -11.404 1.472 1.00 0.00 N ATOM 0 H GLN A 16 72.246 -13.421 -2.632 1.00 0.00 H new ATOM 0 HA GLN A 16 69.413 -13.230 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 16 70.541 -12.117 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.520 -13.508 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 16 72.859 -11.916 -1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.016 -10.595 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 16 71.948 -11.133 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 16 73.564 -11.450 2.261 1.00 0.00 H new ATOM 254 N LYS A 17 70.949 -10.781 -3.245 1.00 0.00 N ATOM 255 CA LYS A 17 70.682 -9.457 -3.876 1.00 0.00 C ATOM 256 C LYS A 17 69.540 -9.574 -4.891 1.00 0.00 C ATOM 257 O LYS A 17 68.748 -8.667 -5.055 1.00 0.00 O ATOM 258 CB LYS A 17 71.988 -9.082 -4.577 1.00 0.00 C ATOM 259 CG LYS A 17 72.492 -7.742 -4.037 1.00 0.00 C ATOM 260 CD LYS A 17 73.050 -6.903 -5.188 1.00 0.00 C ATOM 261 CE LYS A 17 74.133 -7.697 -5.921 1.00 0.00 C ATOM 262 NZ LYS A 17 73.859 -7.476 -7.369 1.00 0.00 N ATOM 0 H LYS A 17 71.880 -11.163 -3.415 1.00 0.00 H new ATOM 0 HA LYS A 17 70.381 -8.705 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.737 -9.857 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.829 -9.016 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.679 -7.208 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.265 -7.908 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 17 72.250 -6.636 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.465 -5.971 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.130 -7.348 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 17 74.086 -8.756 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 74.562 -7.990 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 72.906 -7.824 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 73.918 -6.460 -7.582 1.00 0.00 H new ATOM 276 N ASN A 18 69.449 -10.684 -5.572 1.00 0.00 N ATOM 277 CA ASN A 18 68.360 -10.857 -6.576 1.00 0.00 C ATOM 278 C ASN A 18 67.000 -10.557 -5.938 1.00 0.00 C ATOM 279 O ASN A 18 66.087 -10.092 -6.592 1.00 0.00 O ATOM 280 CB ASN A 18 68.442 -12.325 -6.999 1.00 0.00 C ATOM 281 CG ASN A 18 69.218 -12.436 -8.311 1.00 0.00 C ATOM 282 OD1 ASN A 18 69.856 -11.494 -8.736 1.00 0.00 O ATOM 283 ND2 ASN A 18 69.192 -13.559 -8.976 1.00 0.00 N ATOM 0 H ASN A 18 70.081 -11.479 -5.477 1.00 0.00 H new ATOM 0 HA ASN A 18 68.468 -10.181 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.934 -12.911 -6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 18 67.440 -12.736 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 18 69.707 -13.645 -9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 18 68.656 -14.350 -8.620 1.00 0.00 H new ATOM 290 N GLU A 19 66.858 -10.821 -4.668 1.00 0.00 N ATOM 291 CA GLU A 19 65.556 -10.550 -3.993 1.00 0.00 C ATOM 292 C GLU A 19 65.322 -9.041 -3.881 1.00 0.00 C ATOM 293 O GLU A 19 64.206 -8.568 -3.971 1.00 0.00 O ATOM 294 CB GLU A 19 65.691 -11.175 -2.604 1.00 0.00 C ATOM 295 CG GLU A 19 65.069 -12.573 -2.607 1.00 0.00 C ATOM 296 CD GLU A 19 65.707 -13.419 -1.503 1.00 0.00 C ATOM 297 OE1 GLU A 19 66.367 -12.844 -0.652 1.00 0.00 O ATOM 298 OE2 GLU A 19 65.526 -14.624 -1.528 1.00 0.00 O ATOM 0 H GLU A 19 67.585 -11.212 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 19 64.712 -10.963 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.742 -11.234 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.197 -10.548 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 63.993 -12.504 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 19 65.220 -13.048 -3.577 1.00 0.00 H new ATOM 305 N PHE A 20 66.366 -8.284 -3.685 1.00 0.00 N ATOM 306 CA PHE A 20 66.204 -6.806 -3.567 1.00 0.00 C ATOM 307 C PHE A 20 65.977 -6.186 -4.948 1.00 0.00 C ATOM 308 O PHE A 20 65.194 -5.270 -5.107 1.00 0.00 O ATOM 309 CB PHE A 20 67.518 -6.311 -2.966 1.00 0.00 C ATOM 310 CG PHE A 20 67.449 -6.398 -1.462 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.339 -5.881 -0.781 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.492 -6.997 -0.745 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.275 -5.963 0.615 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.426 -7.080 0.650 1.00 0.00 C ATOM 315 CZ PHE A 20 67.318 -6.562 1.330 1.00 0.00 C ATOM 0 H PHE A 20 67.324 -8.624 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 20 65.346 -6.532 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.349 -6.911 -3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.706 -5.282 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.533 -5.420 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.348 -7.395 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.420 -5.564 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.230 -7.544 1.202 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.268 -6.625 2.407 1.00 0.00 H new ATOM 325 N LYS A 21 66.655 -6.679 -5.948 1.00 0.00 N ATOM 326 CA LYS A 21 66.475 -6.116 -7.317 1.00 0.00 C ATOM 327 C LYS A 21 64.999 -6.180 -7.720 1.00 0.00 C ATOM 328 O LYS A 21 64.452 -5.239 -8.259 1.00 0.00 O ATOM 329 CB LYS A 21 67.322 -7.008 -8.227 1.00 0.00 C ATOM 330 CG LYS A 21 66.916 -6.783 -9.685 1.00 0.00 C ATOM 331 CD LYS A 21 67.994 -7.354 -10.609 1.00 0.00 C ATOM 332 CE LYS A 21 68.680 -6.212 -11.363 1.00 0.00 C ATOM 333 NZ LYS A 21 69.491 -6.880 -12.418 1.00 0.00 N ATOM 0 H LYS A 21 67.324 -7.445 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 21 66.777 -5.071 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 21 68.380 -6.781 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 21 67.184 -8.055 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.958 -7.264 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 21 66.784 -5.718 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 21 68.728 -7.912 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 21 67.548 -8.054 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 67.949 -5.531 -11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 21 69.308 -5.621 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 69.992 -6.161 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 70.183 -7.516 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 68.865 -7.430 -13.041 1.00 0.00 H new ATOM 347 N ALA A 22 64.353 -7.283 -7.459 1.00 0.00 N ATOM 348 CA ALA A 22 62.913 -7.406 -7.824 1.00 0.00 C ATOM 349 C ALA A 22 62.065 -6.479 -6.949 1.00 0.00 C ATOM 350 O ALA A 22 61.305 -5.669 -7.441 1.00 0.00 O ATOM 351 CB ALA A 22 62.561 -8.870 -7.552 1.00 0.00 C ATOM 0 H ALA A 22 64.759 -8.104 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 22 62.723 -7.126 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.513 -9.044 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 22 63.189 -9.515 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.730 -9.095 -6.499 1.00 0.00 H new ATOM 357 N ALA A 23 62.190 -6.593 -5.654 1.00 0.00 N ATOM 358 CA ALA A 23 61.389 -5.718 -4.747 1.00 0.00 C ATOM 359 C ALA A 23 61.642 -4.243 -5.068 1.00 0.00 C ATOM 360 O ALA A 23 60.896 -3.372 -4.665 1.00 0.00 O ATOM 361 CB ALA A 23 61.885 -6.052 -3.339 1.00 0.00 C ATOM 0 H ALA A 23 62.811 -7.253 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 23 60.317 -5.885 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.344 -5.449 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.714 -7.109 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.951 -5.837 -3.268 1.00 0.00 H new ATOM 367 N PHE A 24 62.692 -3.955 -5.786 1.00 0.00 N ATOM 368 CA PHE A 24 62.999 -2.540 -6.127 1.00 0.00 C ATOM 369 C PHE A 24 62.109 -2.056 -7.277 1.00 0.00 C ATOM 370 O PHE A 24 61.348 -1.119 -7.132 1.00 0.00 O ATOM 371 CB PHE A 24 64.465 -2.557 -6.554 1.00 0.00 C ATOM 372 CG PHE A 24 64.971 -1.142 -6.666 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.589 -0.348 -7.752 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.823 -0.625 -5.686 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.058 0.965 -7.858 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.294 0.688 -5.789 1.00 0.00 C ATOM 377 CZ PHE A 24 65.911 1.485 -6.876 1.00 0.00 C ATOM 0 H PHE A 24 63.352 -4.642 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 24 62.818 -1.865 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 24 65.060 -3.111 