USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ -178:sc= 0.821 (180deg=0) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.729 USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= 0.375 F(o=-0.044,f=0.89) USER MOD Set 2.2: A 6 SER OG : rot -83:sc= 0.513 USER MOD Single : A 8 SER OG : rot -169:sc= -0.915! USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.117) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 159:sc= 0.244 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 171:sc=-0.00719! USER MOD Single : A 46 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-8.1!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 54 TYR OH : rot 21:sc= 1.04 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -165:sc= 1.87 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.24) USER MOD Single : A 78 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 1.15 (180deg=0.868) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.491 9.013 -8.928 1.00 0.00 N ATOM 2 CA GLU A 2 11.885 10.293 -8.591 1.00 0.00 C ATOM 3 C GLU A 2 11.428 10.238 -7.144 1.00 0.00 C ATOM 4 O GLU A 2 10.954 9.193 -6.678 1.00 0.00 O ATOM 5 CB GLU A 2 10.703 10.609 -9.527 1.00 0.00 C ATOM 6 CG GLU A 2 11.076 10.576 -11.005 1.00 0.00 C ATOM 7 CD GLU A 2 9.979 11.078 -11.918 1.00 0.00 C ATOM 8 OE1 GLU A 2 9.131 10.272 -12.366 1.00 0.00 O ATOM 9 OE2 GLU A 2 9.966 12.290 -12.226 1.00 0.00 O ATOM 0 HA GLU A 2 12.617 11.091 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.903 9.891 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.308 11.595 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.970 11.180 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.330 9.553 -11.284 1.00 0.00 H new ATOM 16 N LEU A 3 11.583 11.325 -6.437 1.00 0.00 N ATOM 17 CA LEU A 3 11.226 11.386 -5.043 1.00 0.00 C ATOM 18 C LEU A 3 9.876 12.051 -4.887 1.00 0.00 C ATOM 19 O LEU A 3 9.446 12.821 -5.754 1.00 0.00 O ATOM 20 CB LEU A 3 12.288 12.155 -4.247 1.00 0.00 C ATOM 21 CG LEU A 3 13.709 11.573 -4.268 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.659 12.468 -3.493 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.727 10.158 -3.693 1.00 0.00 C ATOM 0 H LEU A 3 11.961 12.195 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 3 11.172 10.370 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.330 13.175 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.959 12.217 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 3 14.040 11.524 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.662 12.042 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.675 13.460 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.323 12.546 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.744 9.768 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.373 10.180 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.077 9.516 -4.287 1.00 0.00 H new ATOM 35 N LYS A 4 9.217 11.772 -3.800 1.00 0.00 N ATOM 36 CA LYS A 4 7.920 12.327 -3.546 1.00 0.00 C ATOM 37 C LYS A 4 7.920 13.033 -2.213 1.00 0.00 C ATOM 38 O LYS A 4 8.782 12.770 -1.374 1.00 0.00 O ATOM 39 CB LYS A 4 6.835 11.244 -3.514 1.00 0.00 C ATOM 40 CG LYS A 4 6.931 10.248 -2.346 1.00 0.00 C ATOM 41 CD LYS A 4 7.937 9.135 -2.583 1.00 0.00 C ATOM 42 CE LYS A 4 7.941 8.154 -1.421 1.00 0.00 C ATOM 43 NZ LYS A 4 8.617 6.894 -1.776 1.00 0.00 N ATOM 0 H LYS A 4 9.563 11.154 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 4 7.701 13.023 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.861 11.731 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.875 10.686 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.205 10.788 -1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.949 9.809 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.694 8.610 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.933 9.560 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.440 8.606 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.915 7.944 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.571 6.237 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.146 6.467 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.612 7.087 -2.008 1.00 0.00 H new ATOM 57 N HIS A 5 6.958 13.902 -2.012 1.00 0.00 N ATOM 58 CA HIS A 5 6.803 14.564 -0.735 1.00 0.00 C ATOM 59 C HIS A 5 6.033 13.662 0.249 1.00 0.00 C ATOM 60 O HIS A 5 6.336 13.626 1.447 1.00 0.00 O ATOM 61 CB HIS A 5 6.146 15.970 -0.888 1.00 0.00 C ATOM 62 CG HIS A 5 4.757 15.996 -1.490 1.00 0.00 C ATOM 63 ND1 HIS A 5 3.545 15.939 -0.889 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 4.501 16.103 -2.840 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 2.543 16.006 -1.853 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 3.175 16.108 -3.013 1.00 0.00 N flip ATOM 0 H HIS A 5 6.269 14.168 -2.716 1.00 0.00 H new ATOM 0 HA HIS A 5 7.795 14.736 -0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.102 16.437 0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.799 16.588 -1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.242 16.171 -3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.476 15.980 -1.690 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.711 16.181 -3.919 1.00 0.00 H new ATOM 74 N SER A 6 5.079 12.889 -0.264 1.00 0.00 N ATOM 75 CA SER A 6 4.284 12.010 0.573 1.00 0.00 C ATOM 76 C SER A 6 3.626 10.944 -0.278 1.00 0.00 C ATOM 77 O SER A 6 3.867 10.873 -1.484 1.00 0.00 O ATOM 78 CB SER A 6 3.197 12.824 1.278 1.00 0.00 C ATOM 79 OG SER A 6 2.273 13.358 0.341 1.00 0.00 O ATOM 0 H SER A 6 4.842 12.857 -1.256 1.00 0.00 H new ATOM 0 HA SER A 6 4.933 11.538 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.671 12.192 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.655 13.635 1.845 1.00 0.00 H new ATOM 0 HG SER A 6 2.633 14.188 -0.036 1.00 0.00 H new ATOM 85 N ILE A 7 2.789 10.136 0.347 1.00 0.00 N ATOM 86 CA ILE A 7 1.998 9.145 -0.348 1.00 0.00 C ATOM 87 C ILE A 7 0.922 9.849 -1.197 1.00 0.00 C ATOM 88 O ILE A 7 0.484 9.328 -2.206 1.00 0.00 O ATOM 89 CB ILE A 7 1.327 8.158 0.649 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.513 7.093 -0.102 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.460 8.907 1.654 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.121 6.065 0.791 1.00 0.00 C ATOM 0 H ILE A 7 2.640 10.151 1.356 1.00 0.00 H new ATOM 0 HA ILE A 7 2.659 8.569 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 7 2.114 7.647 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.267 7.588 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.165 6.588 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.001 8.195 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.077 9.607 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.320 9.455 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.677 5.350 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.654 5.541 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.801 6.557 1.487 1.00 0.00 H new ATOM 104 N SER A 8 0.562 11.074 -0.804 1.00 0.00 N ATOM 105 CA SER A 8 -0.430 11.842 -1.514 1.00 0.00 C ATOM 106 C SER A 8 0.132 12.370 -2.832 1.00 0.00 C ATOM 107 O SER A 8 -0.593 12.958 -3.633 1.00 0.00 O ATOM 108 CB SER A 8 -0.934 12.993 -0.651 1.00 0.00 C ATOM 109 OG SER A 8 -1.515 12.541 0.561 1.00 0.00 O ATOM 0 H SER A 8 0.954 11.547 0.010 1.00 0.00 H new ATOM 0 HA SER A 8 -1.270 11.185 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.106 13.665 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.670 13.570 -1.211 1.00 0.00 H new ATOM 0 HG SER A 8 -1.977 13.286 1.000 1.00 0.00 H new ATOM 115 N ASP A 9 1.439 12.211 -3.021 1.00 0.00 N ATOM 116 CA ASP A 9 2.074 12.535 -4.299 1.00 0.00 C ATOM 117 C ASP A 9 1.771 11.426 -5.300 1.00 0.00 C ATOM 118 O ASP A 9 1.582 11.675 -6.500 1.00 0.00 O ATOM 119 CB ASP A 9 3.582 12.674 -4.131 1.00 0.00 C ATOM 120 CG ASP A 9 4.292 13.078 -5.412 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.438 14.290 -5.664 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.752 12.195 -6.164 1.00 0.00 O ATOM 0 H ASP A 9 2.079 11.861 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 9 1.679 13.484 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.788 13.416 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.991 11.727 -3.780 1.00 0.00 H new ATOM 127 N TYR A 10 1.691 10.202 -4.790 1.00 0.00 N ATOM 128 CA TYR A 10 1.354 9.042 -5.594 1.00 0.00 C ATOM 129 C TYR A 10 -0.103 9.094 -5.915 1.00 0.00 C ATOM 130 O TYR A 10 -0.899 9.551 -5.104 1.00 0.00 O ATOM 131 CB TYR A 10 1.610 7.720 -4.840 1.00 0.00 C ATOM 132 CG TYR A 10 3.050 7.321 -4.648 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.832 7.897 -3.668 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.620 6.329 -5.440 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.131 7.505 -3.486 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.929 5.935 -5.260 1.00 0.00 C ATOM 137 CZ TYR A 10 5.680 6.531 -4.277 1.00 0.00 C ATOM 138 OH TYR A 10 6.994 6.152 -4.075 1.00 0.00 O ATOM 0 H TYR A 10 1.859 9.990 -3.806 1.00 0.00 H new ATOM 0 HA TYR A 10 1.978 9.066 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.143 7.792 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.103 6.918 -5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.414 8.667 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.026 5.859 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.727 7.967 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.359 5.166 -5.885 1.00 0.00 H new ATOM 0 HH TYR A 10 7.234 5.450 -4.715 1.00 0.00 H new ATOM 148 N THR A 11 -0.468 8.657 -7.072 1.00 0.00 N ATOM 149 CA THR A 11 -1.850 8.575 -7.395 1.00 0.00 C ATOM 150 C THR A 11 -2.366 7.250 -6.859 1.00 0.00 C ATOM 151 O THR A 11 -1.563 6.429 -6.352 1.00 0.00 O ATOM 152 CB THR A 11 -2.067 8.628 -8.912 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.419 7.508 -9.517 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.508 9.919 -9.500 1.00 0.00 C ATOM 0 H THR A 11 0.169 8.352 -7.808 1.00 0.00 H new ATOM 0 HA THR A 11 -2.381 9.418 -6.952 1.00 0.00 H new ATOM 0 HB THR A 11 -3.138 8.597 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.556 7.536 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.675 9.931 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.010 10.773 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.438 9.977 -9.298 1.00 0.00 H new ATOM 162 N GLU A 12 -3.661 7.011 -6.974 1.00 0.00 N ATOM 163 CA GLU A 12 -4.230 5.755 -6.533 1.00 0.00 C ATOM 164 C GLU A 12 -3.605 4.627 -7.345 1.00 0.00 C ATOM 165 O GLU A 12 -3.225 3.607 -6.811 1.00 0.00 O ATOM 166 CB GLU A 12 -5.749 5.758 -6.716 1.00 0.00 C ATOM 167 CG GLU A 12 -6.439 4.514 -6.179 1.00 0.00 C ATOM 168 CD GLU A 12 -7.917 4.518 -6.440 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.653 5.260 -5.759 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.382 3.777 -7.333 1.00 0.00 O ATOM 0 H GLU A 12 -4.334 7.669 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.020 5.612 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.163 6.634 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.977 5.858 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.995 3.630 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.263 4.440 -5.106 1.00 0.00 H new ATOM 177 N ALA A 13 -3.430 4.886 -8.622 1.00 0.00 N ATOM 178 CA ALA A 13 -2.877 3.920 -9.562 1.00 0.00 C ATOM 179 C ALA A 13 -1.420 3.606 -9.261 1.00 0.00 C ATOM 180 O ALA A 13 -1.028 2.440 -9.274 1.00 0.00 O ATOM 181 CB ALA A 13 -3.020 4.422 -10.984 1.00 0.00 C ATOM 0 H ALA A 13 -3.669 5.782 -9.048 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.445 2.996 -9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.602 3.688 -11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.075 4.574 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.486 5.366 -11.092 1.00 0.00 H new ATOM 187 N GLU A 14 -0.626 4.637 -8.968 1.00 0.00 N ATOM 188 CA GLU A 14 0.800 4.447 -8.658 1.00 0.00 C ATOM 189 C GLU A 14 0.961 3.671 -7.375 1.00 0.00 C ATOM 190 O GLU A 14 1.851 2.835 -7.246 1.00 0.00 O ATOM 191 CB GLU A 14 1.549 5.781 -8.550 1.00 0.00 C ATOM 192 CG GLU A 14 1.540 6.626 -9.807 1.00 0.00 C ATOM 193 CD GLU A 14 2.086 5.901 -11.000 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.314 5.674 -11.071 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.311 5.540 -11.890 1.00 0.00 O ATOM 0 H GLU A 14 -0.939 5.607 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 14 1.235 3.884 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.111 6.361 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.584 5.578 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.519 6.945 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.127 7.529 -9.636 1.00 0.00 H new ATOM 202 N PHE A 15 0.095 3.928 -6.440 1.00 0.00 N ATOM 203 CA PHE A 15 0.137 3.226 -5.192 1.00 0.00 C ATOM 204 C PHE A 15 -0.395 1.830 -5.373 1.00 0.00 C ATOM 205 O PHE A 15 0.047 0.917 -4.750 1.00 0.00 O ATOM 206 CB PHE A 15 -0.625 3.968 -4.129 1.00 0.00 C ATOM 207 CG PHE A 15 -0.496 3.351 -2.784 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.596 3.638 -1.996 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.471 2.496 -2.300 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.718 3.084 -0.755 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.357 1.949 -1.057 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.261 2.244 -0.286 1.00 0.00 C ATOM 0 H PHE A 15 -0.650 4.620 -6.518 1.00 0.00 H new ATOM 0 HA PHE A 15 1.173 3.161 -4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.269 4.997 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.679 4.007 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.361 4.306 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.329 2.260 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.581 3.305 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.124 1.288 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.168 1.811 0.699 1.00 0.00 H new ATOM 222 N LEU A 16 -1.321 1.674 -6.239 1.00 0.00 N ATOM 223 CA LEU A 16 -1.873 0.372 -6.525 1.00 0.00 C ATOM 224 C LEU A 16 -0.843 -0.469 -7.265 1.00 0.00 C ATOM 225 O LEU A 16 -0.902 -1.694 -7.284 1.00 0.00 O ATOM 226 CB LEU A 16 -3.184 0.566 -7.269 1.00 0.00 C ATOM 227 CG LEU A 16 -4.091 -0.601 -7.347 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.515 -0.158 -7.114 1.00 0.00 C ATOM 229 CD2 LEU A 16 -4.008 -1.226 -8.668 1.00 0.00 C ATOM 0 H LEU A 16 -1.731 2.435 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.103 -0.185 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.725 1.385 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.953 0.884 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.791 -1.319 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.179 -1.021 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.598 0.297 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.799 0.570 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.681 -2.082 -8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.295 -0.503 -9.431 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.986 -1.559 -8.849 1.00 0.00 H new ATOM 241 N GLU A 17 0.094 0.194 -7.841 1.00 0.00 N ATOM 242 CA GLU A 17 1.244 -0.458 -8.376 1.00 0.00 C ATOM 243 C GLU A 17 2.250 -0.815 -7.278 1.00 0.00 C ATOM 244 O GLU A 17 3.066 -1.669 -7.495 1.00 0.00 O ATOM 245 CB GLU A 17 1.915 0.290 -9.524 1.00 0.00 C ATOM 246 CG GLU A 17 1.082 0.361 -10.786 1.00 0.00 C ATOM 247 CD GLU A 17 1.862 0.891 -11.959 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.122 2.096 -12.014 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.217 0.100 -12.869 1.00 0.00 O ATOM 0 H GLU A 17 0.089 1.207 -7.957 1.00 0.00 H new ATOM 0 HA GLU A 17 0.868 -1.382 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.147 1.304 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.864 -0.195 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.703 -0.633 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.216 0.999 -10.611 1.00 0.00 H new ATOM 256 N PHE A 18 2.172 -0.154 -6.082 1.00 0.00 N ATOM 257 CA PHE A 18 3.093 -0.471 -4.927 1.00 0.00 C ATOM 258 C PHE A 18 3.012 -1.936 -4.654 1.00 0.00 C ATOM 259 O PHE A 18 4.005 -2.653 -4.636 1.00 0.00 O ATOM 260 CB PHE A 18 2.736 0.339 -3.568 1.00 0.00 C ATOM 261 CG PHE A 18 1.989 -0.433 -2.365 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.584 -0.569 -2.302 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.717 -1.013 -1.323 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.041 -1.258 -1.233 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.083 -1.691 -0.272 1.00 0.00 C ATOM 266 CZ PHE A 18 0.714 -1.810 -0.236 1.00 0.00 C ATOM 0 H PHE A 18 1.498 0.587 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 18 4.097 -0.162 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.668 0.741 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.115 1.190 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.025 -0.140 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.794 -0.937 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.117 -1.347 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.677 -2.125 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.237 -2.337 0.577 1.00 0.00 H new ATOM 276 N VAL A 19 1.808 -2.362 -4.533 1.00 0.00 N ATOM 277 CA VAL A 19 1.478 -3.693 -4.171 1.00 0.00 C ATOM 278 C VAL A 19 1.750 -4.676 -5.312 1.00 0.00 C ATOM 279 O VAL A 19 2.294 -5.762 -5.093 1.00 0.00 O ATOM 280 CB VAL A 19 0.016 -3.748 -3.649 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.965 -3.207 -4.655 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.362 -5.115 -3.138 1.00 0.00 C ATOM 0 H VAL A 19 0.992 -1.770 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 19 2.128 -4.012 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.034 -3.084 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.974 -3.265 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.723 -2.168 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.909 -3.796 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.393 -5.099 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.265 -5.844 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.299 -5.392 -2.316 1.00 0.00 H new ATOM 292 N LYS A 20 1.419 -4.268 -6.525 1.00 0.00 N ATOM 293 CA LYS A 20 1.685 -5.073 -7.704 1.00 0.00 C ATOM 294 C LYS A 20 3.185 -5.252 -7.880 1.00 0.00 C ATOM 295 O LYS A 20 3.667 -6.329 -8.263 1.00 0.00 O ATOM 296 CB LYS A 20 1.076 -4.413 -8.927 1.00 0.00 C ATOM 297 CG LYS A 20 -0.413 -4.584 -8.969 1.00 0.00 C ATOM 298 CD LYS A 20 -1.081 -3.562 -9.843 1.00 0.00 C ATOM 299 CE LYS A 20 -2.562 -3.852 -9.988 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.840 -4.911 -10.964 1.00 0.00 N ATOM 0 H LYS A 20 0.962 -3.377 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 20 1.232 -6.056 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.320 -3.351 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.516 -4.840 -9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.651 -5.583 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.813 -4.511 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.942 -2.568 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.610 -3.556 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.968 -4.142 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.078 -2.941 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.866 -5.068 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.479 -4.627 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.372 -5.790 -10.665 1.00 0.00 H new ATOM 314 N LYS A 21 3.916 -4.195 -7.572 1.00 0.00 N ATOM 315 CA LYS A 21 5.344 -4.195 -7.630 1.00 0.00 C ATOM 316 C LYS A 21 5.900 -5.150 -6.611 1.00 0.00 C ATOM 317 O LYS A 21 6.692 -5.965 -6.952 1.00 0.00 O ATOM 318 CB LYS A 21 5.922 -2.795 -7.418 1.00 0.00 C ATOM 319 CG LYS A 21 7.427 -2.736 -7.571 1.00 0.00 C ATOM 320 CD LYS A 21 7.967 -1.330 -7.420 1.00 0.00 C ATOM 321 CE LYS A 21 7.847 -0.786 -6.006 1.00 0.00 C ATOM 322 NZ LYS A 21 8.496 0.540 -5.895 1.00 0.00 N ATOM 0 H LYS A 21 3.516 -3.306 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 21 5.637 -4.521 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.465 -2.109 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.652 -2.445 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.891 -3.383 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.706 -3.126 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.015 -1.317 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.433 -0.668 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.795 -0.705 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.308 -1.481 -5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.537 0.824 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.461 0.488 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.947 1.241 -6.432 1.00 