USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 604 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 67 LYS NZ :NH3+ 135:sc= 0.0995 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.099 K(o=0.2,f=-0.31) USER MOD Set 2.1: A 15 GLN : amide:sc= 0 K(o=-0.66,f=-1.4) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.69) USER MOD Single : A 7 SER OG : rot -23:sc= 0.262 USER MOD Single : A 11 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.803 K(o=-0.8,f=0.066) USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.982 USER MOD Single : A 40 MET CE :methyl 161:sc= -0.127 (180deg=-0.603) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -58:sc= 1.22 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00746 USER MOD Single : A 49 THR OG1 : rot -80:sc= 0.048 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0.027) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= -0.443! (180deg=-0.549!) USER MOD Single : A 65 ASN : amide:sc=-0.00953 X(o=-0.0095,f=-0.24) USER MOD Single : A 71 THR OG1 : rot 160:sc= 0.00805 USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -0.0291 (180deg=-0.157) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 2.249 -11.143 -2.025 1.00 0.00 N ATOM 2 CA SER A 7 2.031 -10.299 -0.871 1.00 0.00 C ATOM 3 C SER A 7 2.971 -9.093 -0.916 1.00 0.00 C ATOM 4 O SER A 7 4.158 -9.231 -1.238 1.00 0.00 O ATOM 5 CB SER A 7 2.236 -11.129 0.402 1.00 0.00 C ATOM 6 OG SER A 7 3.444 -11.887 0.330 1.00 0.00 O ATOM 0 HA SER A 7 1.010 -9.917 -0.874 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.268 -10.469 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.389 -11.800 0.543 1.00 0.00 H new ATOM 0 HG SER A 7 3.697 -12.011 -0.609 1.00 0.00 H new ATOM 12 N GLY A 8 2.446 -7.930 -0.628 1.00 0.00 N ATOM 13 CA GLY A 8 3.223 -6.724 -0.643 1.00 0.00 C ATOM 14 C GLY A 8 2.657 -5.738 0.331 1.00 0.00 C ATOM 15 O GLY A 8 1.961 -6.136 1.280 1.00 0.00 O ATOM 0 H GLY A 8 1.467 -7.795 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.259 -6.946 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.226 -6.296 -1.646 1.00 0.00 H new ATOM 19 N ARG A 9 2.907 -4.469 0.111 1.00 0.00 N ATOM 20 CA ARG A 9 2.389 -3.434 0.983 1.00 0.00 C ATOM 21 C ARG A 9 0.989 -3.061 0.605 1.00 0.00 C ATOM 22 O ARG A 9 0.746 -2.018 0.001 1.00 0.00 O ATOM 23 CB ARG A 9 3.266 -2.181 1.036 1.00 0.00 C ATOM 24 CG ARG A 9 4.553 -2.332 1.801 1.00 0.00 C ATOM 25 CD ARG A 9 5.335 -1.024 1.820 1.00 0.00 C ATOM 26 NE ARG A 9 6.523 -1.099 2.689 1.00 0.00 N ATOM 27 CZ ARG A 9 7.574 -0.264 2.639 1.00 0.00 C ATOM 28 NH1 ARG A 9 7.646 0.669 1.699 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 8.560 -0.387 3.519 1.00 0.00 N ATOM 0 H ARG A 9 3.468 -4.124 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 9 2.394 -3.866 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.502 -1.878 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.689 -1.372 1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.338 -2.646 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.160 -3.116 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.644 -0.773 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.685 -0.219 2.164 1.00 0.00 H new ATOM 0 HE ARG A 9 6.549 -1.845 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.900 0.756 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.447 1.300 1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.519 -1.115 4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.359 0.246 3.482 1.00 0.00 H new ATOM 43 N GLU A 10 0.094 -3.945 0.873 1.00 0.00 N ATOM 44 CA GLU A 10 -1.278 -3.693 0.651 1.00 0.00 C ATOM 45 C GLU A 10 -1.916 -3.231 1.947 1.00 0.00 C ATOM 46 O GLU A 10 -1.733 -3.844 3.014 1.00 0.00 O ATOM 47 CB GLU A 10 -1.983 -4.907 0.070 1.00 0.00 C ATOM 48 CG GLU A 10 -1.889 -6.130 0.924 1.00 0.00 C ATOM 49 CD GLU A 10 -2.690 -7.270 0.388 1.00 0.00 C ATOM 50 OE1 GLU A 10 -3.898 -7.343 0.679 1.00 0.00 O1- ATOM 51 OE2 GLU A 10 -2.126 -8.135 -0.321 1.00 0.00 O ATOM 0 H GLU A 10 0.299 -4.868 1.255 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.380 -2.900 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.034 -4.664 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.559 -5.127 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.845 -6.432 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.232 -5.892 1.931 1.00 0.00 H new ATOM 58 N ASN A 11 -2.625 -2.165 1.856 1.00 0.00 N ATOM 59 CA ASN A 11 -3.256 -1.544 2.971 1.00 0.00 C ATOM 60 C ASN A 11 -4.475 -0.858 2.453 1.00 0.00 C ATOM 61 O ASN A 11 -4.365 0.132 1.729 1.00 0.00 O ATOM 62 CB ASN A 11 -2.312 -0.524 3.635 1.00 0.00 C ATOM 63 CG ASN A 11 -2.954 0.219 4.792 1.00 0.00 C ATOM 64 OD1 ASN A 11 -2.902 -0.225 5.939 1.00 0.00 O ATOM 65 ND2 ASN A 11 -3.535 1.354 4.514 1.00 0.00 N ATOM 0 H ASN A 11 -2.790 -1.681 0.973 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.514 -2.286 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.422 -1.042 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.982 0.197 2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.964 1.903 5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.560 1.692 3.552 1.00 0.00 H new ATOM 72 N LEU A 12 -5.610 -1.428 2.754 1.00 0.00 N ATOM 73 CA LEU A 12 -6.891 -0.923 2.319 1.00 0.00 C ATOM 74 C LEU A 12 -7.085 0.538 2.699 1.00 0.00 C ATOM 75 O LEU A 12 -7.233 0.882 3.881 1.00 0.00 O ATOM 76 CB LEU A 12 -8.029 -1.751 2.912 1.00 0.00 C ATOM 77 CG LEU A 12 -9.422 -1.365 2.419 1.00 0.00 C ATOM 78 CD1 LEU A 12 -9.628 -1.768 0.961 1.00 0.00 C ATOM 79 CD2 LEU A 12 -10.514 -1.914 3.320 1.00 0.00 C ATOM 0 H LEU A 12 -5.675 -2.274 3.320 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.908 -1.002 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.855 -2.802 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.003 -1.655 3.997 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.494 -0.278 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.629 -1.479 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.889 -1.266 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.513 -2.847 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.489 -1.616 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.451 -3.002 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.387 -1.518 4.328 1.00 0.00 H new ATOM 91 N TYR A 13 -7.025 1.394 1.712 1.00 0.00 N ATOM 92 CA TYR A 13 -7.313 2.776 1.917 1.00 0.00 C ATOM 93 C TYR A 13 -8.813 2.910 1.961 1.00 0.00 C ATOM 94 O TYR A 13 -9.517 2.336 1.114 1.00 0.00 O ATOM 95 CB TYR A 13 -6.709 3.638 0.822 1.00 0.00 C ATOM 96 CG TYR A 13 -5.208 3.485 0.682 1.00 0.00 C ATOM 97 CD1 TYR A 13 -4.353 3.930 1.679 1.00 0.00 C ATOM 98 CD2 TYR A 13 -4.650 2.889 -0.443 1.00 0.00 C ATOM 99 CE1 TYR A 13 -2.987 3.787 1.560 1.00 0.00 C ATOM 100 CE2 TYR A 13 -3.284 2.744 -0.569 1.00 0.00 C ATOM 101 CZ TYR A 13 -2.455 3.195 0.435 1.00 0.00 C ATOM 102 OH TYR A 13 -1.085 3.055 0.313 1.00 0.00 O ATOM 0 H TYR A 13 -6.777 1.148 0.754 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.871 3.125 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.181 3.386 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.941 4.683 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.764 4.396 2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.297 2.534 -1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.335 4.138 2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.866 2.279 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.875 2.617 -0.538 1.00 0.00 H new ATOM 112 N PHE A 14 -9.299 3.617 2.928 1.00 0.00 N ATOM 113 CA PHE A 14 -10.709 3.659 3.194 1.00 0.00 C ATOM 114 C PHE A 14 -11.468 4.591 2.276 1.00 0.00 C ATOM 115 O PHE A 14 -11.456 5.813 2.442 1.00 0.00 O ATOM 116 CB PHE A 14 -10.971 3.994 4.658 1.00 0.00 C ATOM 117 CG PHE A 14 -10.279 3.058 5.603 1.00 0.00 C ATOM 118 CD1 PHE A 14 -10.668 1.732 5.692 1.00 0.00 C ATOM 119 CD2 PHE A 14 -9.222 3.495 6.379 1.00 0.00 C ATOM 120 CE1 PHE A 14 -10.017 0.864 6.541 1.00 0.00 C ATOM 121 CE2 PHE A 14 -8.567 2.629 7.226 1.00 0.00 C ATOM 122 CZ PHE A 14 -8.964 1.313 7.310 1.00 0.00 C ATOM 0 H PHE A 14 -8.733 4.184 3.560 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.091 2.660 2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.641 5.013 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.044 3.964 4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.490 1.375 5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.907 4.526 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.331 -0.167 