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.571 -3.069 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 24 63.931 -0.749 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.118 -1.240 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 24 64.763 1.578 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.952 1.087 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.273 2.499 -6.957 1.00 0.00 H new ATOM 387 N ASP A 25 62.202 -2.679 -8.420 1.00 0.00 N ATOM 388 CA ASP A 25 61.365 -2.247 -9.578 1.00 0.00 C ATOM 389 C ASP A 25 59.878 -2.296 -9.217 1.00 0.00 C ATOM 390 O ASP A 25 59.075 -1.567 -9.764 1.00 0.00 O ATOM 391 CB ASP A 25 61.682 -3.246 -10.691 1.00 0.00 C ATOM 392 CG ASP A 25 63.183 -3.224 -10.984 1.00 0.00 C ATOM 393 OD1 ASP A 25 63.724 -2.139 -11.117 1.00 0.00 O ATOM 394 OD2 ASP A 25 63.765 -4.293 -11.070 1.00 0.00 O ATOM 0 H ASP A 25 62.821 -3.469 -8.603 1.00 0.00 H new ATOM 0 HA ASP A 25 61.579 -1.221 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 25 61.373 -4.248 -10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.121 -2.994 -11.591 1.00 0.00 H new ATOM 399 N ILE A 26 59.503 -3.145 -8.302 1.00 0.00 N ATOM 400 CA ILE A 26 58.066 -3.223 -7.915 1.00 0.00 C ATOM 401 C ILE A 26 57.626 -1.895 -7.288 1.00 0.00 C ATOM 402 O ILE A 26 56.454 -1.576 -7.240 1.00 0.00 O ATOM 403 CB ILE A 26 57.993 -4.361 -6.900 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.223 -5.691 -7.624 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.613 -4.378 -6.236 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.828 -6.849 -6.709 1.00 0.00 C ATOM 0 H ILE A 26 60.125 -3.785 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 26 57.409 -3.404 -8.765 1.00 0.00 H new ATOM 0 HB ILE A 26 58.756 -4.216 -6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 26 57.636 -5.723 -8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.270 -5.783 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.567 -5.192 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.443 -3.430 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 26 55.845 -4.524 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 26 57.993 -7.794 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.434 -6.821 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.775 -6.760 -6.443 1.00 0.00 H new ATOM 418 N PHE A 27 58.559 -1.115 -6.810 1.00 0.00 N ATOM 419 CA PHE A 27 58.190 0.190 -6.189 1.00 0.00 C ATOM 420 C PHE A 27 59.136 1.303 -6.655 1.00 0.00 C ATOM 421 O PHE A 27 59.793 1.945 -5.859 1.00 0.00 O ATOM 422 CB PHE A 27 58.333 -0.037 -4.684 1.00 0.00 C ATOM 423 CG PHE A 27 57.135 -0.803 -4.177 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.959 -0.121 -3.843 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.199 -2.194 -4.042 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.846 -0.831 -3.374 1.00 0.00 C ATOM 427 CE2 PHE A 27 56.087 -2.904 -3.572 1.00 0.00 C ATOM 428 CZ PHE A 27 54.911 -2.222 -3.238 1.00 0.00 C ATOM 0 H PHE A 27 59.557 -1.324 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 27 57.183 0.503 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.248 -0.591 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 27 58.413 0.919 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.910 0.953 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 27 58.106 -2.720 -4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.938 -0.305 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 27 56.137 -3.978 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.054 -2.770 -2.875 1.00 0.00 H new ATOM 438 N VAL A 28 59.201 1.547 -7.937 1.00 0.00 N ATOM 439 CA VAL A 28 60.089 2.627 -8.450 1.00 0.00 C ATOM 440 C VAL A 28 59.238 3.791 -8.957 1.00 0.00 C ATOM 441 O VAL A 28 59.746 4.810 -9.383 1.00 0.00 O ATOM 442 CB VAL A 28 60.891 2.024 -9.616 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.350 1.849 -9.198 1.00 0.00 C ATOM 444 CG2 VAL A 28 60.320 0.668 -10.045 1.00 0.00 C ATOM 0 H VAL A 28 58.676 1.043 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 28 60.751 3.000 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 28 60.822 2.708 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.917 1.422 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.771 2.819 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.405 1.182 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 28 60.910 0.270 -10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 28 60.358 -0.025 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.286 0.794 -10.365 1.00 0.00 H new ATOM 454 N LEU A 29 57.949 3.633 -8.912 1.00 0.00 N ATOM 455 CA LEU A 29 57.028 4.703 -9.388 1.00 0.00 C ATOM 456 C LEU A 29 57.601 5.399 -10.630 1.00 0.00 C ATOM 457 O LEU A 29 57.430 4.939 -11.741 1.00 0.00 O ATOM 458 CB LEU A 29 56.910 5.683 -8.219 1.00 0.00 C ATOM 459 CG LEU A 29 55.697 5.315 -7.362 1.00 0.00 C ATOM 460 CD1 LEU A 29 56.082 5.360 -5.882 1.00 0.00 C ATOM 461 CD2 LEU A 29 54.567 6.312 -7.623 1.00 0.00 C ATOM 0 H LEU A 29 57.485 2.796 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 29 56.057 4.304 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 29 57.817 5.655 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 29 56.808 6.701 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 29 55.364 4.310 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 29 55.217 5.098 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 29 56.887 4.650 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 56.417 6.365 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 29 53.703 6.050 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 54.902 7.317 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 29 54.290 6.280 -8.677 1.00 0.00 H new ATOM 473 N GLY A 30 58.279 6.501 -10.452 1.00 0.00 N ATOM 474 CA GLY A 30 58.855 7.214 -11.627 1.00 0.00 C ATOM 475 C GLY A 30 60.142 7.929 -11.212 1.00 0.00 C ATOM 476 O GLY A 30 60.173 8.661 -10.242 1.00 0.00 O ATOM 0 H GLY A 30 58.458 6.936 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 30 59.063 6.506 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 30 58.136 7.935 -12.016 1.00 0.00 H new ATOM 480 N ALA A 31 61.205 7.723 -11.938 1.00 0.00 N ATOM 481 CA ALA A 31 62.491 8.390 -11.585 1.00 0.00 C ATOM 482 C ALA A 31 63.467 8.311 -12.762 1.00 0.00 C ATOM 483 O ALA A 31 63.104 7.931 -13.857 1.00 0.00 O ATOM 484 CB ALA A 31 63.028 7.602 -10.392 1.00 0.00 C ATOM 0 H ALA A 31 61.240 7.122 -12.761 1.00 0.00 H new ATOM 0 HA ALA A 31 62.359 9.446 -11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 31 63.977 8.031 -10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 31 62.311 7.650 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.180 6.562 -10.681 1.00 0.00 H new ATOM 490 N GLU A 32 64.705 8.663 -12.544 1.00 0.00 N ATOM 491 CA GLU A 32 65.701 8.604 -13.653 1.00 0.00 C ATOM 492 C GLU A 32 65.555 7.288 -14.421 1.00 0.00 C ATOM 493 O GLU A 32 65.306 7.277 -15.610 1.00 0.00 O ATOM 494 CB GLU A 32 67.064 8.674 -12.967 1.00 0.00 C ATOM 495 CG GLU A 32 68.169 8.484 -14.007 1.00 0.00 C ATOM 496 CD GLU A 32 68.836 9.831 -14.295 1.00 0.00 C ATOM 497 OE1 GLU A 32 68.117 10.798 -14.478 1.00 0.00 O ATOM 498 OE2 GLU A 32 70.055 9.870 -14.326 1.00 0.00 O ATOM 0 H GLU A 32 65.070 8.988 -11.649 1.00 0.00 H new ATOM 0 HA GLU A 32 65.566 9.411 -14.