0.00 H new ATOM 336 N ILE A 22 5.444 -5.061 -5.369 1.00 0.00 N ATOM 337 CA ILE A 22 5.900 -5.971 -4.295 1.00 0.00 C ATOM 338 C ILE A 22 5.680 -7.434 -4.709 1.00 0.00 C ATOM 339 O ILE A 22 6.550 -8.287 -4.532 1.00 0.00 O ATOM 340 CB ILE A 22 5.161 -5.676 -2.958 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.461 -4.243 -2.520 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.576 -6.672 -1.867 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.738 -3.794 -1.289 1.00 0.00 C ATOM 0 H ILE A 22 4.757 -4.370 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 22 6.965 -5.801 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 22 4.088 -5.789 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.533 -4.148 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.208 -3.568 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.044 -6.442 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.329 -7.685 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.650 -6.597 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.016 -2.766 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.663 -3.850 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.008 -4.439 -0.453 1.00 0.00 H new ATOM 355 N CYS A 23 4.543 -7.678 -5.325 1.00 0.00 N ATOM 356 CA CYS A 23 4.168 -8.985 -5.810 1.00 0.00 C ATOM 357 C CYS A 23 5.209 -9.536 -6.830 1.00 0.00 C ATOM 358 O CYS A 23 5.497 -10.727 -6.850 1.00 0.00 O ATOM 359 CB CYS A 23 2.772 -8.910 -6.441 1.00 0.00 C ATOM 360 SG CYS A 23 2.103 -10.481 -7.008 1.00 0.00 S ATOM 0 H CYS A 23 3.842 -6.959 -5.505 1.00 0.00 H new ATOM 0 HA CYS A 23 4.148 -9.677 -4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.084 -8.482 -5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.809 -8.223 -7.286 1.00 0.00 H new ATOM 0 HG CYS A 23 0.923 -10.291 -7.518 1.00 0.00 H new ATOM 366 N ARG A 24 5.784 -8.668 -7.652 1.00 0.00 N ATOM 367 CA ARG A 24 6.760 -9.117 -8.648 1.00 0.00 C ATOM 368 C ARG A 24 8.216 -8.927 -8.153 1.00 0.00 C ATOM 369 O ARG A 24 9.034 -9.834 -8.239 1.00 0.00 O ATOM 370 CB ARG A 24 6.549 -8.403 -10.004 1.00 0.00 C ATOM 371 CG ARG A 24 6.852 -6.922 -9.990 1.00 0.00 C ATOM 372 CD ARG A 24 6.727 -6.305 -11.349 1.00 0.00 C ATOM 373 NE ARG A 24 7.282 -4.938 -11.357 1.00 0.00 N ATOM 374 CZ ARG A 24 6.731 -3.870 -11.953 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.562 -3.974 -12.585 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.358 -2.701 -11.905 1.00 0.00 N ATOM 0 H ARG A 24 5.599 -7.665 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 24 6.596 -10.184 -8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.179 -8.882 -10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.515 -8.546 -10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.172 -6.420 -9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.862 -6.763 -9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.251 -6.919 -12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.679 -6.278 -11.646 1.00 0.00 H new ATOM 0 HE ARG A 24 8.164 -4.792 -10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.078 -4.871 -12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.151 -3.156 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.251 -2.621 -11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.947 -1.883 -12.355 1.00 0.00 H new ATOM 390 N ALA A 25 8.467 -7.780 -7.542 1.00 0.00 N ATOM 391 CA ALA A 25 9.783 -7.295 -7.119 1.00 0.00 C ATOM 392 C ALA A 25 10.176 -7.813 -5.753 1.00 0.00 C ATOM 393 O ALA A 25 10.993 -7.214 -5.073 1.00 0.00 O ATOM 394 CB ALA A 25 9.813 -5.773 -7.137 1.00 0.00 C ATOM 0 H ALA A 25 7.722 -7.123 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 25 10.514 -7.680 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.796 -5.425 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.610 -5.417 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.055 -5.386 -6.456 1.00 0.00 H new ATOM 400 N GLU A 26 9.578 -8.907 -5.365 1.00 0.00 N ATOM 401 CA GLU A 26 9.856 -9.608 -4.102 1.00 0.00 C ATOM 402 C GLU A 26 11.367 -9.943 -3.934 1.00 0.00 C ATOM 403 O GLU A 26 11.837 -10.241 -2.824 1.00 0.00 O ATOM 404 CB GLU A 26 9.092 -10.914 -4.123 1.00 0.00 C ATOM 405 CG GLU A 26 9.492 -11.790 -5.296 1.00 0.00 C ATOM 406 CD GLU A 26 8.878 -13.135 -5.266 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.777 -13.305 -5.798 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.509 -14.071 -4.742 1.00 0.00 O ATOM 0 H GLU A 26 8.858 -9.364 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 26 9.558 -8.960 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.269 -11.452 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.023 -10.707 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.210 -11.292 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.577 -11.895 -5.307 1.00 0.00 H new ATOM 415 N GLY A 27 12.089 -9.945 -5.052 1.00 0.00 N ATOM 416 CA GLY A 27 13.476 -10.287 -5.057 1.00 0.00 C ATOM 417 C GLY A 27 13.622 -11.766 -5.005 1.00 0.00 C ATOM 418 O GLY A 27 13.396 -12.460 -6.011 1.00 0.00 O ATOM 0 H GLY A 27 11.713 -9.707 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.955 -9.895 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.977 -9.831 -4.203 1.00 0.00 H new ATOM 422 N ALA A 28 13.941 -12.256 -3.854 1.00 0.00 N ATOM 423 CA ALA A 28 14.054 -13.660 -3.635 1.00 0.00 C ATOM 424 C ALA A 28 13.602 -13.951 -2.238 1.00 0.00 C ATOM 425 O ALA A 28 12.476 -14.404 -2.019 1.00 0.00 O ATOM 426 CB ALA A 28 15.480 -14.129 -3.855 1.00 0.00 C ATOM 0 H ALA A 28 14.133 -11.687 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 28 13.428 -14.199 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.540 -15.203 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.781 -13.909 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.144 -13.612 -3.162 1.00 0.00 H new ATOM 432 N THR A 29 14.418 -13.589 -1.294 1.00 0.00 N ATOM 433 CA THR A 29 14.114 -13.802 0.072 1.00 0.00 C ATOM 434 C THR A 29 13.150 -12.734 0.563 1.00 0.00 C ATOM 435 O THR A 29 13.110 -11.613 0.008 1.00 0.00 O ATOM 436 CB THR A 29 15.404 -13.825 0.916 1.00 0.00 C ATOM 437 OG1 THR A 29 16.291 -12.779 0.480 1.00 0.00 O ATOM 438 CG2 THR A 29 16.105 -15.169 0.814 1.00 0.00 C ATOM 0 H THR A 29 15.316 -13.136 -1.460 1.00 0.00 H new ATOM 0 HA THR A 29 13.631 -14.773 0.182 1.00 0.00 H new ATOM 0 HB THR A 29 15.130 -13.663 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.925 -12.568 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.011 -15.154 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.441 -15.954 1.174 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.367 -15.365 -0.226 1.00 0.00 H new ATOM 446 N GLU A 30 12.373 -13.086 1.577 1.00 0.00 N ATOM 447 CA GLU A 30 11.366 -12.221 2.204 1.00 0.00 C ATOM 448 C GLU A 30 11.902 -10.827 2.527 1.00 0.00 C ATOM 449 O GLU A 30 11.167 -9.864 2.484 1.00 0.00 O ATOM 450 CB GLU A 30 10.856 -12.871 3.489 1.00 0.00 C ATOM 451 CG GLU A 30 11.979 -13.294 4.418 1.00 0.00 C ATOM 452 CD GLU A 30 11.516 -13.653 5.788 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.011 -14.764 5.999 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.661 -12.821 6.703 1.00 0.00 O ATOM 0 H GLU A 30 12.422 -14.011 2.005 1.00 0.00 H new ATOM 0 HA GLU A 30 10.557 -12.103 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.203 -12.171 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.252 -13.742 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.497 -14.149 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.705 -12.484 4.489 1.00 0.00 H new ATOM 461 N GLU A 31 13.190 -10.739 2.817 1.00 0.00 N ATOM 462 CA GLU A 31 13.830 -9.491 3.174 1.00 0.00 C ATOM 463 C GLU A 31 13.672 -8.426 2.071 1.00 0.00 C ATOM 464 O GLU A 31 13.368 -7.275 2.360 1.00 0.00 O ATOM 465 CB GLU A 31 15.317 -9.735 3.473 1.00 0.00 C ATOM 466 CG GLU A 31 16.106 -10.231 2.274 1.00 0.00 C ATOM 467 CD GLU A 31 17.516 -10.589 2.587 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.335 -9.683 2.832 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.844 -11.784 2.552 1.00 0.00 O ATOM 0 H GLU A 31 13.822 -11.539 2.810 1.00 0.00 H new ATOM 0 HA GLU A 31 13.338 -9.107 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.763 -8.808 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.402 -10.463 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.604 -11.104 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.100 -9.461 1.503 1.00 0.00 H new ATOM 476 N ASP A 32 13.836 -8.831 0.806 1.00 0.00 N ATOM 477 CA ASP A 32 13.812 -7.880 -0.313 1.00 0.00 C ATOM 478 C ASP A 32 12.381 -7.457 -0.623 1.00 0.00 C ATOM 479 O ASP A 32 12.124 -6.387 -1.173 1.00 0.00 O ATOM 480 CB ASP A 32 14.537 -8.447 -1.552 1.00 0.00 C ATOM 481 CG ASP A 32 14.806 -7.364 -2.598 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.412 -6.331 -2.256 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.461 -7.532 -3.787 1.00 0.00 O ATOM 0 H ASP A 32 13.986 -9.802 0.532 1.00 0.00 H new ATOM 0 HA ASP A 32 14.361 -6.986 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.480 -8.899 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.933 -9.239 -1.996 1.00 0.00 H new ATOM 488 N ASP A 33 11.471 -8.296 -0.218 1.00 0.00 N ATOM 489 CA ASP A 33 10.037 -8.076 -0.360 1.00 0.00 C ATOM 490 C ASP A 33 9.575 -7.130 0.741 1.00 0.00 C ATOM 491 O ASP A 33 9.037 -6.041 0.484 1.00 0.00 O ATOM 492 CB ASP A 33 9.341 -9.443 -0.217 1.00 0.00 C ATOM 493 CG ASP A 33 7.822 -9.427 -0.252 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.191 -9.191 0.797 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.247 -9.774 -1.301 1.00 0.00 O ATOM 0 H ASP A 33 11.700 -9.181 0.235 1.00 0.00 H new ATOM 0 HA ASP A 33 9.795 -7.634 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.696 -10.094 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.658 -9.892 0.724 1.00 0.00 H new ATOM 500 N ASN A 34 9.889 -7.516 1.959 1.00 0.00 N ATOM 501 CA ASN A 34 9.485 -6.825 3.163 1.00 0.00 C ATOM 502 C ASN A 34 10.067 -5.418 3.249 1.00 0.00 C ATOM 503 O ASN A 34 9.407 -4.500 3.737 1.00 0.00 O ATOM 504 CB ASN A 34 9.898 -7.651 4.372 1.00 0.00 C ATOM 505 CG ASN A 34 9.374 -7.131 5.680 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.316 -6.529 5.748 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.085 -7.385 6.726 1.00 0.00 N ATOM 0 H ASN A 34 10.451 -8.347 2.144 1.00 0.00 H new ATOM 0 HA ASN A 34 8.401 -6.711 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.550 -8.675 4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.986 -7.688 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.766 -7.080 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.966 -7.891 6.633 1.00 0.00 H new ATOM 514 N LYS A 35 11.283 -5.222 2.747 1.00 0.00 N ATOM 515 CA LYS A 35 11.884 -3.896 2.789 1.00 0.00 C ATOM 516 C LYS A 35 11.134 -2.895 1.907 1.00 0.00 C ATOM 517 O LYS A 35 11.196 -1.680 2.146 1.00 0.00 O ATOM 518 CB LYS A 35 13.385 -3.910 2.496 1.00 0.00 C ATOM 519 CG LYS A 35 13.791 -4.386 1.125 1.00 0.00 C ATOM 520 CD LYS A 35 15.305 -4.340 0.968 1.00 0.00 C ATOM 521 CE LYS A 35 16.028 -5.328 1.890 1.00 0.00 C ATOM 522 NZ LYS A 35 17.499 -5.259 1.738 1.00 0.00 N ATOM 0 H LYS A 35 11.858 -5.946 2.317 1.00 0.00 H new ATOM 0 HA LYS A 35 11.782 -3.553 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.771 -2.900 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.873 -4.543 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.434 -5.404 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.322 -3.762 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.565 -4.559 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.657 -3.330 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.761 -5.118 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.689 -6.341 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.947 -5.944 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.758 -5.485 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.827 -4.300 1.971 1.00 0.00 H new ATOM 536 N LEU A 36 10.424 -3.388 0.890 1.00 0.00 N ATOM 537 CA LEU A 36 9.560 -2.513 0.113 1.00 0.00 C ATOM 538 C LEU A 36 8.327 -2.217 0.926 1.00 0.00 C ATOM 539 O LEU A 36 7.941 -1.067 1.085 1.00 0.00 O ATOM 540 CB LEU A 36 9.142 -3.119 -1.240 1.00 0.00 C ATOM 541 CG LEU A 36 10.247 -3.357 -2.265 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.657 -3.987 -3.516 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.946 -2.043 -2.613 1.00 0.00 C ATOM 0 H LEU A 36 10.432 -4.364 0.594 1.00 0.00 H new ATOM 0 HA LEU A 36 10.123 -1.606 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.649 -4.072 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.399 -2.461 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 36 10.986 -4.035 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.448 -4.156 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.191 -4.938 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.908 -3.319 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.731 -2.231 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.221 -1.344 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.385 -1.615 -1.712 1.00 0.00 H new ATOM 555 N VAL A 37 7.754 -3.266 1.487 1.00 0.00 N ATOM 556 CA VAL A 37 6.539 -3.173 2.292 1.00 0.00 C ATOM 557 C VAL A 37 6.710 -2.145 3.421 1.00 0.00 C ATOM 558 O VAL A 37 5.882 -1.258 3.587 1.00 0.00 O ATOM 559 CB VAL A 37 6.164 -4.549 2.912 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.865 -4.446 3.673 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.055 -5.623 1.848 1.00 0.00 C ATOM 0 H VAL A 37 8.117 -4.215 1.399 1.00 0.00 H new ATOM 0 HA VAL A 37 5.737 -2.854 1.627 1.00 0.00 H new ATOM 0 HB VAL A 37 6.961 -4.831 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.616 -5.417 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.969 -3.713 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.070 -4.134 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.792 -6.572 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.284 -5.346 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.011 -5.724 1.334 1.00 0.00 H new ATOM 571 N ARG A 38 7.821 -2.243 4.138 1.00 0.00 N ATOM 572 CA ARG A 38 8.111 -1.357 5.264 1.00 0.00 C ATOM 573 C ARG A 38 8.118 0.126 4.892 1.00 0.00 C ATOM 574 O ARG A 38 7.627 0.955 5.669 1.00 0.00 O ATOM 575 CB ARG A 38 9.420 -1.723 5.959 1.00 0.00 C ATOM 576 CG ARG A 38 9.403 -3.053 6.688 1.00 0.00 C ATOM 577 CD ARG A 38 10.707 -3.282 7.427 1.00 0.00 C ATOM 578 NE ARG A 38 10.678 -4.513 8.223 1.00 0.00 N ATOM 579 CZ ARG A 38 11.683 -4.971 8.992 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.809 -4.285 9.112 1.00 0.00 N ATOM 581 NH2 ARG A 38 11.544 -6.108 9.650 1.00 0.00 N ATOM 0 H ARG A 38 8.547 -2.936 3.958 1.00 0.00 H new ATOM 0 HA ARG A 38 7.285 -1.511 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.217 -1.742 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.669 -0.937 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.572 -3.075 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.238 -3.861 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.526 -3.333 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.908 -2.433 8.080 1.00 0.00 H new ATOM 0 HE ARG A 38 9.824 -5.069 8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.922 -3.399 8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.564 -4.642 9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.676 -6.638 9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.305 -6.456 10.233 1.00 0.00 H new ATOM 595 N GLU A 39 8.649 0.477 3.715 1.00 0.00 N ATOM 596 CA GLU A 39 8.702 1.888 3.341 1.00 0.00 C ATOM 597 C GLU A 39 7.308 2.386 2.983 1.00 0.00 C ATOM 598 O GLU A 39 6.905 3.481 3.392 1.00 0.00 O ATOM 599 CB GLU A 39 9.722 2.193 2.209 1.00 0.00 C ATOM 600 CG GLU A 39 9.380 1.637 0.833 1.00 0.00 C ATOM 601 CD GLU A 39 10.396 2.015 -0.212 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.516 1.478 -0.198 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.094 2.878 -1.067 1.00 0.00 O ATOM 0 H GLU A 39 9.034 -0.172 3.029 1.00 0.00 H new ATOM 0 HA GLU A 39 9.066 2.433 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.829 3.275 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.694 1.799 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.310 0.551 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.399 2.004 0.530 1.00 0.00 H new ATOM 610 N PHE A 40 6.553 1.548 2.278 1.00 0.00 N ATOM 611 CA PHE A 40 5.200 1.885 1.885 1.00 0.00 C ATOM 612 C PHE A 40 4.298 2.010 3.092 1.00 0.00 C ATOM 613 O PHE A 40 3.520 2.949 3.196 1.00 0.00 O ATOM 614 CB PHE A 40 4.642 0.883 0.881 1.00 0.00 C ATOM 615 CG PHE A 40 5.258 0.982 -0.492 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.011 2.084 -1.295 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.068 -0.023 -0.981 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.563 2.173 -2.558 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.620 0.058 -2.239 1.00 0.00 C ATOM 620 CZ PHE A 40 6.367 1.157 -3.028 1.00 0.00 C ATOM 0 H PHE A 40 6.863 0.627 1.969 1.00 0.00 H new ATOM 0 HA PHE A 40 5.234 2.856 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.797 -0.125 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.565 1.030 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.381 2.881 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.272 -0.887 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.365 3.037 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.250 -0.739 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.799 1.223 -4.016 1.00 0.00 H new ATOM 630 N GLU A 41 4.468 1.103 4.026 1.00 0.00 N ATOM 631 CA GLU A 41 3.717 1.102 5.258 1.00 0.00 C ATOM 632 C GLU A 41 3.994 2.294 6.167 1.00 0.00 C ATOM 633 O GLU A 41 3.245 2.573 7.096 1.00 0.00 O ATOM 634 CB GLU A 41 3.827 -0.234 5.972 1.00 0.00 C ATOM 635 CG GLU A 41 2.800 -1.192 5.429 1.00 0.00 C ATOM 636 CD GLU A 41 1.449 -0.615 5.656 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.943 -0.783 6.782 1.00 0.00 O ATOM 638 OE2 GLU A 41 0.868 -0.009 4.740 1.00 0.00 O ATOM 0 H GLU A 41 5.138 0.338 3.950 1.00 0.00 H new ATOM 0 HA GLU A 41 2.673 1.233 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.827 -0.646 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.679 -0.097 7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.965 -1.361 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.886 -2.160 5.923 1.00 0.00 H new ATOM 645 N ARG A 42 5.075 2.992 5.923 1.00 0.00 N ATOM 646 CA ARG A 42 5.374 4.200 6.680 1.00 0.00 C ATOM 647 C ARG A 42 4.682 5.373 6.021 1.00 0.00 C ATOM 648 O ARG A 42 4.272 6.331 6.677 1.00 0.00 O ATOM 649 CB ARG A 42 6.866 4.419 6.704 1.00 0.00 C ATOM 650 CG ARG A 42 7.343 5.555 7.593 1.00 0.00 C ATOM 651 CD ARG A 42 6.924 5.366 9.047 1.00 0.00 C ATOM 652 NE ARG A 42 7.455 6.428 9.910 1.00 0.00 N ATOM 653 CZ ARG A 42 6.837 6.937 10.992 1.00 0.00 C ATOM 654 NH1 ARG A 42 5.619 6.528 11.327 1.00 0.00 N ATOM 655 NH2 ARG A 42 7.446 7.860 11.732 1.00 0.00 N ATOM 0 H ARG A 42 5.765 2.753 5.211 1.00 0.00 H new ATOM 0 HA ARG A 42 5.018 4.100 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.346 3.497 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.205 4.610 5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.429 5.626 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.942 6.498 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.836 5.354 9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.276 4.398 9.404 1.00 0.00 H new ATOM 0 HE ARG A 42 8.369 6.812 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.145 5.823 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.158 6.919 12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.380 8.181 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.978 8.246 12.552 1.00 0.00 H new ATOM 669 N LEU A 43 4.567 5.275 4.730 1.00 0.00 N ATOM 670 CA LEU A 43 3.887 6.278 3.926 1.00 0.00 C ATOM 671 C LEU A 43 2.382 6.248 4.222 1.00 0.00 C ATOM 672 O LEU A 43 1.725 7.290 4.329 1.00 0.00 O ATOM 673 CB LEU A 43 4.149 6.016 2.433 1.00 0.00 C ATOM 674 CG LEU A 43 5.622 6.033 1.994 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.756 5.626 0.537 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.236 7.414 2.212 1.00 0.00 C ATOM 0 H LEU A 43 4.941 4.495 4.190 1.00 0.00 H new ATOM 0 HA LEU A 43 4.272 7.266 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.725 5.046 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.609 6.764 1.853 1.00 0.00 H new ATOM 0 HG LEU A 43 6.162 5.311 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.807 5.645 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.362 4.619 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.196 6.321 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.279 7.403 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.687 8.153 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.181 