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.741 2.982 7.825 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.452 0.634 7.976 1.00 0.00 H new ATOM 132 N GLN A 15 -12.088 4.010 1.289 1.00 0.00 N ATOM 133 CA GLN A 15 -12.965 4.710 0.415 1.00 0.00 C ATOM 134 C GLN A 15 -14.373 4.282 0.715 1.00 0.00 C ATOM 135 O GLN A 15 -14.914 3.353 0.091 1.00 0.00 O ATOM 136 CB GLN A 15 -12.643 4.467 -1.053 1.00 0.00 C ATOM 137 CG GLN A 15 -11.361 5.113 -1.532 1.00 0.00 C ATOM 138 CD GLN A 15 -11.099 4.848 -3.000 1.00 0.00 C ATOM 139 OE1 GLN A 15 -12.026 4.654 -3.800 1.00 0.00 O ATOM 140 NE2 GLN A 15 -9.863 4.876 -3.379 1.00 0.00 N ATOM 0 H GLN A 15 -11.992 3.018 1.071 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.840 5.779 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.579 3.392 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.470 4.838 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.413 6.188 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.525 4.738 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.124 5.038 -2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.628 4.736 -4.362 1.00 0.00 H new ATOM 149 N GLY A 16 -14.916 4.857 1.742 1.00 0.00 N ATOM 150 CA GLY A 16 -16.265 4.568 2.113 1.00 0.00 C ATOM 151 C GLY A 16 -17.222 5.201 1.149 1.00 0.00 C ATOM 152 O GLY A 16 -16.873 6.195 0.494 1.00 0.00 O ATOM 0 H GLY A 16 -14.442 5.533 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -16.420 3.489 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.458 4.936 3.121 1.00 0.00 H new ATOM 156 N HIS A 17 -18.407 4.649 1.032 1.00 0.00 N ATOM 157 CA HIS A 17 -19.396 5.197 0.125 1.00 0.00 C ATOM 158 C HIS A 17 -19.980 6.478 0.713 1.00 0.00 C ATOM 159 O HIS A 17 -20.946 6.470 1.484 1.00 0.00 O ATOM 160 CB HIS A 17 -20.478 4.167 -0.216 1.00 0.00 C ATOM 161 CG HIS A 17 -21.466 4.615 -1.262 1.00 0.00 C ATOM 162 ND1 HIS A 17 -22.818 4.749 -1.035 1.00 0.00 N ATOM 163 CD2 HIS A 17 -21.273 4.928 -2.571 1.00 0.00 C ATOM 164 CE1 HIS A 17 -23.393 5.124 -2.180 1.00 0.00 C ATOM 165 NE2 HIS A 17 -22.496 5.251 -3.152 1.00 0.00 N ATOM 0 H HIS A 17 -18.712 3.825 1.550 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.910 5.449 -0.818 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.995 3.253 -0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -21.022 3.917 0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -20.320 4.926 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -24.451 5.301 -2.301 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -22.667 5.527 -4.119 1.00 0.00 H new ATOM 173 N MET A 18 -19.306 7.543 0.423 1.00 0.00 N ATOM 174 CA MET A 18 -19.648 8.868 0.868 1.00 0.00 C ATOM 175 C MET A 18 -20.040 9.666 -0.349 1.00 0.00 C ATOM 176 O MET A 18 -20.453 9.090 -1.363 1.00 0.00 O ATOM 177 CB MET A 18 -18.415 9.515 1.519 1.00 0.00 C ATOM 178 CG MET A 18 -17.841 8.766 2.704 1.00 0.00 C ATOM 179 SD MET A 18 -16.377 9.583 3.373 1.00 0.00 S ATOM 180 CE MET A 18 -15.901 8.421 4.645 1.00 0.00 C ATOM 0 H MET A 18 -18.466 7.520 -0.154 1.00 0.00 H new ATOM 0 HA MET A 18 -20.462 8.837 1.592 1.00 0.00 H new ATOM 0 HB2 MET A 18 -17.637 9.617 0.763 1.00 0.00 H new ATOM 0 HB3 MET A 18 -18.681 10.522 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 18 -18.599 8.684 3.483 1.00 0.00 H new ATOM 0 HG3 MET A 18 -17.584 7.751 2.402 1.00 0.00 H new ATOM 0 HE1 MET A 18 -15.008 8.784 5.153 1.00 0.00 H new ATOM 0 HE2 MET A 18 -16.712 8.318 5.366 1.00 0.00 H new ATOM 0 HE3 MET A 18 -15.692 7.452 4.193 1.00 0.00 H new ATOM 190 N ALA A 19 -19.918 10.976 -0.272 1.00 0.00 N ATOM 191 CA ALA A 19 -20.188 11.809 -1.424 1.00 0.00 C ATOM 192 C ALA A 19 -18.980 11.866 -2.325 1.00 0.00 C ATOM 193 O ALA A 19 -19.054 12.303 -3.472 1.00 0.00 O ATOM 194 CB ALA A 19 -20.679 13.185 -1.039 1.00 0.00 C ATOM 0 H ALA A 19 -19.636 11.482 0.568 1.00 0.00 H new ATOM 0 HA ALA A 19 -21.004 11.350 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.867 13.770 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -21.602 13.095 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.923 13.685 -0.433 1.00 0.00 H new ATOM 200 N ALA A 20 -17.916 11.360 -1.771 1.00 0.00 N ATOM 201 CA ALA A 20 -16.575 11.242 -2.357 1.00 0.00 C ATOM 202 C ALA A 20 -15.842 12.593 -2.419 1.00 0.00 C ATOM 203 O ALA A 20 -16.464 13.638 -2.627 1.00 0.00 O ATOM 204 CB ALA A 20 -16.602 10.535 -3.722 1.00 0.00 C ATOM 0 H ALA A 20 -17.946 10.984 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 20 -15.997 10.608 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.589 10.470 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -17.011 9.531 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.226 11.102 -4.413 1.00 0.00 H new ATOM 210 N PRO A 21 -14.492 12.591 -2.213 1.00 0.00 N ATOM 211 CA PRO A 21 -13.655 13.822 -2.252 1.00 0.00 C ATOM 212 C PRO A 21 -13.691 14.522 -3.621 1.00 0.00 C ATOM 213 O PRO A 21 -13.302 15.683 -3.752 1.00 0.00 O ATOM 214 CB PRO A 21 -12.236 13.310 -1.946 1.00 0.00 C ATOM 215 CG PRO A 21 -12.286 11.839 -2.198 1.00 0.00 C ATOM 216 CD PRO A 21 -13.678 11.405 -1.870 1.00 0.00 C ATOM 0 HA PRO A 21 -14.013 14.571 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.497 13.794 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.955 13.523 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.043 11.614 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.559 11.313 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.975 10.532 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.779 11.138 -0.818 1.00 0.00 H new ATOM 224 N ALA A 22 -14.139 13.797 -4.615 1.00 0.00 N ATOM 225 CA ALA A 22 -14.337 14.296 -5.946 1.00 0.00 C ATOM 226 C ALA A 22 -15.667 13.767 -6.391 1.00 0.00 C ATOM 227 O ALA A 22 -15.919 12.572 -6.244 1.00 0.00 O ATOM 228 CB ALA A 22 -13.232 13.815 -6.878 1.00 0.00 C ATOM 0 H ALA A 22 -14.383 12.812 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.311 15.386 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.405 14.207 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.268 14.168 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.231 12.725 -6.910 1.00 0.00 H new ATOM 234 N ARG A 23 -16.528 14.619 -6.873 1.00 0.00 N ATOM 235 CA ARG A 23 -17.861 14.179 -7.265 1.00 0.00 C ATOM 236 C ARG A 23 -18.037 14.332 -8.745 1.00 0.00 C ATOM 237 O ARG A 23 -18.847 13.633 -9.374 1.00 0.00 O ATOM 238 CB ARG A 23 -18.951 14.972 -6.551 1.00 0.00 C ATOM 239 CG ARG A 23 -18.837 14.973 -5.045 1.00 0.00 C ATOM 240 CD ARG A 23 -20.031 15.644 -4.402 1.00 0.00 C ATOM 241 NE ARG A 23 -21.264 14.874 -4.574 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.472 15.248 -4.134 1.00 0.00 C ATOM 243 NH1 ARG A 23 -22.653 16.461 -3.607 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -23.500 14.417 -4.247 1.00 0.00 N ATOM 0 H ARG A 23 -16.345 15.613 -7.007 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.955 13.131 -6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.925 16.002 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.922 14.563 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.756 13.948 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.924 15.489 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.837 15.782 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.162 16.636 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.198 13.984 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.868 17.109 -3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.576 16.740 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.368 13.497 -4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.422 14.698 -3.913 1.00 0.00 H new ATOM 258 N PHE A 24 -17.304 15.244 -9.305 1.00 0.00 N ATOM 259 CA PHE A 24 -17.367 15.497 -10.702 1.00 0.00 C ATOM 260 C PHE A 24 -15.966 15.429 -11.230 1.00 0.00 C ATOM 261 O PHE A 24 -15.025 15.590 -10.489 1.00 0.00 O ATOM 262 CB PHE A 24 -17.911 16.915 -10.993 1.00 0.00 C ATOM 263 CG PHE A 24 -19.202 17.289 -10.303 1.00 0.00 C ATOM 264 CD1 PHE A 24 -19.202 17.716 -8.978 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.402 17.237 -10.979 1.00 0.00 C ATOM 266 CE1 PHE A 24 -20.370 18.076 -8.349 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.578 17.597 -10.351 1.00 0.00 C ATOM 268 CZ PHE A 24 -21.560 18.015 -9.034 1.00 0.00 C ATOM 0 H PHE A 24 -16.644 15.834 -8.799 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.028 14.766 -11.168 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.148 17.640 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.057 17.012 -12.069 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -18.269 