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 67.182 9.635 -12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 32 67.136 7.904 -12.199 1.00 0.00 H new ATOM 0 HG2 GLU A 32 68.908 7.771 -13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 32 67.752 8.069 -14.925 1.00 0.00 H new ATOM 505 N ASP A 33 65.706 6.180 -13.749 1.00 0.00 N ATOM 506 CA ASP A 33 65.575 4.865 -14.440 1.00 0.00 C ATOM 507 C ASP A 33 65.829 3.721 -13.454 1.00 0.00 C ATOM 508 O ASP A 33 66.421 2.716 -13.798 1.00 0.00 O ATOM 509 CB ASP A 33 66.646 4.881 -15.531 1.00 0.00 C ATOM 510 CG ASP A 33 66.123 4.152 -16.770 1.00 0.00 C ATOM 511 OD1 ASP A 33 65.555 3.084 -16.608 1.00 0.00 O ATOM 512 OD2 ASP A 33 66.299 4.673 -17.858 1.00 0.00 O ATOM 0 H ASP A 33 65.914 6.128 -12.752 1.00 0.00 H new ATOM 0 HA ASP A 33 64.577 4.713 -14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 33 66.907 5.909 -15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 33 67.555 4.400 -15.170 1.00 0.00 H new ATOM 517 N GLY A 34 65.386 3.861 -12.235 1.00 0.00 N ATOM 518 CA GLY A 34 65.603 2.777 -11.236 1.00 0.00 C ATOM 519 C GLY A 34 65.728 3.379 -9.834 1.00 0.00 C ATOM 520 O GLY A 34 66.542 2.957 -9.038 1.00 0.00 O ATOM 0 H GLY A 34 64.884 4.678 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.773 2.071 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.505 2.218 -11.483 1.00 0.00 H new ATOM 524 N CYS A 35 64.925 4.360 -9.522 1.00 0.00 N ATOM 525 CA CYS A 35 65.000 4.981 -8.167 1.00 0.00 C ATOM 526 C CYS A 35 63.617 4.971 -7.506 1.00 0.00 C ATOM 527 O CYS A 35 62.603 5.049 -8.170 1.00 0.00 O ATOM 528 CB CYS A 35 65.470 6.417 -8.404 1.00 0.00 C ATOM 529 SG CYS A 35 66.880 6.414 -9.540 1.00 0.00 S ATOM 0 H CYS A 35 64.222 4.758 -10.144 1.00 0.00 H new ATOM 0 HA CYS A 35 65.676 4.440 -7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.657 7.013 -8.819 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.753 6.879 -7.458 1.00 0.00 H new ATOM 0 HG CYS A 35 67.277 7.635 -9.742 1.00 0.00 H new ATOM 535 N ILE A 36 63.570 4.872 -6.205 1.00 0.00 N ATOM 536 CA ILE A 36 62.252 4.854 -5.506 1.00 0.00 C ATOM 537 C ILE A 36 62.091 6.110 -4.642 1.00 0.00 C ATOM 538 O ILE A 36 63.013 6.885 -4.478 1.00 0.00 O ATOM 539 CB ILE A 36 62.287 3.602 -4.629 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.386 3.751 -3.574 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.581 2.377 -5.498 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.318 2.576 -2.595 1.00 0.00 C ATOM 0 H ILE A 36 64.386 4.803 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 36 61.415 4.841 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 36 61.322 3.476 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.364 3.782 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.265 4.692 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.606 1.485 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.801 2.270 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.546 2.503 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.101 2.682 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.344 2.566 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.461 1.642 -3.138 1.00 0.00 H new ATOM 554 N SER A 37 60.926 6.316 -4.088 1.00 0.00 N ATOM 555 CA SER A 37 60.706 7.521 -3.234 1.00 0.00 C ATOM 556 C SER A 37 61.084 7.218 -1.782 1.00 0.00 C ATOM 557 O SER A 37 60.683 6.216 -1.223 1.00 0.00 O ATOM 558 CB SER A 37 59.211 7.818 -3.347 1.00 0.00 C ATOM 559 OG SER A 37 59.003 9.221 -3.268 1.00 0.00 O ATOM 0 H SER A 37 60.117 5.703 -4.189 1.00 0.00 H new ATOM 0 HA SER A 37 61.316 8.367 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 58.823 7.434 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 37 58.667 7.313 -2.549 1.00 0.00 H new ATOM 0 HG SER A 37 58.045 9.414 -3.342 1.00 0.00 H new ATOM 565 N THR A 38 61.852 8.074 -1.166 1.00 0.00 N ATOM 566 CA THR A 38 62.253 7.833 0.250 1.00 0.00 C ATOM 567 C THR A 38 61.049 7.358 1.067 1.00 0.00 C ATOM 568 O THR A 38 61.157 6.475 1.895 1.00 0.00 O ATOM 569 CB THR A 38 62.746 9.188 0.761 1.00 0.00 C ATOM 570 OG1 THR A 38 61.734 10.165 0.560 1.00 0.00 O ATOM 571 CG2 THR A 38 64.010 9.594 0.001 1.00 0.00 C ATOM 0 H THR A 38 62.219 8.930 -1.581 1.00 0.00 H new ATOM 0 HA THR A 38 63.019 7.063 0.335 1.00 0.00 H new ATOM 0 HB THR A 38 62.974 9.114 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.048 11.033 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.360 10.560 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.785 8.844 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.787 9.668 -1.063 1.00 0.00 H new ATOM 579 N LYS A 39 59.901 7.936 0.840 1.00 0.00 N ATOM 580 CA LYS A 39 58.690 7.517 1.603 1.00 0.00 C ATOM 581 C LYS A 39 58.184 6.165 1.093 1.00 0.00 C ATOM 582 O LYS A 39 57.532 5.428 1.804 1.00 0.00 O ATOM 583 CB LYS A 39 57.657 8.612 1.334 1.00 0.00 C ATOM 584 CG LYS A 39 58.219 9.965 1.771 1.00 0.00 C ATOM 585 CD LYS A 39 57.426 11.088 1.100 1.00 0.00 C ATOM 586 CE LYS A 39 58.351 11.892 0.184 1.00 0.00 C ATOM 587 NZ LYS A 39 57.438 12.659 -0.707 1.00 0.00 N ATOM 0 H LYS A 39 59.749 8.680 0.159 1.00 0.00 H new ATOM 0 HA LYS A 39 58.892 7.398 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.406 8.636 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.735 8.398 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.161 10.062 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.272 10.038 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.600 10.670 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 39 56.989 11.740 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 58.994 12.559 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 39 59.005 11.236 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.999 13.236 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.843 11.998 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.833 13.280 -0.132 1.00 0.00 H new ATOM 601 N GLU A 40 58.481 5.835 -0.135 1.00 0.00 N ATOM 602 CA GLU A 40 58.018 4.530 -0.689 1.00 0.00 C ATOM 603 C GLU A 40 58.941 3.400 -0.223 1.00 0.00 C ATOM 604 O GLU A 40 58.516 2.279 -0.026 1.00 0.00 O ATOM 605 CB GLU A 40 58.094 4.696 -2.207 1.00 0.00 C ATOM 606 CG GLU A 40 56.920 5.554 -2.686 1.00 0.00 C ATOM 607 CD GLU A 40 55.718 4.655 -2.981 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.934 3.524 -3.385 1.00 0.00 O ATOM 609 OE2 GLU A 40 54.603 5.113 -2.799 1.00 0.00 O ATOM 0 H GLU A 40 59.024 6.412 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 40 57.012 4.273 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.038 5.164 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.067 3.720 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.659 6.290 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.202 6.108 -3.582 1.00 0.00 H new ATOM 616 N LEU A 41 60.202 3.687 -0.043 1.00 0.00 N ATOM 617 CA LEU A 41 61.150 2.631 0.412 1.00 0.00 C ATOM 618 C LEU A 41 60.597 1.925 1.653 1.00 0.00 C ATOM 619 O LEU A 41 60.922 0.787 1.930 1.00 0.00 O ATOM 620 CB LEU A 41 62.440 3.379 0.751 1.00 0.00 C ATOM 621 CG LEU A 41 63.402 2.438 1.478 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.839 2.920 1.277 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.072 2.430 2.972 1.00 0.00 C ATOM 0 H LEU A 41 60.616 4.607 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 41 61.310 1.864 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.904 3.757 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.218 4.243 1.377 1.00 0.00 H new ATOM 0 HG LEU A 41 63.298 1.430 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.524 2.249 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.075 2.928 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 41 64.944 3.928 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 41 63.756 1.760 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.176 3.438 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.048 2.086 3.117 1.00 0.00 H new ATOM 635 N GLY A 42 59.759 2.589 2.401 1.00 0.00 N ATOM 636 CA GLY A 42 59.183 1.953 3.620 1.00 0.00 C ATOM 637 C GLY A 42 58.481 0.652 3.229 1.00 0.00 C ATOM 638 O GLY A 42 58.888 -0.425 3.617 1.00 0.00 O ATOM 0 H GLY A 42 59.448 3.544 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.971 1.750 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.476 2.631 4.098 1.00 0.00 H new ATOM 642 N LYS A 43 57.431 0.743 2.458 1.00 0.00 N ATOM 643 CA LYS A 43 56.707 -0.492 2.039 1.00 0.00 C ATOM 644 C LYS A 43 57.691 -1.489 1.422 1.00 0.00 C ATOM 645 O LYS A 43 57.474 -2.684 1.440 1.00 0.00 O ATOM 646 CB LYS A 43 55.695 -0.021 0.994 1.00 0.00 C ATOM 647 CG LYS A 43 54.654 0.880 1.661 1.00 0.00 C ATOM 648 CD LYS A 43 54.327 2.055 0.736 1.00 0.00 C ATOM 649 CE LYS A 43 53.645 3.163 1.541 1.00 0.00 C ATOM 650 NZ LYS A 43 53.354 4.236 0.549 1.00 0.00 N ATOM 0 H LYS A 43 57.044 1.617 2.101 1.00 0.00 H new ATOM 0 HA LYS A 43 56.223 -0.995 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.204 0.522 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.206 -0.879 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 43 53.750 0.311 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 43 55.034 1.248 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.239 2.434 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.675 1.725 