7.674 3.269 1.00 0.00 H new ATOM 688 N THR A 44 1.859 5.064 4.376 1.00 0.00 N ATOM 689 CA THR A 44 0.465 4.858 4.678 1.00 0.00 C ATOM 690 C THR A 44 0.196 5.099 6.148 1.00 0.00 C ATOM 691 O THR A 44 -0.875 5.604 6.527 1.00 0.00 O ATOM 692 CB THR A 44 0.104 3.410 4.339 1.00 0.00 C ATOM 693 OG1 THR A 44 1.000 2.557 5.035 1.00 0.00 O ATOM 694 CG2 THR A 44 0.269 3.189 2.871 1.00 0.00 C ATOM 0 H THR A 44 2.395 4.200 4.295 1.00 0.00 H new ATOM 0 HA THR A 44 -0.135 5.555 4.093 1.00 0.00 H new ATOM 0 HB THR A 44 -0.927 3.202 4.625 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.701 1.628 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.012 2.158 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.389 3.865 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.304 3.382 2.588 1.00 0.00 H new ATOM 702 N GLU A 45 1.202 4.736 6.966 1.00 0.00 N ATOM 703 CA GLU A 45 1.121 4.708 8.421 1.00 0.00 C ATOM 704 C GLU A 45 0.093 3.665 8.803 1.00 0.00 C ATOM 705 O GLU A 45 -0.462 3.675 9.920 1.00 0.00 O ATOM 706 CB GLU A 45 0.737 6.046 9.039 1.00 0.00 C ATOM 707 CG GLU A 45 1.678 7.197 8.794 1.00 0.00 C ATOM 708 CD GLU A 45 1.326 8.375 9.670 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.337 9.093 9.368 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.000 8.585 10.703 1.00 0.00 O ATOM 0 H GLU A 45 2.115 4.448 6.613 1.00 0.00 H new ATOM 0 HA GLU A 45 2.113 4.472 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.247 6.325 8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.640 5.909 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.703 6.883 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.633 7.492 7.746 1.00 0.00 H new ATOM 717 N HIS A 46 -0.117 2.735 7.889 1.00 0.00 N ATOM 718 CA HIS A 46 -1.118 1.751 8.038 1.00 0.00 C ATOM 719 C HIS A 46 -0.602 0.665 9.016 1.00 0.00 C ATOM 720 O HIS A 46 0.595 0.462 9.158 1.00 0.00 O ATOM 721 CB HIS A 46 -1.566 1.188 6.630 1.00 0.00 C ATOM 722 CG HIS A 46 -2.791 0.334 6.673 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.789 -0.957 7.082 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.087 0.665 6.499 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.045 -1.366 7.191 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.881 -0.423 6.835 1.00 0.00 N ATOM 0 H HIS A 46 0.418 2.660 7.024 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.021 2.179 8.473 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.745 2.026 5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.747 0.607 6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.449 1.622 6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.340 -2.348 7.529 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.899 -0.477 6.810 1.00 0.00 H new ATOM 734 N PRO A 47 -1.491 0.104 9.810 1.00 0.00 N ATOM 735 CA PRO A 47 -1.169 -0.940 10.769 1.00 0.00 C ATOM 736 C PRO A 47 -0.861 -2.294 10.163 1.00 0.00 C ATOM 737 O PRO A 47 0.242 -2.833 10.284 1.00 0.00 O ATOM 738 CB PRO A 47 -2.448 -1.060 11.579 1.00 0.00 C ATOM 739 CG PRO A 47 -3.512 -0.418 10.797 1.00 0.00 C ATOM 740 CD PRO A 47 -2.863 0.547 9.924 1.00 0.00 C ATOM 0 HA PRO A 47 -0.267 -0.673 11.320 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.687 -2.106 11.770 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.337 -0.576 12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.064 -1.156 10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.231 0.074 11.452 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.347 0.581 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.917 1.552 10.341 1.00 0.00 H new ATOM 748 N ASP A 48 -1.819 -2.802 9.464 1.00 0.00 N ATOM 749 CA ASP A 48 -1.821 -4.156 9.012 1.00 0.00 C ATOM 750 C ASP A 48 -1.475 -4.183 7.569 1.00 0.00 C ATOM 751 O ASP A 48 -1.722 -5.149 6.896 1.00 0.00 O ATOM 752 CB ASP A 48 -3.220 -4.778 9.206 1.00 0.00 C ATOM 753 CG ASP A 48 -3.680 -4.814 10.650 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.257 -5.720 11.406 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.473 -3.935 11.056 1.00 0.00 O ATOM 0 H ASP A 48 -2.645 -2.274 9.183 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.092 -4.728 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.943 -4.213 8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.213 -5.794 8.811 1.00 0.00 H new ATOM 760 N GLY A 49 -0.877 -3.106 7.110 1.00 0.00 N ATOM 761 CA GLY A 49 -0.553 -2.952 5.670 1.00 0.00 C ATOM 762 C GLY A 49 0.347 -3.985 5.164 1.00 0.00 C ATOM 763 O GLY A 49 0.183 -4.481 4.051 1.00 0.00 O ATOM 0 H GLY A 49 -0.598 -2.316 7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.478 -2.972 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.098 -1.974 5.510 1.00 0.00 H new ATOM 767 N SER A 50 1.269 -4.321 5.962 1.00 0.00 N ATOM 768 CA SER A 50 2.168 -5.384 5.650 1.00 0.00 C ATOM 769 C SER A 50 1.397 -6.702 5.516 1.00 0.00 C ATOM 770 O SER A 50 1.459 -7.385 4.479 1.00 0.00 O ATOM 771 CB SER A 50 3.226 -5.434 6.724 1.00 0.00 C ATOM 772 OG SER A 50 2.635 -5.242 8.010 1.00 0.00 O ATOM 0 H SER A 50 1.438 -3.873 6.863 1.00 0.00 H new ATOM 0 HA SER A 50 2.659 -5.216 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.741 -6.394 6.692 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.976 -4.664 6.542 1.00 0.00 H new ATOM 0 HG SER A 50 3.331 -5.278 8.699 1.00 0.00 H new ATOM 778 N ASP A 51 0.609 -6.996 6.526 1.00 0.00 N ATOM 779 CA ASP A 51 -0.229 -8.182 6.565 1.00 0.00 C ATOM 780 C ASP A 51 -1.239 -8.200 5.433 1.00 0.00 C ATOM 781 O ASP A 51 -1.642 -9.246 5.019 1.00 0.00 O ATOM 782 CB ASP A 51 -0.944 -8.320 7.912 1.00 0.00 C ATOM 783 CG ASP A 51 0.004 -8.604 9.047 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.774 -7.707 9.433 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.006 -9.733 9.593 1.00 0.00 O ATOM 0 H ASP A 51 0.528 -6.411 7.358 1.00 0.00 H new ATOM 0 HA ASP A 51 0.436 -9.036 6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.492 -7.402 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.679 -9.123 7.848 1.00 0.00 H new ATOM 790 N LEU A 52 -1.632 -7.017 4.935 1.00 0.00 N ATOM 791 CA LEU A 52 -2.578 -6.886 3.794 1.00 0.00 C ATOM 792 C LEU A 52 -2.089 -7.655 2.596 1.00 0.00 C ATOM 793 O LEU A 52 -2.865 -8.274 1.879 1.00 0.00 O ATOM 794 CB LEU A 52 -2.769 -5.404 3.367 1.00 0.00 C ATOM 795 CG LEU A 52 -3.397 -4.468 4.390 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.520 -3.064 3.817 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.757 -4.988 4.834 1.00 0.00 C ATOM 0 H LEU A 52 -1.310 -6.122 5.304 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.530 -7.289 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.794 -5.002 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.385 -5.387 2.468 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.748 -4.429 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.971 -2.406 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.530 -2.690 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.147 -3.088 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.187 -4.303 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.419 -5.060 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.640 -5.974 5.285 1.00 0.00 H new ATOM 809 N ILE A 53 -0.800 -7.640 2.408 1.00 0.00 N ATOM 810 CA ILE A 53 -0.207 -8.264 1.252 1.00 0.00 C ATOM 811 C ILE A 53 -0.072 -9.748 1.502 1.00 0.00 C ATOM 812 O ILE A 53 -0.373 -10.584 0.643 1.00 0.00 O ATOM 813 CB ILE A 53 1.193 -7.655 0.988 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.082 -6.125 0.918 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.801 -8.221 -0.305 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.404 -5.416 0.816 1.00 0.00 C ATOM 0 H ILE A 53 -0.133 -7.200 3.043 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.841 -8.094 0.382 1.00 0.00 H new ATOM 0 HB ILE A 53 1.858 -7.924 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.470 -5.855 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.559 -5.769 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.784 -7.779 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.900 -9.303 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.151 -7.983 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.237 -4.340 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.012 -5.653 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.922 -5.741 -0.086 1.00 0.00 H new ATOM 828 N TYR A 54 0.291 -10.055 2.713 1.00 0.00 N ATOM 829 CA TYR A 54 0.635 -11.388 3.101 1.00 0.00 C ATOM 830 C TYR A 54 -0.567 -12.284 3.417 1.00 0.00 C ATOM 831 O TYR A 54 -0.614 -13.431 2.972 1.00 0.00 O ATOM 832 CB TYR A 54 1.587 -11.342 4.286 1.00 0.00 C ATOM 833 CG TYR A 54 2.886 -10.618 4.016 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.634 -10.893 2.882 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.369 -9.669 4.902 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.818 -10.244 2.642 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.556 -9.009 4.664 1.00 0.00 C ATOM 838 CZ TYR A 54 5.276 -9.304 3.532 1.00 0.00 C ATOM 839 OH TYR A 54 6.475 -8.662 3.292 1.00 0.00 O ATOM 0 H TYR A 54 0.357 -9.374 3.469 1.00 0.00 H new ATOM 0 HA TYR A 54 1.118 -11.845 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.083 -10.859 5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.812 -12.363 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.279 -11.630 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.806 -9.442 5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.389 -10.472 1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.916 -8.267 5.361 1.00 0.00 H new ATOM 0 HH TYR A 54 6.695 -8.725 2.339 1.00 0.00 H new ATOM 849 N TYR A 55 -1.518 -11.774 4.166 1.00 0.00 N ATOM 850 CA TYR A 55 -2.632 -12.567 4.631 1.00 0.00 C ATOM 851 C TYR A 55 -3.933 -11.819 4.368 1.00 0.00 C ATOM 852 O TYR A 55 -4.107 -10.691 4.842 1.00 0.00 O ATOM 853 CB TYR A 55 -2.505 -12.836 6.150 1.00 0.00 C ATOM 854 CG TYR A 55 -1.157 -13.386 6.575 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.828 -14.722 6.382 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.204 -12.553 7.148 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.415 -15.209 6.752 1.00 0.00 C ATOM 858 CE2 TYR A 55 1.037 -13.029 7.512 1.00 0.00 C ATOM 859 CZ TYR A 55 1.344 -14.354 7.313 1.00 0.00 C ATOM 860 OH TYR A 55 2.594 -14.829 7.667 1.00 0.00 O ATOM 0 H TYR A 55 -1.541 -10.800 4.469 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.631 -13.517 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.692 -11.907 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.282 -13.539 6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.551 -15.390 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.440 -11.512 7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.656 -16.251 6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.765 -12.364 7.952 1.00 0.00 H new ATOM 0 HH TYR A 55 3.126 -14.099 8.046 1.00 0.00 H new ATOM 870 N PRO A 56 -4.851 -12.416 3.611 1.00 0.00 N ATOM 871 CA PRO A 56 -6.153 -11.809 3.319 1.00 0.00 C ATOM 872 C PRO A 56 -6.994 -11.684 4.589 1.00 0.00 C ATOM 873 O PRO A 56 -6.883 -12.529 5.508 1.00 0.00 O ATOM 874 CB PRO A 56 -6.798 -12.798 2.344 1.00 0.00 C ATOM 875 CG PRO A 56 -6.111 -14.090 2.606 1.00 0.00 C ATOM 876 CD PRO A 56 -4.707 -13.737 2.982 1.00 0.00 C ATOM 0 HA PRO A 56 -6.067 -10.801 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.872 -12.879 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.662 -12.480 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.604 -14.639 3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.130 -14.729 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.279 -14.466 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.054 -13.699 2.110 1.00 0.00 H new ATOM 884 N ARG A 57 -7.819 -10.653 4.674 1.00 0.00 N ATOM 885 CA ARG A 57 -8.603 -10.467 5.871 1.00 0.00 C ATOM 886 C ARG A 57 -9.841 -11.363 5.889 1.00 0.00 C ATOM 887 O ARG A 57 -9.723 -12.587 5.877 1.00 0.00 O ATOM 888 CB ARG A 57 -8.964 -8.988 6.104 1.00 0.00 C ATOM 889 CG ARG A 57 -7.754 -8.067 6.229 1.00 0.00 C ATOM 890 CD ARG A 57 -8.162 -6.669 6.651 1.00 0.00 C ATOM 891 NE ARG A 57 -8.828 -6.665 7.966 1.00 0.00 N ATOM 892 CZ ARG A 57 -9.399 -5.592 8.549 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.336 -4.395 7.975 1.00 0.00 N ATOM 894 NH2 ARG A 57 -10.007 -5.720 9.728 1.00 0.00 N ATOM 0 H ARG A 57 -7.958 -9.952 3.946 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.975 -10.774 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.587 -8.642 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.563 -8.909 7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.055 -8.479 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.230 -8.022 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.280 -6.029 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.832 -6.245 5.903 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.859 -7.547 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.852 -4.281 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.772 -3.590 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.040 -6.629 10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.439 -4.909 10.170 1.00 0.00 H new ATOM 908 N ASP A 58 -11.002 -10.787 5.886 1.00 0.00 N ATOM 909 CA ASP A 58 -12.206 -11.595 5.908 1.00 0.00 C ATOM 910 C ASP A 58 -13.089 -11.326 4.719 1.00 0.00 C ATOM 911 O ASP A 58 -13.228 -12.149 3.820 1.00 0.00 O ATOM 912 CB ASP A 58 -12.966 -11.410 7.216 1.00 0.00 C ATOM 913 CG ASP A 58 -14.253 -12.196 7.255 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.211 -13.423 7.378 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.332 -11.578 7.206 1.00 0.00 O ATOM 0 H ASP A 58 -11.154 -9.778 5.869 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.896 -12.638 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.331 -11.717 8.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.186 -10.352 7.357 1.00 0.00 H new ATOM 920 N ASP A 59 -13.629 -10.138 4.697 1.00 0.00 N ATOM 921 CA ASP A 59 -14.585 -9.720 3.675 1.00 0.00 C ATOM 922 C ASP A 59 -13.900 -8.851 2.647 1.00 0.00 C ATOM 923 O ASP A 59 -14.536 -8.289 1.756 1.00 0.00 O ATOM 924 CB ASP A 59 -15.746 -8.943 4.316 1.00 0.00 C ATOM 925 CG ASP A 59 -15.309 -7.635 4.954 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.684 -7.666 6.049 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.563 -6.556 4.378 1.00 0.00 O ATOM 0 H ASP A 59 -13.424 -9.417 5.389 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.980 -10.610 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.499 -8.736 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.220 -9.569 5.072 1.00 0.00 H new ATOM 932 N ARG A 60 -12.609 -8.733 2.782 1.00 0.00 N ATOM 933 CA ARG A 60 -11.823 -7.956 1.868 1.00 0.00 C ATOM 934 C ARG A 60 -11.408 -8.731 0.686 1.00 0.00 C ATOM 935 O ARG A 60 -11.266 -9.956 0.732 1.00 0.00 O ATOM 936 CB ARG A 60 -10.596 -7.378 2.515 1.00 0.00 C ATOM 937 CG ARG A 60 -10.746 -5.949 2.913 1.00 0.00 C ATOM 938 CD ARG A 60 -10.854 -5.026 1.692 1.00 0.00 C ATOM 939 NE ARG A 60 -11.118 -3.645 2.120 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.895 -2.756 1.495 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.490 -3.063 0.350 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.079 -1.553 2.019 1.00 0.00 N ATOM 0 H ARG A 60 -12.072 -9.173 3.529 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.477 -7.143 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.349 -7.968 3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.756 -7.468 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.635 -5.836 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.892 -5.649 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.930 -5.065 1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.654 -5.370 1.037 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.663 -3.335 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.357 -3.986 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.081 -2.376 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.627 -1.306 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.672 -0.874 1.542 1.00 0.00 H new ATOM 956 N GLU A 61 -11.210 -8.014 -0.348 1.00 0.00 N ATOM 957 CA GLU A 61 -10.742 -8.529 -1.569 1.00 0.00 C ATOM 958 C GLU A 61 -9.241 -8.667 -1.511 1.00 0.00 C ATOM 959 O GLU A 61 -8.513 -7.675 -1.293 1.00 0.00 O ATOM 960 CB GLU A 61 -11.155 -7.593 -2.695 1.00 0.00 C ATOM 961 CG GLU A 61 -10.636 -7.989 -4.040 1.00 0.00 C ATOM 962 CD GLU A 61 -11.198 -7.159 -5.152 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.338 -7.417 -5.579 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.502 -6.246 -5.640 1.00 0.00 O ATOM 0 H GLU A 61 -11.377 -7.008 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.174 -9.513 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.243 -7.549 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.804 -6.587 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.549 -7.903 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.874 -9.037 -4.221 1.00 0.00 H new ATOM 971 N ASP A 62 -8.776 -9.876 -1.656 1.00 0.00 N ATOM 972 CA ASP A 62 -7.364 -10.120 -1.720 1.00 0.00 C ATOM 973 C ASP A 62 -6.907 -9.877 -3.123 1.00 0.00 C ATOM 974 O ASP A 62 -6.904 -10.771 -3.963 1.00 0.00 O ATOM 975 CB ASP A 62 -7.001 -11.536 -1.256 1.00 0.00 C ATOM 976 CG ASP A 62 -5.496 -11.865 -1.372 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.658 -11.213 -0.700 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.132 -12.787 -2.165 1.00 0.00 O ATOM 0 H ASP A 62 -9.358 -10.711 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.854 -9.439 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.311 -11.659 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.567 -12.257 -1.845 1.00 0.00 H new ATOM 983 N SER A 63 -6.687 -8.652 -3.418 1.00 0.00 N ATOM 984 CA SER A 63 -6.178 -8.290 -4.685 1.00 0.00 C ATOM 985 C SER A 63 -5.308 -7.094 -4.445 1.00 0.00 C ATOM 986 O SER A 63 -5.458 -6.449 -3.397 1.00 0.00 O ATOM 987 CB SER A 63 -7.347 -7.919 -5.622 1.00 0.00 C ATOM 988 OG SER A 63 -7.942 -6.693 -5.220 1.00 0.00 O ATOM 0 H SER A 63 -6.855 -7.869 -2.786 1.00 0.00 H new ATOM 0 HA SER A 63 -5.621 -9.102 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.986 -7.835 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.094 -8.713 -5.611 1.00 0.00 H new ATOM 0 HG SER A 63 -8.814 -6.594 -5.656 1.00 0.00 H new ATOM 994 N PRO A 64 -4.371 -6.777 -5.345 1.00 0.00 N ATOM 995 CA PRO A 64 -3.589 -5.554 -5.246 1.00 0.00 C ATOM 996 C PRO A 64 -4.506 -4.322 -5.100 1.00 0.00 C ATOM 997 O PRO A 64 -4.175 -3.375 -4.399 1.00 0.00 O ATOM 998 CB PRO A 64 -2.814 -5.535 -6.576 1.00 0.00 C ATOM 999 CG PRO A 64 -2.653 -6.967 -6.909 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.941 -7.611 -6.485 1.00 0.00 C ATOM 0 HA PRO A 64 -2.935 -5.523 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.364 -5.003 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.850 -5.038 -6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.474 -7.107 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.803 -7.401 -6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.678 -7.607 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.795 -8.651 -6.192 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.685 -4.388 -5.713 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.659 -3.316 -5.630 1.00 0.00 C ATOM 1010 C GLU A 65 -7.286 -3.268 -4.239 1.00 0.00 C ATOM 1011 O GLU A 65 -7.395 -2.207 -3.641 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.752 -3.483 -6.678 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.252 -3.531 -8.104 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.375 -3.578 -9.096 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.831 -4.676 -9.444 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.816 -2.509 -9.551 1.00 0.00 O ATOM 0 H GLU A 65 -5.986 -5.183 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.135 -2.379 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.302 -4.401 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.459 -2.659 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.633 -2.656 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.617 -4.407 -8.235 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.668 -4.424 -3.726 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.290 -4.518 -2.419 1.00 0.00 C ATOM 1025 C GLY A 66 -7.342 -4.158 -1.299 1.00 0.00 C ATOM 1026 O GLY A 66 -7.759 -3.660 -0.249 1.00 0.00 O ATOM 0 H GLY A 66 -7.556 -5.319 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.156 -3.857 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.657 -5.533 -2.267 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.074 -4.425 -1.507 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.036 -4.042 -0.561 1.00 0.00 C ATOM 1032 