17.765 -8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.423 16.912 -12.009 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -20.353 18.405 -7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.513 17.552 -10.890 1.00 0.00 H new ATOM 0 HZ PHE A 24 -22.481 18.294 -8.543 1.00 0.00 H new ATOM 278 N CYS A 25 -15.826 15.137 -12.456 1.00 0.00 N ATOM 279 CA CYS A 25 -14.564 15.254 -13.092 1.00 0.00 C ATOM 280 C CYS A 25 -14.723 16.244 -14.232 1.00 0.00 C ATOM 281 O CYS A 25 -15.729 16.217 -14.958 1.00 0.00 O ATOM 282 CB CYS A 25 -14.091 13.910 -13.619 1.00 0.00 C ATOM 283 SG CYS A 25 -13.876 12.612 -12.358 1.00 0.00 S ATOM 0 H CYS A 25 -16.580 14.808 -13.059 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.815 15.600 -12.380 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.806 13.557 -14.362 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.141 14.054 -14.134 1.00 0.00 H new ATOM 288 N VAL A 26 -13.783 17.126 -14.351 1.00 0.00 N ATOM 289 CA VAL A 26 -13.795 18.175 -15.352 1.00 0.00 C ATOM 290 C VAL A 26 -12.836 17.793 -16.473 1.00 0.00 C ATOM 291 O VAL A 26 -11.646 17.669 -16.243 1.00 0.00 O ATOM 292 CB VAL A 26 -13.312 19.501 -14.710 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.529 20.663 -15.629 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.973 19.746 -13.363 1.00 0.00 C ATOM 0 H VAL A 26 -12.961 17.148 -13.747 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.804 18.301 -15.744 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.240 19.402 -14.539 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.180 21.577 -15.149 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.974 20.504 -16.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.591 20.755 -15.855 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.609 20.684 -12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.054 19.801 -13.493 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.730 18.928 -12.685 1.00 0.00 H new ATOM 304 N TYR A 27 -13.350 17.578 -17.655 1.00 0.00 N ATOM 305 CA TYR A 27 -12.512 17.195 -18.783 1.00 0.00 C ATOM 306 C TYR A 27 -12.095 18.388 -19.591 1.00 0.00 C ATOM 307 O TYR A 27 -12.891 19.324 -19.811 1.00 0.00 O ATOM 308 CB TYR A 27 -13.197 16.162 -19.684 1.00 0.00 C ATOM 309 CG TYR A 27 -13.388 14.813 -19.031 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.339 14.616 -18.041 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.602 13.736 -19.398 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.499 13.389 -17.440 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.759 12.506 -18.800 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.710 12.338 -17.822 1.00 0.00 C ATOM 315 OH TYR A 27 -13.867 11.114 -17.223 1.00 0.00 O ATOM 0 H TYR A 27 -14.343 17.659 -17.871 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.619 16.734 -18.361 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.170 16.548 -19.989 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.605 16.036 -20.591 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.966 15.441 -17.736 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.853 13.862 -20.166 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.244 13.256 -16.670 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.137 11.675 -19.099 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.231 10.477 -17.609 1.00 0.00 H new ATOM 325 N TYR A 28 -10.865 18.360 -20.016 1.00 0.00 N ATOM 326 CA TYR A 28 -10.288 19.404 -20.810 1.00 0.00 C ATOM 327 C TYR A 28 -9.601 18.829 -22.042 1.00 0.00 C ATOM 328 O TYR A 28 -9.029 17.729 -21.999 1.00 0.00 O ATOM 329 CB TYR A 28 -9.256 20.212 -20.012 1.00 0.00 C ATOM 330 CG TYR A 28 -9.787 21.072 -18.883 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.238 22.351 -19.131 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.801 20.620 -17.571 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.693 23.162 -18.120 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.254 21.432 -16.544 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.700 22.703 -16.831 1.00 0.00 C ATOM 336 OH TYR A 28 -11.158 23.520 -15.824 1.00 0.00 O ATOM 0 H TYR A 28 -10.222 17.594 -19.815 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.105 20.060 -21.111 