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.731 2.803 2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 43 54.293 3.528 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 52.885 5.032 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.243 4.564 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.730 3.862 -0.194 1.00 0.00 H new ATOM 664 N VAL A 44 58.773 -1.004 0.876 1.00 0.00 N ATOM 665 CA VAL A 44 59.775 -1.918 0.259 1.00 0.00 C ATOM 666 C VAL A 44 60.542 -2.670 1.352 1.00 0.00 C ATOM 667 O VAL A 44 60.796 -3.853 1.243 1.00 0.00 O ATOM 668 CB VAL A 44 60.707 -0.994 -0.534 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.065 -1.669 -0.745 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.079 -0.689 -1.896 1.00 0.00 C ATOM 0 H VAL A 44 59.006 -0.012 0.831 1.00 0.00 H new ATOM 0 HA VAL A 44 59.320 -2.676 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 44 60.851 -0.069 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.718 -1.004 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.517 -1.887 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.928 -2.598 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.739 -0.032 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 59.933 -1.619 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.116 -0.199 -1.751 1.00 0.00 H new ATOM 680 N MET A 45 60.912 -1.994 2.404 1.00 0.00 N ATOM 681 CA MET A 45 61.661 -2.671 3.501 1.00 0.00 C ATOM 682 C MET A 45 60.741 -3.634 4.256 1.00 0.00 C ATOM 683 O MET A 45 61.166 -4.668 4.733 1.00 0.00 O ATOM 684 CB MET A 45 62.125 -1.542 4.420 1.00 0.00 C ATOM 685 CG MET A 45 63.584 -1.204 4.116 1.00 0.00 C ATOM 686 SD MET A 45 64.624 -1.713 5.507 1.00 0.00 S ATOM 687 CE MET A 45 65.555 -0.171 5.669 1.00 0.00 C ATOM 0 H MET A 45 60.728 -1.002 2.552 1.00 0.00 H new ATOM 0 HA MET A 45 62.497 -3.261 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.499 -0.661 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.020 -1.841 5.463 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.903 -1.710 3.205 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.691 -0.134 3.940 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.271 -0.262 6.486 1.00 0.00 H new ATOM 0 HE2 MET A 45 66.088 0.031 4.740 1.00 0.00 H new ATOM 0 HE3 MET A 45 64.868 0.649 5.879 1.00 0.00 H new ATOM 697 N ARG A 46 59.484 -3.304 4.369 1.00 0.00 N ATOM 698 CA ARG A 46 58.539 -4.202 5.095 1.00 0.00 C ATOM 699 C ARG A 46 58.359 -5.513 4.325 1.00 0.00 C ATOM 700 O ARG A 46 58.449 -6.589 4.883 1.00 0.00 O ATOM 701 CB ARG A 46 57.222 -3.427 5.152 1.00 0.00 C ATOM 702 CG ARG A 46 57.443 -2.095 5.869 1.00 0.00 C ATOM 703 CD ARG A 46 56.122 -1.616 6.476 1.00 0.00 C ATOM 704 NE ARG A 46 56.053 -2.274 7.811 1.00 0.00 N ATOM 705 CZ ARG A 46 55.257 -1.802 8.731 1.00 0.00 C ATOM 706 NH1 ARG A 46 54.201 -1.115 8.389 1.00 0.00 N ATOM 707 NH2 ARG A 46 55.517 -2.016 9.992 1.00 0.00 N ATOM 0 H ARG A 46 59.070 -2.452 3.991 1.00 0.00 H new ATOM 0 HA ARG A 46 58.900 -4.465 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.848 -3.251 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 46 56.466 -4.012 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 46 58.194 -2.211 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.824 -1.352 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 46 56.101 -0.530 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 46 55.275 -1.899 5.852 1.00 0.00 H new ATOM 0 HE ARG A 46 56.628 -3.094 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.999 -0.948 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.578 -0.746 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 46 56.343 -2.552 10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 46 54.895 -1.647 10.711 1.00 0.00 H new ATOM 721 N MET A 47 58.105 -5.432 3.047 1.00 0.00 N ATOM 722 CA MET A 47 57.919 -6.674 2.243 1.00 0.00 C ATOM 723 C MET A 47 59.168 -7.554 2.332 1.00 0.00 C ATOM 724 O MET A 47 59.142 -8.721 1.992 1.00 0.00 O ATOM 725 CB MET A 47 57.708 -6.188 0.808 1.00 0.00 C ATOM 726 CG MET A 47 56.365 -5.462 0.706 1.00 0.00 C ATOM 727 SD MET A 47 55.245 -6.413 -0.352 1.00 0.00 S ATOM 728 CE MET A 47 56.061 -6.056 -1.927 1.00 0.00 C ATOM 0 H MET A 47 58.018 -4.560 2.525 1.00 0.00 H new ATOM 0 HA MET A 47 57.082 -7.274 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 47 58.518 -5.519 0.517 1.00 0.00 H new ATOM 0 HB3 MET A 47 57.730 -7.033 0.120 1.00 0.00 H new ATOM 0 HG2 MET A 47 55.929 -5.339 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 47 56.510 -4.463 0.295 1.00 0.00 H new ATOM 0 HE1 MET A 47 55.308 -5.852 -2.689 1.00 0.00 H new ATOM 0 HE2 MET A 47 56.707 -5.186 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 47 56.660 -6.915 -2.230 1.00 0.00 H new ATOM 738 N LEU A 48 60.263 -7.006 2.782 1.00 0.00 N ATOM 739 CA LEU A 48 61.512 -7.813 2.889 1.00 0.00 C ATOM 740 C LEU A 48 61.741 -8.247 4.340 1.00 0.00 C ATOM 741 O LEU A 48 62.779 -8.779 4.681 1.00 0.00 O ATOM 742 CB LEU A 48 62.627 -6.875 2.425 1.00 0.00 C ATOM 743 CG LEU A 48 62.403 -6.503 0.959 1.00 0.00 C ATOM 744 CD1 LEU A 48 63.164 -5.217 0.635 1.00 0.00 C ATOM 745 CD2 LEU A 48 62.913 -7.635 0.064 1.00 0.00 C ATOM 0 H LEU A 48 60.347 -6.034 3.080 1.00 0.00 H new ATOM 0 HA LEU A 48 61.469 -8.723 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.641 -5.976 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.597 -7.358 2.545 1.00 0.00 H new ATOM 0 HG LEU A 48 61.339 -6.349 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 48 63.004 -4.953 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 48 62.803 -4.410 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 48 64.229 -5.370 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 62.754 -7.372 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 48 63.977 -7.788 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 48 62.371 -8.552 0.293 1.00 0.00 H new ATOM 757 N GLY A 49 60.780 -8.025 5.194 1.00 0.00 N ATOM 758 CA GLY A 49 60.946 -8.426 6.620 1.00 0.00 C ATOM 759 C GLY A 49 61.685 -7.323 7.379 1.00 0.00 C ATOM 760 O GLY A 49 62.877 -7.399 7.598 1.00 0.00 O ATOM 0 H GLY A 49 59.889 -7.584 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.971 -8.604 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.503 -9.361 6.683 1.00 0.00 H new ATOM 764 N GLN A 50 60.986 -6.297 7.783 1.00 0.00 N ATOM 765 CA GLN A 50 61.651 -5.190 8.528 1.00 0.00 C ATOM 766 C GLN A 50 60.606 -4.206 9.061 1.00 0.00 C ATOM 767 O GLN A 50 59.481 -4.172 8.604 1.00 0.00 O ATOM 768 CB GLN A 50 62.555 -4.508 7.501 1.00 0.00 C ATOM 769 CG GLN A 50 64.013 -4.879 7.776 1.00 0.00 C ATOM 770 CD GLN A 50 64.729 -3.691 8.420 1.00 0.00 C ATOM 771 OE1 GLN A 50 64.100 -2.824 8.990 1.00 0.00 O ATOM 772 NE2 GLN A 50 66.030 -3.615 8.351 1.00 0.00 N ATOM 0 H GLN A 50 59.985 -6.178 7.630 1.00 0.00 H new ATOM 0 HA GLN A 50 62.213 -5.552 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 50 62.275 -4.815 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 50 62.428 -3.427 7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.061 -5.746 8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 50 64.510 -5.157 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 50 66.559 -4.344 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 50 66.518 -2.827 8.776 1.00 0.00 H new ATOM 781 N ASN A 51 60.970 -3.405 10.025 1.00 0.00 N ATOM 782 CA ASN A 51 59.997 -2.425 10.587 1.00 0.00 C ATOM 783 C ASN A 51 60.731 -1.179 11.090 1.00 0.00 C ATOM 784 O ASN A 51 60.651 -0.839 12.255 1.00 0.00 O ATOM 785 CB ASN A 51 59.328 -3.158 11.752 1.00 0.00 C ATOM 786 CG ASN A 51 60.397 -3.839 12.608 1.00 0.00 C ATOM 787 OD1 ASN A 51 61.578 -3.629 12.407 1.00 0.00 O ATOM 788 ND2 ASN A 51 60.033 -4.654 13.560 1.00 0.00 N ATOM 0 H ASN A 51 61.898 -3.387 10.448 1.00 0.00 H new ATOM 0 HA ASN A 51 59.273 -2.089 9.844 1.00 0.00 H new ATOM 0 HB2 ASN A 51 58.756 -2.455 12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.624 -3.899 11.373 1.00 0.00 H new ATOM 0 HD21 ASN A 51 60.739 -5.114 14.135 1.00 0.00 H new ATOM 0 HD22 ASN A 51 59.043 -4.831 13.729 1.00 0.00 H new ATOM 795 N PRO A 52 61.424 -0.538 10.190 1.00 0.00 N ATOM 796 CA PRO A 52 62.184 0.687 10.541 1.00 0.00 C ATOM 797 C PRO A 52 61.230 1.865 10.761 1.00 0.00 C ATOM 798 O PRO A 52 60.048 1.686 10.982 1.00 0.00 O ATOM 799 CB PRO A 52 63.065 0.923 9.317 1.00 