C ILE A 67 -4.929 -2.518 -0.514 1.00 0.00 C ATOM 1033 O ILE A 67 -4.832 -1.913 0.564 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.683 -4.704 -0.935 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.801 -6.225 -0.745 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.523 -4.130 -0.113 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.617 -7.017 -1.237 1.00 0.00 C ATOM 0 H ILE A 67 -5.727 -4.913 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.301 -4.398 0.435 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.460 -4.485 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.945 -6.434 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.694 -6.574 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.594 -4.619 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.442 -3.059 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.707 -4.304 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.791 -8.079 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.482 -6.844 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.721 -6.702 -0.702 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.001 -1.904 -1.683 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.024 -0.462 -1.786 1.00 0.00 C ATOM 1051 C VAL A 68 -6.275 0.075 -1.140 1.00 0.00 C ATOM 1052 O VAL A 68 -6.214 0.994 -0.342 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.952 0.019 -3.256 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.184 1.531 -3.367 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.607 -0.317 -3.805 1.00 0.00 C ATOM 0 H VAL A 68 -5.045 -2.390 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.142 -0.083 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.737 -0.482 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.126 1.832 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.170 1.778 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.421 2.059 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.543 0.017 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.838 0.182 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.455 -1.395 -3.761 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.395 -0.544 -1.464 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.692 -0.137 -0.977 1.00 0.00 C ATOM 1067 C LYS A 69 -8.744 -0.140 0.549 1.00 0.00 C ATOM 1068 O LYS A 69 -9.329 0.754 1.136 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.776 -1.007 -1.578 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.160 -0.411 -1.417 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.969 -0.520 -2.695 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.348 0.340 -3.806 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.126 0.291 -5.063 1.00 0.00 N ATOM 0 H LYS A 69 -7.426 -1.355 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.870 0.890 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.570 -1.157 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.751 -1.989 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.685 -0.922 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.074 0.637 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.013 -1.561 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.994 -0.200 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.279 1.373 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.331 -0.001 -3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.665 0.887 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.171 -0.690 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.090 0.641 -4.889 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.106 -1.125 1.171 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.956 -1.161 2.628 1.00 0.00 C ATOM 1089 C GLU A 70 -7.295 0.111 3.126 1.00 0.00 C ATOM 1090 O GLU A 70 -7.874 0.857 3.899 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.107 -2.355 3.037 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.877 -3.597 3.351 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.715 -3.433 4.595 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.189 -3.591 5.704 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.916 -3.130 4.489 1.00 0.00 O ATOM 0 H GLU A 70 -7.680 -1.916 0.688 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.948 -1.248 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.404 -2.574 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.517 -2.080 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.521 -3.849 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.186 -4.430 3.484 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.106 0.357 2.624 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.305 1.519 2.968 1.00 0.00 C ATOM 1104 C ILE A 71 -6.031 2.830 2.661 1.00 0.00 C ATOM 1105 O ILE A 71 -5.969 3.791 3.426 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.959 1.426 2.218 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.124 0.389 2.924 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.229 2.764 2.157 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.964 -0.113 2.146 1.00 0.00 C ATOM 0 H ILE A 71 -5.654 -0.259 1.948 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.126 1.523 4.043 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.141 1.143 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.760 0.812 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.762 -0.456 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.289 2.641 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.851 3.494 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.025 3.114 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.424 -0.854 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.316 -0.571 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.298 0.717 1.909 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.712 2.841 1.564 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.452 3.953 1.085 1.00 0.00 C ATOM 1123 C LYS A 72 -8.618 4.263 2.048 1.00 0.00 C ATOM 1124 O LYS A 72 -8.677 5.351 2.626 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.908 3.555 -0.341 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.669 4.549 -1.190 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.027 4.791 -0.664 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.863 5.454 -1.681 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.221 5.756 -1.176 1.00 0.00 N ATOM 0 H LYS A 72 -6.768 2.030 0.948 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.872 4.875 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.017 3.265 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.529 2.664 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.120 5.490 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.736 4.178 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.483 3.846 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.972 5.411 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.381 6.379 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.938 4.815 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.805 6.128 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.654 4.887 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.160 6.466 -0.418 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.491 3.283 2.257 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.673 3.458 3.097 1.00 0.00 C ATOM 1145 C GLU A 73 -10.284 3.763 4.530 1.00 0.00 C ATOM 1146 O GLU A 73 -10.869 4.645 5.172 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.568 2.214 3.058 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.204 1.929 1.702 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.080 3.053 1.220 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.995 3.469 1.954 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.855 3.558 0.118 1.00 0.00 O ATOM 0 H GLU A 73 -9.401 2.351 1.853 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.232 4.304 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.977 1.348 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.360 2.329 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.418 1.747 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.796 1.016 1.768 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.281 3.065 5.005 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.811 3.204 6.358 1.00 0.00 C ATOM 1160 C TRP A 74 -8.267 4.606 6.608 1.00 0.00 C ATOM 1161 O TRP A 74 -8.713 5.290 7.527 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.737 2.161 6.625 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.277 2.060 8.037 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.858 1.332 9.024 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.120 2.671 8.614 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.135 1.448 10.177 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.065 2.260 9.954 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.125 3.525 8.122 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.060 2.663 10.812 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.117 3.931 8.964 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.089 3.492 10.304 1.00 0.00 C ATOM 0 H TRP A 74 -8.764 2.378 4.456 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.647 3.048 7.040 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.116 1.187 6.314 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.875 2.383 5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.759 0.747 8.914 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.361 0.998 11.064 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.149 3.860 7.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.038 2.339 11.