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.528 19.516 -19.595 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.719 20.857 -20.707 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.233 22.724 -20.144 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.454 19.622 -17.348 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.044 24.159 -18.342 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.257 21.071 -15.526 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.100 23.048 -14.967 1.00 0.00 H new ATOM 346 N ASP A 29 -9.707 19.566 -23.122 1.00 0.00 N ATOM 347 CA ASP A 29 -9.024 19.294 -24.374 1.00 0.00 C ATOM 348 C ASP A 29 -7.685 19.965 -24.317 1.00 0.00 C ATOM 349 O ASP A 29 -7.605 21.199 -24.324 1.00 0.00 O ATOM 350 CB ASP A 29 -9.820 19.877 -25.557 1.00 0.00 C ATOM 351 CG ASP A 29 -9.112 19.773 -26.910 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.317 20.683 -27.278 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.371 18.827 -27.654 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.290 20.402 -23.159 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.924 18.218 -24.515 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.779 19.363 -25.622 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.034 20.926 -25.353 1.00 0.00 H new ATOM 358 N GLY A 30 -6.662 19.203 -24.174 1.00 0.00 N ATOM 359 CA GLY A 30 -5.360 19.761 -24.136 1.00 0.00 C ATOM 360 C GLY A 30 -4.643 19.390 -22.884 1.00 0.00 C ATOM 361 O GLY A 30 -5.241 19.271 -21.816 1.00 0.00 O ATOM 0 H GLY A 30 -6.702 18.188 -24.081 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.790 19.416 -24.999 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.426 20.846 -24.211 1.00 0.00 H new ATOM 365 N HIS A 31 -3.371 19.234 -23.012 1.00 0.00 N ATOM 366 CA HIS A 31 -2.525 18.806 -21.923 1.00 0.00 C ATOM 367 C HIS A 31 -1.643 19.947 -21.454 1.00 0.00 C ATOM 368 O HIS A 31 -0.871 19.811 -20.490 1.00 0.00 O ATOM 369 CB HIS A 31 -1.682 17.572 -22.335 1.00 0.00 C ATOM 370 CG HIS A 31 -0.813 17.743 -23.571 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.552 17.580 -23.581 1.00 0.00 N ATOM 372 CD2 HIS A 31 -1.157 18.018 -24.857 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.985 17.757 -24.834 1.00 0.00 C ATOM 374 NE2 HIS A 31 -0.017 18.024 -25.652 1.00 0.00 N ATOM 0 H HIS A 31 -2.870 19.400 -23.885 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.159 18.509 -21.088 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.039 17.300 -21.498 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.358 16.734 -22.503 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.162 18.203 -25.207 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.019 17.690 -25.137 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.035 18.198 -26.656 1.00 0.00 H new ATOM 382 N LEU A 32 -1.785 21.073 -22.106 1.00 0.00 N ATOM 383 CA LEU A 32 -1.006 22.225 -21.793 1.00 0.00 C ATOM 384 C LEU A 32 -1.839 23.108 -20.864 1.00 0.00 C ATOM 385 O LEU A 32 -2.933 23.545 -21.240 1.00 0.00 O ATOM 386 CB LEU A 32 -0.650 22.967 -23.082 1.00 0.00 C ATOM 387 CG LEU A 32 0.394 24.062 -22.959 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.754 23.470 -22.611 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.481 24.864 -24.234 1.00 0.00 C ATOM 0 H LEU A 32 -2.448 21.208 -22.869 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.074 21.949 -21.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.297 22.237 -23.811 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.561 23.407 -23.487 1.00 0.00 H new ATOM 0 HG LEU A 32 0.091 24.730 -22.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.489 24.271 -22.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.687 22.938 -21.662 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.060 22.777 -23.395 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.235 25.643 -24.