0.00 C ATOM 800 CG PRO A 52 62.348 0.257 8.187 1.00 0.00 C ATOM 801 CD PRO A 52 61.565 -0.889 8.772 1.00 0.00 C ATOM 0 HA PRO A 52 62.758 0.586 11.462 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.198 1.988 9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.059 0.498 9.459 1.00 0.00 H new ATOM 0 HG2 PRO A 52 61.684 0.960 7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.056 -0.102 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 52 60.594 -0.996 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.090 -1.836 8.646 1.00 0.00 H new ATOM 809 N THR A 53 61.734 3.067 10.702 1.00 0.00 N ATOM 810 CA THR A 53 60.857 4.256 10.907 1.00 0.00 C ATOM 811 C THR A 53 61.109 5.293 9.810 1.00 0.00 C ATOM 812 O THR A 53 62.138 5.275 9.163 1.00 0.00 O ATOM 813 CB THR A 53 61.254 4.810 12.276 1.00 0.00 C ATOM 814 OG1 THR A 53 62.526 4.292 12.645 1.00 0.00 O ATOM 815 CG2 THR A 53 60.212 4.399 13.317 1.00 0.00 C ATOM 0 H THR A 53 62.715 3.278 10.521 1.00 0.00 H new ATOM 0 HA THR A 53 59.798 4.002 10.864 1.00 0.00 H new ATOM 0 HB THR A 53 61.305 5.898 12.227 1.00 0.00 H new ATOM 0 HG1 THR A 53 62.644 4.374 13.614 1.00 0.00 H new ATOM 0 HG21 THR A 53 60.496 4.794 14.292 1.00 0.00 H new ATOM 0 HG22 THR A 53 59.238 4.798 13.034 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.158 3.312 13.368 1.00 0.00 H new ATOM 823 N PRO A 54 60.154 6.166 9.638 1.00 0.00 N ATOM 824 CA PRO A 54 60.267 7.226 8.608 1.00 0.00 C ATOM 825 C PRO A 54 61.261 8.304 9.051 1.00 0.00 C ATOM 826 O PRO A 54 61.948 8.899 8.244 1.00 0.00 O ATOM 827 CB PRO A 54 58.853 7.795 8.524 1.00 0.00 C ATOM 828 CG PRO A 54 58.235 7.496 9.854 1.00 0.00 C ATOM 829 CD PRO A 54 58.892 6.246 10.380 1.00 0.00 C ATOM 0 HA PRO A 54 60.631 6.854 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.870 8.867 8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.289 7.333 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.383 8.328 10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.159 7.352 9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 54 59.065 6.308 11.454 1.00 0.00 H new ATOM 0 HD3 PRO A 54 58.272 5.367 10.207 1.00 0.00 H new ATOM 837 N GLU A 55 61.342 8.560 10.328 1.00 0.00 N ATOM 838 CA GLU A 55 62.288 9.600 10.822 1.00 0.00 C ATOM 839 C GLU A 55 63.729 9.083 10.758 1.00 0.00 C ATOM 840 O GLU A 55 64.671 9.848 10.719 1.00 0.00 O ATOM 841 CB GLU A 55 61.874 9.856 12.271 1.00 0.00 C ATOM 842 CG GLU A 55 62.189 11.306 12.645 1.00 0.00 C ATOM 843 CD GLU A 55 63.095 11.331 13.877 1.00 0.00 C ATOM 844 OE1 GLU A 55 62.956 10.450 14.708 1.00 0.00 O ATOM 845 OE2 GLU A 55 63.913 12.232 13.968 1.00 0.00 O ATOM 0 H GLU A 55 60.794 8.094 11.051 1.00 0.00 H new ATOM 0 HA GLU A 55 62.252 10.508 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.809 9.661 12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.403 9.175 12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.678 11.810 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.266 11.849 12.848 1.00 0.00 H new ATOM 852 N GLU A 56 63.906 7.789 10.749 1.00 0.00 N ATOM 853 CA GLU A 56 65.288 7.228 10.688 1.00 0.00 C ATOM 854 C GLU A 56 65.809 7.256 9.250 1.00 0.00 C ATOM 855 O GLU A 56 66.980 7.475 9.008 1.00 0.00 O ATOM 856 CB GLU A 56 65.151 5.786 11.180 1.00 0.00 C ATOM 857 CG GLU A 56 65.312 5.747 12.701 1.00 0.00 C ATOM 858 CD GLU A 56 66.237 4.592 13.087 1.00 0.00 C ATOM 859 OE1 GLU A 56 66.011 3.493 12.607 1.00 0.00 O ATOM 860 OE2 GLU A 56 67.155 4.824 13.857 1.00 0.00 O ATOM 0 H GLU A 56 63.157 7.098 10.781 1.00 0.00 H new ATOM 0 HA GLU A 56 65.993 7.801 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.178 5.385 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.905 5.156 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.723 6.691 13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.339 5.623 13.177 1.00 0.00 H new ATOM 867 N LEU A 57 64.951 7.035 8.292 1.00 0.00 N ATOM 868 CA LEU A 57 65.399 7.049 6.869 1.00 0.00 C ATOM 869 C LEU A 57 65.694 8.482 6.419 1.00 0.00 C ATOM 870 O LEU A 57 66.774 8.787 5.955 1.00 0.00 O ATOM 871 CB LEU A 57 64.225 6.468 6.081 1.00 0.00 C ATOM 872 CG LEU A 57 64.113 4.970 6.364 1.00 0.00 C ATOM 873 CD1 LEU A 57 62.751 4.459 5.889 1.00 0.00 C ATOM 874 CD2 LEU A 57 65.223 4.227 5.618 1.00 0.00 C ATOM 0 H LEU A 57 63.959 6.845 8.432 1.00 0.00 H new ATOM 0 HA LEU A 57 66.315 6.477 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 57 63.300 6.972 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 57 64.370 6.638 5.014 1.00 0.00 H new ATOM 0 HG LEU A 57 64.212 4.795 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 57 62.672 3.391 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 61.959 4.988 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 62.650 4.634 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 57 65.144 3.159 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 57 65.123 4.403 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 57 66.194 4.589 5.956 1.00 0.00 H new ATOM 886 N GLN A 58 64.741 9.364 6.555 1.00 0.00 N ATOM 887 CA GLN A 58 64.970 10.776 6.133 1.00 0.00 C ATOM 888 C GLN A 58 66.270 11.307 6.745 1.00 0.00 C ATOM 889 O GLN A 58 67.091 11.894 6.069 1.00 0.00 O ATOM 890 CB GLN A 58 63.767 11.550 6.674 1.00 0.00 C ATOM 891 CG GLN A 58 63.934 13.038 6.358 1.00 0.00 C ATOM 892 CD GLN A 58 63.984 13.236 4.842 1.00 0.00 C ATOM 893 OE1 GLN A 58 62.980 13.527 4.223 1.00 0.00 O ATOM 894 NE2 GLN A 58 65.118 13.090 4.215 1.00 0.00 N ATOM 0 H GLN A 58 63.816 9.169 6.939 1.00 0.00 H new ATOM 0 HA GLN A 58 65.065 10.874 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.847 11.173 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.681 11.403 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.106 13.606 6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.848 13.417 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 58 65.961 12.846 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 58 65.162 13.220 3.204 1.00 0.00 H new ATOM 903 N GLU A 59 66.462 11.106 8.020 1.00 0.00 N ATOM 904 CA GLU A 59 67.709 11.600 8.673 1.00 0.00 C ATOM 905 C GLU A 59 68.939 10.980 8.003 1.00 0.00 C ATOM 906 O GLU A 59 70.006 11.559 7.986 1.00 0.00 O ATOM 907 CB GLU A 59 67.604 11.142 10.128 1.00 0.00 C ATOM 908 CG GLU A 59 67.713 12.354 11.055 1.00 0.00 C ATOM 909 CD GLU A 59 69.168 12.819 11.121 1.00 0.00 C ATOM 910 OE1 GLU A 59 69.711 13.153 10.081 1.00 0.00 O ATOM 911 OE2 GLU A 59 69.716 12.835 12.212 1.00 0.00 O ATOM 0 H GLU A 59 65.811 10.622 8.638 1.00 0.00 H new ATOM 0 HA GLU A 59 67.815 12.682 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.656 10.630 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 59 68.395 10.427 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 59 67.079 13.162 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 59 67.358 12.095 12.052 1.00 0.00 H new ATOM 918 N MET A 60 68.797 9.806 7.452 1.00 0.00 N ATOM 919 CA MET A 60 69.958 9.150 6.785 1.00 0.00 C ATOM 920 C MET A 60 69.967 9.479 5.290 1.00 0.00 C ATOM 921 O MET A 60 71.010 9.598 4.678 1.00 0.00 O ATOM 922 CB MET A 60 69.749 7.652 7.005 1.00 0.00 C ATOM 923 CG MET A 60 70.121 7.290 8.444 1.00 0.00 C ATOM 924 SD MET A 60 70.684 5.570 8.510 1.00 0.00 S ATOM 925 CE MET A 60 69.115 4.839 9.037 1.00 0.00 C ATOM 0 H MET A 60 67.928 9.272 7.435 1.00 0.00 H new ATOM 0 HA MET A 60 70.911 9.491 7.189 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.710 7.386 6.809 1.00 0.00 H new ATOM 0 HB3 MET A 60 70.361 7.082 6.306 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.906 7.954 8.806 1.00 0.00 H new ATOM 0 HG3 MET A 60 69.260 7.427 9.099 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.233 3.761 9.143 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.817 5.267 9.994 1.00 0.00 H new ATOM 0 HE3 MET A 60 68.348 5.048 8.292 1.00 0.00 H new ATOM 935 N ILE A 61 68.814 9.627 4.697 1.00 0.00 N ATOM 936 CA ILE A 61 68.761 9.948 3.242 1.00 0.00 C ATOM 937 C ILE A 61 69.381 11.323 2.983 1.00 0.00 C ATOM 938 O ILE A 61 69.848 11.610 1.898 1.00 0.00 O ATOM 939 CB ILE A 61 67.273 9.955 2.889 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.719 8.533 3.001 1.00 0.00 C ATOM 941 CG2 ILE A 61 67.090 10.461 1.457 1.00 0.00 C ATOM 942 CD1 ILE A 61 65.196 8.586 3.134 1.00 0.00 C ATOM 0 H ILE A 61 67.907 9.540 5.156 1.00 0.00 H new ATOM 0 HA