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.343 4.589 8.598 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.284 3.816 10.947 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.353 5.064 5.765 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.700 6.352 5.994 1.00 0.00 C ATOM 1184 C ARG A 75 -7.656 7.501 5.865 1.00 0.00 C ATOM 1185 O ARG A 75 -7.559 8.479 6.618 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.530 6.546 5.079 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.397 5.582 5.330 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.281 5.856 4.381 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.787 5.925 3.008 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.396 6.819 2.094 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.436 7.684 2.376 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.996 6.880 0.925 1.00 0.00 N ATOM 0 H ARG A 75 -7.047 4.573 4.925 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.336 6.335 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.865 6.438 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.159 7.565 5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.045 5.679 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.746 4.557 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.793 6.795 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.527 5.072 4.459 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.490 5.240 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.991 7.671 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.141 8.364 1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.764 6.243 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.693 7.564 0.232 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.598 7.364 4.954 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.617 8.368 4.733 1.00 0.00 C ATOM 1208 C ALA A 76 -10.500 8.527 5.980 1.00 0.00 C ATOM 1209 O ALA A 76 -10.956 9.618 6.295 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.453 8.007 3.505 1.00 0.00 C ATOM 0 H ALA A 76 -8.678 6.550 4.344 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.133 9.326 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.217 8.769 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.808 7.954 2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.932 7.040 3.662 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.697 7.436 6.706 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.530 7.450 7.895 1.00 0.00 C ATOM 1218 C ALA A 77 -10.730 7.923 9.095 1.00 0.00 C ATOM 1219 O ALA A 77 -11.272 8.428 10.082 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.096 6.065 8.155 1.00 0.00 C ATOM 0 H ALA A 77 -10.288 6.527 6.489 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.356 8.142 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.719 6.088 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.698 5.752 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.278 5.359 8.301 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.439 7.757 8.988 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.503 8.030 10.060 1.00 0.00 C ATOM 1228 C ASN A 78 -7.909 9.422 10.011 1.00 0.00 C ATOM 1229 O ASN A 78 -7.221 9.830 10.939 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.394 6.988 10.050 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.743 5.721 10.809 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.449 5.593 11.988 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.371 4.794 10.158 1.00 0.00 N ATOM 0 H ASN A 78 -8.992 7.420 8.135 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.070 7.975 10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.159 6.730 9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.493 7.424 10.482 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.634 3.928 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.603 4.930 9.174 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.133 10.134 8.935 1.00 0.00 N ATOM 1241 CA GLY A 79 -7.618 11.488 8.839 1.00 0.00 C ATOM 1242 C GLY A 79 -6.166 11.531 8.404 1.00 0.00 C ATOM 1243 O GLY A 79 -5.437 12.465 8.735 1.00 0.00 O ATOM 0 H GLY A 79 -8.659 9.811 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.223 12.053 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.718 11.980 9.806 1.00 0.00 H new ATOM 1247 N LYS A 80 -5.741 10.518 7.676 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.386 10.463 7.162 1.00 0.00 C ATOM 1249 C LYS A 80 -4.308 11.194 5.831 1.00 0.00 C ATOM 1250 O LYS A 80 -5.245 11.893 5.436 1.00 0.00 O ATOM 1251 CB LYS A 80 -3.917 9.009 6.974 1.00 0.00 C ATOM 1252 CG LYS A 80 -3.110 8.390 8.113 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.900 8.216 9.386 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.030 7.608 10.486 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.865 8.460 10.831 1.00 0.00 N ATOM 0 H LYS A 80 -6.319 9.716 7.425 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.732 10.945 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.797 8.388 6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.315 8.962 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.732 7.419 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.243 9.018 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.287 9.181 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.761 7.574 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.637 7.450 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.676 6.629 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.417 8.101 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.177 8.439 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.184 9.438 10.985 1.00 0.00 H new ATOM 1269 N SER A 81 -3.196 11.057 5.156 1.00 0.00 N ATOM 1270 CA SER A 81 -3.024 11.601 3.866 1.00 0.00 C ATOM 1271 C SER A 81 -3.775 10.723 2.840 1.00 0.00 C ATOM 1272 O SER A 81 -4.436 9.745 3.224 1.00 0.00 O ATOM 1273 CB SER A 81 -1.543 11.648 3.604 1.00 0.00 C ATOM 1274 OG SER A 81 -0.898 12.465 4.574 1.00 0.00 O ATOM 0 H SER A 81 -2.381 10.554 5.507 1.00 0.00 H new ATOM 0 HA SER A 81 -3.434 12.607 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.129 10.640 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.355 12.041 2.605 1.00 0.00 H new ATOM 0 HG SER A 81 0.065 12.487 4.395 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.663 11.025 1.573 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.417 10.280 0.600 1.00 0.00 C ATOM 1282 C GLY A 82 -3.564 9.885 -0.548 1.00 0.00 C ATOM 1283 O GLY A 82 -2.424 9.464 -0.347 1.00 0.00 O ATOM 0 H GLY A 82 -3.071 11.765 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.839 9.390 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.254 10.882 0.245 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.130 9.925 -1.716 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.439 9.745 -2.931 1.00 0.00 C ATOM 1289 C PHE A 83 -3.748 10.955 -3.767 1.00 0.00 C ATOM 1290 O PHE A 83 -4.668 11.721 -3.439 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.956 8.526 -3.686 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.990 7.242 -2.911 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.820 6.648 -2.500 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.196 6.621 -2.611 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.842 5.467 -1.804 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.223 5.431 -1.909 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.036 4.850 -1.505 1.00 0.00 C ATOM 0 H PHE A 83 -5.129 10.092 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.375 9.608 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.964 8.742 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.334 8.379 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.874 7.117 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.123 7.074 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.913 5.016 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.166 4.958 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.045 3.918 -0.959 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.020 11.146 -4.801 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.297 12.183 -5.726 1.00 0.00 C ATOM 1309 C LYS A 84 -4.285 11.643 -6.739 1.00 0.00 C ATOM 1310 O LYS A 84 -4.289 10.439 -7.036 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.008 12.613 -6.399 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.144 13.803 -7.328 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.793 14.302 -7.816 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.073 13.280 -8.675 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.213 13.793 -9.158 1.00 0.00 N ATOM 0 H LYS A 84 -2.204 10.581 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.723 13.054 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.275 12.853 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.612 11.771 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.759 13.526 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.663 14.610 -6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.933 15.219 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.170 14.554 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.091 12.370 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.701 13.011 -9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.678 13.069 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.054 14.648 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.820 14.027 -8.347 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.141 12.482 -7.222 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.105 12.072 -8.202 1.00 0.00 C ATOM 1331 C GLN A 85 -5.560 12.201 -9.602 1.00 0.00 C ATOM 1332 O GLN A 85 -5.379 13.307 -10.125 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.502 12.726 -8.036 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.530 14.229 -7.758 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.105 14.578 -6.340 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.303 13.790 -5.398 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.508 15.722 -6.172 1.00 0.00 N ATOM 0 H GLN A 85 -5.196 13.465 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.283 11.013 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.075 12.538 -8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.020 12.220 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.872 14.736 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.537 14.607 -7.933 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.363 16.343 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.185 15.998 -5.244 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.236 11.070 -10.161 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.713 10.986 -11.484 1.00 0.00 C ATOM 1348 C GLY A 86 -4.838 9.577 -11.962 1.00 0.00 C ATOM 1349 O GLY A 86 -5.886 9.227 -12.506 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.920 8.767 -11.732 1.00 0.00 O ATOM 0 H GLY A 86 -5.332 10.167 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.255 11.659 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.669 11.298 -11.498 1.00 0.00 H new TER 1354 GLY A 86