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.756 24.207 -25.059 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.486 25.322 -24.442 1.00 0.00 H new ATOM 401 N PRO A 33 -1.340 23.383 -19.644 1.00 0.00 N ATOM 402 CA PRO A 33 -2.094 24.105 -18.608 1.00 0.00 C ATOM 403 C PRO A 33 -2.646 25.472 -19.046 1.00 0.00 C ATOM 404 O PRO A 33 -3.694 25.903 -18.565 1.00 0.00 O ATOM 405 CB PRO A 33 -1.107 24.260 -17.440 1.00 0.00 C ATOM 406 CG PRO A 33 0.232 23.857 -17.958 1.00 0.00 C ATOM 407 CD PRO A 33 0.006 23.004 -19.172 1.00 0.00 C ATOM 0 HA PRO A 33 -2.991 23.543 -18.350 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.090 25.289 -17.081 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.401 23.633 -16.598 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.826 24.735 -18.211 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.787 23.305 -17.199 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.762 23.191 -19.935 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.057 21.943 -18.927 1.00 0.00 H new ATOM 415 N ALA A 34 -1.963 26.150 -19.940 1.00 0.00 N ATOM 416 CA ALA A 34 -2.430 27.446 -20.397 1.00 0.00 C ATOM 417 C ALA A 34 -3.256 27.373 -21.683 1.00 0.00 C ATOM 418 O ALA A 34 -3.751 28.393 -22.151 1.00 0.00 O ATOM 419 CB ALA A 34 -1.276 28.417 -20.564 1.00 0.00 C ATOM 0 H ALA A 34 -1.091 25.833 -20.364 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.096 27.815 -19.617 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.657 29.379 -20.907 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.769 28.548 -19.608 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.572 28.023 -21.297 1.00 0.00 H new ATOM 425 N THR A 35 -3.420 26.198 -22.261 1.00 0.00 N ATOM 426 CA THR A 35 -4.133 26.099 -23.540 1.00 0.00 C ATOM 427 C THR A 35 -5.160 24.934 -23.528 1.00 0.00 C ATOM 428 O THR A 35 -5.640 24.483 -24.569 1.00 0.00 O ATOM 429 CB THR A 35 -3.095 25.932 -24.699 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.052 26.906 -24.512 1.00 0.00 O ATOM 431 CG2 THR A 35 -3.722 26.194 -26.071 1.00 0.00 C ATOM 0 H THR A 35 -3.082 25.313 -21.884 1.00 0.00 H new ATOM 0 HA THR A 35 -4.700 27.016 -23.701 1.00 0.00 H new ATOM 0 HB THR A 35 -2.722 24.908 -24.672 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.478 26.927 -25.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.967 26.067 -26.846 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.537 25.490 -26.239 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.110 27.212 -26.105 1.00 0.00 H new ATOM 439 N ARG A 36 -5.520 24.474 -22.353 1.00 0.00 N ATOM 440 CA ARG A 36 -6.484 23.407 -22.272 1.00 0.00 C ATOM 441 C ARG A 36 -7.909 23.989 -22.399 1.00 0.00 C ATOM 442 O ARG A 36 -8.160 25.109 -21.975 1.00 0.00 O ATOM 443 CB ARG A 36 -6.263 22.538 -21.001 1.00 0.00 C ATOM 444 CG ARG A 36 -6.867 22.995 -19.639 1.00 0.00 C ATOM 445 CD ARG A 36 -6.340 24.319 -19.077 1.00 0.00 C ATOM 446 NE ARG A 36 -6.936 25.495 -19.722 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.040 26.712 -19.186 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.584 26.945 -17.964 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.636 27.689 -19.873 1.00 0.00 N ATOM 0 H ARG A 36 -5.168 24.814 -21.458 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.347 22.719 -23.107 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.655 21.544 -21.214 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.187 22.433 -20.861 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.948 23.077 -19.754 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.683 22.213 -18.903 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.541 24.358 -18.006 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.258 24.354 -19.200 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.304 25.370 -20.665 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.151 26.192 -17.429 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.666 27.877 -17.558 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.010 27.503 -20.804 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.718 28.621 -19.467 1.00 0.00 H new ATOM 463 N VAL A 37 -8.796 23.287 -23.024 1.00 0.00 N ATOM 464 CA VAL A 37 -10.139 23.806 -23.242 1.00 0.00 C ATOM 465 C VAL A 37 -11.159 22.992 -22.467 1.00 0.00 C ATOM 466 O VAL A 37 -11.166 21.780 -22.556 1.00 0.00 O ATOM 467 CB VAL A 37 -10.499 23.782 -24.747 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.857 24.431 -25.002 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.414 24.464 -25.564 1.00 0.00 C ATOM 0 H VAL A 37 -8.632 22.352 -23.398 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.159 24.837 -22.888 