ILE A 61 69.317 9.229 2.640 1.00 0.00 H new ATOM 0 HB ILE A 61 66.739 10.611 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.998 7.953 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 61 67.153 8.030 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 61 66.029 10.466 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.487 11.473 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.623 9.805 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.802 7.573 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.928 9.151 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.771 9.072 2.256 1.00 0.00 H new ATOM 954 N ASP A 62 69.391 12.175 3.970 1.00 0.00 N ATOM 955 CA ASP A 62 69.983 13.531 3.779 1.00 0.00 C ATOM 956 C ASP A 62 71.447 13.411 3.348 1.00 0.00 C ATOM 957 O ASP A 62 71.900 14.098 2.455 1.00 0.00 O ATOM 958 CB ASP A 62 69.880 14.206 5.148 1.00 0.00 C ATOM 959 CG ASP A 62 68.577 15.003 5.226 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.532 16.084 4.662 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.645 14.518 5.848 1.00 0.00 O ATOM 0 H ASP A 62 69.015 11.992 4.901 1.00 0.00 H new ATOM 0 HA ASP A 62 69.469 14.101 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 62 69.908 13.456 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 62 70.733 14.866 5.305 1.00 0.00 H new ATOM 966 N GLU A 63 72.189 12.540 3.976 1.00 0.00 N ATOM 967 CA GLU A 63 73.624 12.374 3.601 1.00 0.00 C ATOM 968 C GLU A 63 73.790 11.158 2.686 1.00 0.00 C ATOM 969 O GLU A 63 74.798 10.998 2.027 1.00 0.00 O ATOM 970 CB GLU A 63 74.355 12.154 4.925 1.00 0.00 C ATOM 971 CG GLU A 63 74.402 13.467 5.707 1.00 0.00 C ATOM 972 CD GLU A 63 75.816 13.690 6.246 1.00 0.00 C ATOM 973 OE1 GLU A 63 76.756 13.388 5.529 1.00 0.00 O ATOM 974 OE2 GLU A 63 75.935 14.159 7.366 1.00 0.00 O ATOM 0 H GLU A 63 71.865 11.936 4.732 1.00 0.00 H new ATOM 0 HA GLU A 63 74.014 13.236 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 63 73.846 11.388 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.367 11.793 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.112 14.297 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 63 73.688 13.438 6.530 1.00 0.00 H new ATOM 981 N VAL A 64 72.808 10.301 2.640 1.00 0.00 N ATOM 982 CA VAL A 64 72.908 9.095 1.768 1.00 0.00 C ATOM 983 C VAL A 64 72.471 9.441 0.341 1.00 0.00 C ATOM 984 O VAL A 64 72.986 8.909 -0.622 1.00 0.00 O ATOM 985 CB VAL A 64 71.956 8.074 2.395 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.646 6.970 1.383 1.00 0.00 C ATOM 987 CG2 VAL A 64 72.613 7.460 3.632 1.00 0.00 C ATOM 0 H VAL A 64 71.940 10.383 3.169 1.00 0.00 H new ATOM 0 HA VAL A 64 73.926 8.711 1.702 1.00 0.00 H new ATOM 0 HB VAL A 64 71.030 8.572 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.968 6.244 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 64 71.178 7.406 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.571 6.471 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.936 6.732 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.540 6.964 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.832 8.245 4.355 1.00 0.00 H new ATOM 997 N ASP A 65 71.525 10.329 0.200 1.00 0.00 N ATOM 998 CA ASP A 65 71.056 10.708 -1.165 1.00 0.00 C ATOM 999 C ASP A 65 72.159 11.462 -1.912 1.00 0.00 C ATOM 1000 O ASP A 65 71.992 12.602 -2.300 1.00 0.00 O ATOM 1001 CB ASP A 65 69.850 11.619 -0.930 1.00 0.00 C ATOM 1002 CG ASP A 65 70.325 12.960 -0.367 1.00 0.00 C ATOM 1003 OD1 ASP A 65 71.183 12.945 0.500 1.00 0.00 O ATOM 1004 OD2 ASP A 65 69.822 13.979 -0.812 1.00 0.00 O ATOM 0 H ASP A 65 71.057 10.808 0.969 1.00 0.00 H new ATOM 0 HA ASP A 65 70.799 9.838 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.311 11.775 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.154 11.147 -0.236 1.00 0.00 H new ATOM 1009 N GLU A 66 73.286 10.836 -2.116 1.00 0.00 N ATOM 1010 CA GLU A 66 74.397 11.520 -2.838 1.00 0.00 C ATOM 1011 C GLU A 66 73.873 12.176 -4.119 1.00 0.00 C ATOM 1012 O GLU A 66 74.126 13.335 -4.382 1.00 0.00 O ATOM 1013 CB GLU A 66 75.396 10.411 -3.172 1.00 0.00 C ATOM 1014 CG GLU A 66 76.798 10.838 -2.734 1.00 0.00 C ATOM 1015 CD GLU A 66 77.844 10.107 -3.578 1.00 0.00 C ATOM 1016 OE1 GLU A 66 77.478 9.149 -4.239 1.00 0.00 O ATOM 1017 OE2 GLU A 66 78.993 10.517 -3.548 1.00 0.00 O ATOM 0 H GLU A 66 73.486 9.882 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 66 74.851 12.311 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 75.112 9.487 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 75.384 10.207 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.913 11.916 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.945 10.611 -1.678 1.00 0.00 H new ATOM 1024 N ASP A 67 73.141 11.445 -4.915 1.00 0.00 N ATOM 1025 CA ASP A 67 72.600 12.031 -6.176 1.00 0.00 C ATOM 1026 C ASP A 67 71.134 11.629 -6.362 1.00 0.00 C ATOM 1027 O ASP A 67 70.683 11.379 -7.461 1.00 0.00 O ATOM 1028 CB ASP A 67 73.464 11.440 -7.291 1.00 0.00 C ATOM 1029 CG ASP A 67 73.634 9.937 -7.064 1.00 0.00 C ATOM 1030 OD1 ASP A 67 72.781 9.190 -7.517 1.00 0.00 O ATOM 1031 OD2 ASP A 67 74.613 9.558 -6.443 1.00 0.00 O ATOM 0 H ASP A 67 72.894 10.470 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 67 72.631 13.121 -6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.000 11.622 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 67 74.438 11.928 -7.308 1.00 0.00 H new ATOM 1036 N GLY A 68 70.386 11.567 -5.293 1.00 0.00 N ATOM 1037 CA GLY A 68 68.950 11.186 -5.408 1.00 0.00 C ATOM 1038 C GLY A 68 68.079 12.433 -5.254 1.00 0.00 C ATOM 1039 O GLY A 68 67.203 12.693 -6.054 1.00 0.00 O ATOM 0 H GLY A 68 70.708 11.764 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 68 68.763 10.716 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.694 10.454 -4.642 1.00 0.00 H new ATOM 1043 N SER A 69 68.317 13.211 -4.232 1.00 0.00 N ATOM 1044 CA SER A 69 67.509 14.448 -4.024 1.00 0.00 C ATOM 1045 C SER A 69 66.067 14.092 -3.649 1.00 0.00 C ATOM 1046 O SER A 69 65.134 14.774 -4.022 1.00 0.00 O ATOM 1047 CB SER A 69 67.547 15.181 -5.365 1.00 0.00 C ATOM 1048 OG SER A 69 67.488 16.582 -5.135 1.00 0.00 O ATOM 0 H SER A 69 69.038 13.043 -3.530 1.00 0.00 H new ATOM 0 HA SER A 69 67.903 15.060 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.459 14.927 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.709 14.867 -5.988 1.00 0.00 H new ATOM 0 HG SER A 69 67.514 17.056 -5.993 1.00 0.00 H new ATOM 1054 N GLY A 70 65.876 13.033 -2.911 1.00 0.00 N ATOM 1055 CA GLY A 70 64.493 12.646 -2.513 1.00 0.00 C ATOM 1056 C GLY A 70 64.195 11.223 -2.992 1.00 0.00 C ATOM 1057 O GLY A 70 63.115 10.705 -2.789 1.00 0.00 O ATOM 0 H GLY A 70 66.616 12.420 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 70 64.387 12.705 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 70 63.773 13.342 -2.942 1.00 0.00 H new ATOM 1061 N THR A 71 65.141 10.587 -3.625 1.00 0.00 N ATOM 1062 CA THR A 71 64.903 9.196 -4.112 1.00 0.00 C ATOM 1063 C THR A 71 66.204 8.391 -4.074 1.00 0.00 C ATOM 1064 O THR A 71 67.265 8.891 -4.388 1.00 0.00 O ATOM 1065 CB THR A 71 64.411 9.360 -5.552 1.00 0.00 C ATOM 1066 OG1 THR A 71 65.492 9.779 -6.375 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.296 10.406 -5.598 1.00 0.00 C ATOM 0 H THR A 71 66.066 10.967 -3.827 1.00 0.00 H new ATOM 0 HA THR A 71 64.183 8.659 -3.495 1.00 0.00 H new ATOM 0 HB THR A 71 64.025 8.407 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.179 9.883 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.947 10.521 -6.624 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.468 10.083 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.677 11.360 -5.235 1.00 0.00 H new ATOM 1075 N VAL A 72 66.128 7.146 -3.691 1.00 0.00 N ATOM 1076 CA VAL A 72 67.364 6.308 -3.634 1.00 0.00 C ATOM 1077 C VAL A 72 67.426 5.349 -4.821 1.00 0.00 C ATOM 1078 O VAL A 72 66.419 4.969 -5.384 1.00 0.00 O ATOM 1079 CB VAL A 72 67.285 5.505 -2.329 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.781 6.364 -1.173 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.842 5.067 -2.058 1.00 0.00 C ATOM 0 H VAL A 72 65.268 6.672 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 72 68.254 6.936 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 72 67.910 4.617 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.725 5.794 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.814 6.659 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.159 7.255 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.803 4.498 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.205 5.947 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.491 4.443 -2.880 1.00 0.00 H new ATOM 1091 N ASP A 73 68.607 4.941 -5.187 1.00 0.00 N ATOM 1092 CA ASP A 73 68.754 3.988 -6.319 1.00 0.00 C ATOM 1093 C ASP A 73 69.193 2.629 -5.773 1.00 0.00 C ATOM 1094 O ASP A 73 69.422 2.475 -4.590 1.00 0.00 O ATOM 1095 CB ASP A 73 69.839 4.590 -7.212 1.00 0.00 C ATOM 1096 CG ASP A 73 69.388 5.966 -7.707 1.00 0.00 C ATOM 1097 OD1 ASP A 73 68.474 6.516 -7.114 1.00 0.00 O ATOM 1098 OD2 ASP A 73 69.963 6.446 -8.671 1.00 0.00 O ATOM 0 H ASP A 73 69.482 5.228 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 73 67.826 3.837 -6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 73 70.773 4.680 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.033 3.933 -8.060 1.00 0.00 H new ATOM 1103 N PHE A 74 69.310 1.642 -6.612 1.00 0.00 N ATOM 1104 CA PHE A 74 69.733 0.303 -6.115 1.00 0.00 C ATOM 1105 C PHE A 74 71.082 0.407 -5.398 1.00 0.00 C ATOM 1106 O PHE A 74 71.477 -0.481 -4.669 1.00 0.00 O ATOM 1107 CB PHE A 74 69.849 -0.566 -7.367 1.00 0.00 C ATOM 1108 CG PHE A 74 70.024 -2.011 -6.964 1.00 0.00 C ATOM 1109 CD1 PHE A 74 68.901 -2.797 -6.677 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.306 -2.564 -6.879 1.00 0.00 C ATOM 1111 CE1 PHE A 74 69.062 -4.137 -6.305 1.00 0.00 C ATOM 1112 CE2 PHE A 74 71.468 -3.903 -6.507 1.00 0.00 C ATOM 1113 CZ PHE A 74 70.346 -4.690 -6.220 1.00 0.00 C ATOM 0 H PHE A 74 69.133 1.701 -7.615 1.00 0.00 H new ATOM 0 HA PHE A 74 69.027 -0.115 -5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 74 68.957 -0.455 -7.983 1.00 0.00 H new ATOM 0 HB3 PHE A 74 70.696 -0.241 -7.971 1.00 0.00 H new ATOM 0 HD1 PHE A 74 67.911 -2.370 -6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.171 -1.957 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 74 68.197 -4.744 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 74 72.458 -4.329 -6.441 1.00 0.00 H new ATOM 0 HZ PHE A 74 70.471 -5.724 -5.933 1.00 0.00 H new ATOM 1123 N ASP A 75 71.790 1.485 -5.596 1.00 0.00 N ATOM 1124 CA ASP A 75 73.109 1.642 -4.920 1.00 0.00 C ATOM 1125 C ASP A 75 72.924 2.269 -3.535 1.00 0.00 C ATOM 1126 O ASP A 75 73.591 1.907 -2.587 1.00 0.00 O ATOM 1127 CB ASP A 75 73.915 2.570 -5.828 1.00 0.00 C ATOM 1128 CG ASP A 75 74.826 1.734 -6.731 1.00 0.00 C ATOM 1129 OD1 ASP A 75 75.771 1.159 -6.216 1.00 0.00 O ATOM 1130 OD2 ASP A 75 74.562 1.682 -7.921 1.00 0.00 O ATOM 0 H ASP A 75 71.513 2.262 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 75 73.611 0.686 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 75 73.243 3.178 -6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.511 3.257 -5.227 1.00 0.00 H new ATOM 1135 N GLU A 76 72.020 3.203 -3.408 1.00 0.00 N ATOM 1136 CA GLU A 76 71.796 3.847 -2.082 1.00 0.00 C ATOM 1137 C GLU A 76 71.021 2.900 -1.164 1.00 0.00 C ATOM 1138 O GLU A 76 71.441 2.608 -0.061 1.00 0.00 O ATOM 1139 CB GLU A 76 70.972 5.100 -2.383 1.00 0.00 C ATOM 1140 CG GLU A 76 71.739 5.993 -3.360 1.00 0.00 C ATOM 1141 CD GLU A 76 72.902 6.669 -2.631 1.00 0.00 C ATOM 1142 OE1 GLU A 76 73.138 6.323 -1.485 1.00 0.00 O ATOM 1143 OE2 GLU A 76 73.536 7.521 -3.231 1.00 0.00 O ATOM 0 H GLU A 76 71.428 3.547 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 76 72.730 4.089 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.008 4.821 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.767 5.644 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.115 5.399 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 76 71.073 6.746 -3.780 1.00 0.00 H new ATOM 1150 N PHE A 77 69.892 2.418 -1.607 1.00 0.00 N ATOM 1151 CA PHE A 77 69.093 1.491 -0.756 1.00 0.00 C ATOM 1152 C PHE A 77 69.989 0.382 -0.193 1.00 0.00 C ATOM 1153 O PHE A 77 69.964 0.090 0.986 1.00 0.00 O ATOM 1154 CB PHE A 77 68.036 0.908 -1.694 1.00 0.00 C ATOM 1155 CG PHE A 77 67.073 0.051 -0.906 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.684 0.436 0.382 1.00 0.00 C ATOM 1157 CD2 PHE A 77 66.568 -1.128 -1.467 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.790 -0.358 1.110 1.00 0.00 C ATOM 1159 CE2 PHE A 77 65.673 -1.923 -0.739 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.285 -1.538 0.550 1.00 0.00 C ATOM 0 H PHE A 77 69.489 2.626 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 77 68.644 1.996 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.497 1.712 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.515 0.313 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 77 67.074 1.346 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 77 66.868 -1.425 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.490 -0.060 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 77 65.283 -2.832 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 77 64.596 -2.151 1.112 1.00 0.00 H new ATOM 1170 N LEU A 78 70.778 -0.239 -1.026 1.00 0.00 N ATOM 1171 CA LEU A 78 71.672 -1.328 -0.536 1.00 0.00 C ATOM 1172 C LEU A 78 72.494 -0.842 0.663 1.00 0.00 C ATOM 1173 O LEU A 78 72.540 -1.481 1.695 1.00 0.00 O ATOM 1174 CB LEU A 78 72.589 -1.650 -1.717 1.00 0.00 C ATOM 1175 CG LEU A 78 72.038 -2.857 -2.476 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.227 -4.121 -1.635 1.00 0.00 C ATOM 1177 CD2 LEU A 78 70.548 -2.647 -2.753 1.00 0.00 C ATOM 0 H LEU A 78 70.843 -0.040 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 78 71.112 -2.202 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.659 -0.789 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.598 -1.860 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 78 72.572 -2.967 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 78 71.834 -4.981 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 78 73.288 -4.271 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 78 71.694 -4.013 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 78 70.154 -3.507 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 78 70.014 -2.537 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 70.413 -1.747 -3.353 1.00 0.00 H new ATOM 1189 N VAL A 79 73.142 0.282 0.533 1.00 0.00 N ATOM 1190 CA VAL A 79 73.960 0.808 1.665 1.00 0.00 C ATOM 1191 C VAL A 79 73.073 1.047 2.889 1.00 0.00 C ATOM 1192 O VAL A 79 73.406 0.663 3.993 1.00 0.00 O ATOM 1193 CB VAL A 79 74.540 2.127 1.156 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.348 2.793 2.272 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.455 1.853 -0.039 1.00 0.00 C ATOM 0 H VAL A 79 73.141 0.860 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 79 74.741 0.112 1.970 1.00 0.00 H new ATOM 0 HB VAL A 79 73.728 2.787 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.762 3.734 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.698 2.987 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 79 76.160 2.133 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.869 2.793 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 79 76.267 1.193 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.882 1.377 -0.835 1.00 0.00 H new ATOM 1205 N MET A 80 71.946 1.679 2.703 1.00 0.00 N ATOM 1206 CA MET A 80 71.039 1.943 3.856 1.00 0.00 C ATOM 1207 C MET A 80 70.547 0.623 4.456 1.00 0.00 C ATOM 1208 O MET A 80 70.195 0.551 5.616 1.00 0.00 O ATOM 1209 CB MET A 80 69.869 2.733 3.267 1.00 0.00 C ATOM 1210 CG MET A 80 70.319 4.164 2.968 1.00 0.00 C ATOM 1211 SD MET A 80 69.087 5.328 3.605 1.00 0.00 S ATOM 1212 CE MET A 80 68.250 5.655 2.034 1.00 0.00 C ATOM 0 H MET A 80 71.614 2.024 1.802 1.00 0.00 H new ATOM 0 HA MET A 80 71.538 2.489 4.657 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.515 2.253 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 80 69.033 2.742 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 80 71.288 4.356 3.428 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.443 4.301 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 80 67.184 5.799 2.213 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.667 6.554 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.394 4.809 1.362 1.00 0.00 H new ATOM 1222 N MET A 81 70.520 -0.423 3.675 1.00 0.00 N ATOM 1223 CA MET A 81 70.049 -1.735 4.204 1.00 0.00 C ATOM 1224 C MET A 81 71.149 -2.392 5.042 1.00 0.00 C ATOM 1225 O MET A 81 70.894 -2.947 6.092 1.00 0.00 O ATOM 1226 CB MET A 81 69.744 -2.575 2.963 1.00 0.00 C ATOM 1227 CG MET A 81 68.248 -2.888 2.914 1.00 0.00 C ATOM 1228 SD MET A 81 67.752 -3.709 4.449 1.00 0.00 S ATOM 1229 CE MET A 81 66.115 -4.249 3.899 1.00 0.00 C ATOM 0 H MET A 81 70.803 -0.426 2.695 1.00 0.00 H new ATOM 0 HA MET A 81 69.177 -1.632 4.850 1.00 0.00 H new ATOM 0 HB2 MET A 81 70.043 -2.037 2.064 1.00 0.00 H new ATOM 0 HB3 MET A 81 70.319 -3.500 2.987 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.678 -1.969 2.780 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.027 -3.528 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 81 65.439 -4.290 4.753 1.00 0.00 H new ATOM 0 HE2 MET A 81 65.727 -3.544 3.164 1.00 0.00 H new ATOM 0 HE3 MET A 81 66.191 -5.239 3.448 1.00 0.00 H new ATOM 1239 N VAL A 82 72.371 -2.332 4.587 1.00 0.00 N ATOM 1240 CA VAL A 82 73.486 -2.952 5.361 1.00 0.00 C ATOM 1241 C VAL A 82 73.729 -2.168 6.654 1.00 0.00 C ATOM 1242 O VAL A 82 74.402 -2.629 7.554 1.00 0.00 O ATOM 1243 CB VAL A 82 74.705 -2.861 4.445 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.401 -3.556 3.116 1.00 0.00 C ATOM 1245 CG2 VAL A 82 75.034 -1.389 4.187 1.00 0.00 C ATOM 0 H VAL A 82 72.646 -1.881 3.714 1.00 0.00 H new ATOM 0 HA VAL A 82 73.268 -3.981 5.647 1.00 0.00 H new ATOM 0 HB VAL A 82 75.556 -3.349 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.272 -3.490 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.163 -4.604 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 82 73.551 -3.070 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.904 -1.320 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 82 74.182 -0.904 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 82 75.251 -0.893 5.133 1.00 0.00 H new ATOM 1255 N ARG A 83 73.189 -0.983 6.750 1.00 0.00 N ATOM 1256 CA ARG A 83 73.391 -0.169 7.983 1.00 0.00 C ATOM 1257 C ARG A 83 72.203 -0.339 8.932 1.00 0.00 C ATOM 1258 O ARG A 83 72.150 0.258 9.990 1.00 0.00 O ATOM 1259 CB ARG A 83 73.485 1.276 7.494 1.00 0.00 C ATOM 1260 CG ARG A 83 74.236 2.117 8.528 1.00 0.00 C ATOM 1261 CD ARG A 83 74.593 3.477 7.922 1.00 0.00 C ATOM 1262 NE ARG A 83 75.741 3.968 8.732 1.00 0.00 N ATOM 1263 CZ ARG A 83 75.569 4.285 9.985 1.00 0.00 C ATOM 1264 NH1 ARG A 83 74.513 4.963 10.347 1.00 0.00 N ATOM 1265 NH2 ARG A 83 76.450 3.925 10.877 1.00 0.00 N ATOM 0 H ARG A 83 72.617 -0.544 6.029 1.00 0.00 H new ATOM 0 HA ARG A 83 74.281 -0.471 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 83 74.001 1.314 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.486 1.683 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 83 73.620 2.254 9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 83 75.142 1.599 8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 83 74.863 3.382 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 83 73.750 4.166 7.973 1.00 0.00 H new ATOM 0 HE ARG A 83 76.664 4.057 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 83 73.824 5.244 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 83 74.378 5.211 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 83 77.274 3.395 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 83 76.314 4.174 11.857 1.00 0.00 H new ATOM 1279 N CYS A 84 71.247 -1.148 8.564 1.00 0.00 N ATOM 1280 CA CYS A 84 70.063 -1.353 9.448 1.00 0.00 C ATOM 1281 C CYS A 84 69.967 -2.821 9.871 1.00 0.00 C ATOM 1282 O CYS A 84 68.910 -3.306 10.224 1.00 0.00 O ATOM 1283 CB CYS A 84 68.857 -0.958 8.596 1.00 0.00 C ATOM 1284 SG CYS A 84 68.400 0.755 8.954 1.00 0.00 S ATOM 0 H CYS A 84 71.234 -1.675 7.691 1.00 0.00 H new ATOM 0 HA CYS A 84 70.124 -0.763 10.363 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.094 -1.069 7.538 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.018 -1.621 8.806 1.00 0.00 H new ATOM 0 HG CYS A 84 67.376 1.092 8.228 1.00 0.00 H new ATOM 1290 N MET A 85 71.060 -3.531 9.839 1.00 0.00 N ATOM 1291 CA MET A 85 71.029 -4.967 10.241 1.00 0.00 C ATOM 1292 C MET A 85 71.364 -5.105 11.728 1.00 0.00 C ATOM 1293 O MET A 85 72.366 -5.685 12.098 1.00 0.00 O ATOM 1294 CB MET A 85 72.102 -5.641 9.385 1.00 0.00 C ATOM 1295 CG MET A 85 71.906 -5.250 7.919 1.00 0.00 C ATOM 1296 SD MET A 85 72.006 -6.729 6.881 1.00 0.00 S ATOM 1297 CE MET A 85 71.267 -6.011 5.393 1.00 0.00 C ATOM 0 H MET A 85 71.974 -3.180 9.552 1.00 0.00 H new ATOM 0 HA MET A 85 70.047 -5.417 10.093 1.00 0.00 H new ATOM 0 HB2 MET A 85 73.094 -5.340 9.723 1.00 0.00 H new ATOM 0 HB3 MET A 85 72.043 -6.724 9.495 1.00 0.00 H new ATOM 0 HG2 MET A 85 70.939 -4.765 7.787 1.00 0.00 H new ATOM 0 HG3 MET A 85 72.667 -4.530 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 85 70.824 -6.803 4.788 1.00 0.00 H new ATOM 0 HE2 MET A 85 70.494 -5.297 5.679 1.00 0.00 H new ATOM 0 HE3 MET A 85 72.037 -5.500 4.815 1.00 0.00 H new ATOM 1307 N LYS A 86 70.534 -4.576 12.584 1.00 0.00 N ATOM 1308 CA LYS A 86 70.806 -4.676 14.046 1.00 0.00 C ATOM 1309 C LYS A 86 69.628 -4.111 14.845 1.00 0.00 C ATOM 1310 O LYS A 86 69.449 -2.914 14.944 1.00 0.00 O ATOM 1311 CB LYS A 86 72.061 -3.833 14.272 1.00 0.00 C ATOM 1312 CG LYS A 86 72.821 -4.364 15.489 1.00 0.00 C ATOM 1313 CD LYS A 86 73.854 -3.328 15.938 1.00 0.00 C ATOM 1314 CE LYS A 86 74.671 -2.864 14.731 1.00 0.00 C ATOM 1315 NZ LYS A 86 75.715 -1.965 15.295 1.00 0.00 N ATOM 0 H LYS A 86 69.679 -4.079 12.335 1.00 0.00 H new ATOM 0 HA LYS A 86 70.943 -5.707 14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 86 72.699 -3.867 13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 86 71.788 -2.789 14.428 1.00 0.00 H new ATOM 0 HG2 LYS A 86 72.126 -4.575 16.301 1.00 0.00 H new ATOM 0 HG3 LYS A 86 73.316 -5.303 15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 86 73.354 -2.477 16.400 1.00 0.00 H new ATOM 0 HD3 LYS A 86 74.513 -3.759 16.692 1.00 0.00 H new ATOM 0 HE2 LYS A 86 75.119 -3.710 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 86 74.045 -2.338 14.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 76.316 -1.606 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 75.260 -1.166 15.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 76.299 -2.494 15.973 1.00 0.00 H new ATOM 1329 N ASP A 87 68.823 -4.965 15.417 1.00 0.00 N ATOM 1330 CA ASP A 87 67.658 -4.477 16.210 1.00 0.00 C ATOM 1331 C ASP A 87 67.328 -5.468 17.329 1.00 0.00 C ATOM 1332 O ASP A 87 67.484 -5.174 18.499 1.00 0.00 O ATOM 1333 CB ASP A 87 66.504 -4.394 15.210 1.00 0.00 C ATOM 1334 CG ASP A 87 66.281 -2.934 14.806 1.00 0.00 C ATOM 1335 OD1 ASP A 87 67.212 -2.333 14.296 1.00 0.00 O ATOM 1336 OD2 ASP A 87 65.184 -2.444 15.015 1.00 0.00 O ATOM 0 H ASP A 87 68.921 -5.979 15.370 1.00 0.00 H new ATOM 0 HA ASP A 87 67.855 -3.516 16.685 1.00 0.00 H new ATOM 0 HB2 ASP A 87 66.728 -4.996 14.329 1.00 0.00 H new ATOM 0 HB3 ASP A 87 65.596 -4.803 15.652 1.00 0.00 H new ATOM 1341 N ASP A 88 66.871 -6.640 16.982 1.00 0.00 N ATOM 1342 CA ASP A 88 66.532 -7.648 18.028 1.00 0.00 C ATOM 1343 C ASP A 88 66.679 -9.064 17.464 1.00 0.00 C ATOM 1344 O ASP A 88 65.747 -9.628 16.925 1.00 0.00 O ATOM 1345 CB ASP A 88 65.074 -7.363 18.393 1.00 0.00 C ATOM 1346 CG ASP A 88 64.686 -8.185 19.624 1.00 0.00 C ATOM 1347 OD1 ASP A 88 64.390 -9.357 19.460 1.00 0.00 O ATOM 1348 OD2 ASP A 88 64.691 -7.628 20.709 1.00 0.00 O ATOM 0 H ASP A 88 66.718 -6.944 16.020 1.00 0.00 H new ATOM 0 HA ASP A 88 67.189 -7.583 18.895 1.00 0.00 H new ATOM 0 HB2 ASP A 88 64.940 -6.300 18.595 1.00 0.00 H new ATOM 0 HB3 ASP A 88 64.423 -7.613 17.555 1.00 0.00 H new ATOM 1353 N SER A 89 67.842 -9.643 17.586 1.00 0.00 N ATOM 1354 CA SER A 89 68.048 -11.022 17.057 1.00 0.00 C ATOM 1355 C SER A 89 69.420 -11.551 17.482 1.00 0.00 C ATOM 1356 O SER A 89 70.224 -10.756 17.940 1.00 0.00 O ATOM 1357 CB SER A 89 67.974 -10.878 15.538 1.00 0.00 C ATOM 1358 OG SER A 89 67.599 -12.124 14.966 1.00 0.00 O ATOM 1359 OXT SER A 89 69.643 -12.743 17.340 1.00 0.00 O ATOM 0 H SER A 89 68.658 -9.221 18.029 1.00 0.00 H new ATOM 0 HA SER A 89 67.306 -11.726 17.435 1.00 0.00 H new ATOM 0 HB2 SER A 89 67.250 -10.109 15.269 1.00 0.00 H new ATOM 0 HB3 SER A 89 68.939 -10.560 15.144 1.00 0.00 H new ATOM 0 HG SER A 89 67.549 -12.035 13.991 1.00 0.00 H new TER 1365 SER A 89