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.566 22.740 -25.061 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.081 24.399 -26.068 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.628 23.890 -24.452 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.833 25.468 -24.668 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.683 24.438 -26.620 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.312 25.500 -25.241 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.467 23.944 -25.418 1.00 0.00 H new ATOM 479 N LEU A 38 -11.988 23.660 -21.696 1.00 0.00 N ATOM 480 CA LEU A 38 -13.032 23.002 -20.916 1.00 0.00 C ATOM 481 C LEU A 38 -14.012 22.290 -21.848 1.00 0.00 C ATOM 482 O LEU A 38 -14.522 22.888 -22.797 1.00 0.00 O ATOM 483 CB LEU A 38 -13.745 24.060 -20.016 1.00 0.00 C ATOM 484 CG LEU A 38 -14.908 23.617 -19.074 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.227 23.409 -19.811 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.539 22.363 -18.325 1.00 0.00 C ATOM 0 H LEU A 38 -11.964 24.674 -21.587 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.594 22.244 -20.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.981 24.525 -19.393 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.136 24.836 -20.674 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.058 24.435 -18.370 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.996 23.102 -19.102 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.527 24.341 -20.290 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.102 22.635 -20.568 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.364 22.072 -17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.337 21.561 -19.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.649 22.547 -17.723 1.00 0.00 H new ATOM 498 N LEU A 39 -14.245 21.024 -21.587 1.00 0.00 N ATOM 499 CA LEU A 39 -15.166 20.258 -22.383 1.00 0.00 C ATOM 500 C LEU A 39 -16.476 20.022 -21.648 1.00 0.00 C ATOM 501 O LEU A 39 -17.509 20.518 -22.070 1.00 0.00 O ATOM 502 CB LEU A 39 -14.540 18.936 -22.818 1.00 0.00 C ATOM 503 CG LEU A 39 -13.305 19.051 -23.712 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.745 17.682 -24.020 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.643 19.791 -25.002 1.00 0.00 C ATOM 0 H LEU A 39 -13.806 20.505 -20.826 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.391 20.839 -23.277 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.269 18.372 -21.925 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.295 18.354 -23.346 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.547 19.622 -23.177 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.867 17.783 -24.657 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.464 17.186 -23.091 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.500 17.087 -24.534 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.751 19.863 -25.625 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.419 19.247 -25.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.001 20.793 -24.764 1.00 0.00 H new ATOM 517 N MET A 40 -16.437 19.318 -20.518 1.00 0.00 N ATOM 518 CA MET A 40 -17.661 18.995 -19.793 1.00 0.00 C ATOM 519 C MET A 40 -17.365 18.411 -18.445 1.00 0.00 C ATOM 520 O MET A 40 -16.222 18.003 -18.159 1.00 0.00 O ATOM 521 CB MET A 40 -18.601 18.072 -20.599 1.00 0.00 C ATOM 522 CG MET A 40 -17.996 16.756 -20.997 1.00 0.00 C ATOM 523 SD MET A 40 -19.149 15.691 -21.892 1.00 0.00 S ATOM 524 CE MET A 40 -19.497 16.694 -23.339 1.00 0.00 C ATOM 0 H MET A 40 -15.581 18.965 -20.090 1.00 0.00 H new ATOM 0 HA MET A 40 -18.188 19.938 -19.646 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.496 17.881 -20.007 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.920 18.597 -21.499 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.120 16.938 -21.620 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.649 16.237 -20.104 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.906 16.064 -24.129 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.221 17.467 -23.080 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.576 17.161 -23.688 1.00 0.00 H new ATOM 534 N TYR A 41 -18.378 18.404 -17.627 1.00 0.00 N ATOM 535 CA TYR A 41 -18.319 17.923 -16.273 1.00 0.00 C ATOM 536 C TYR A 41 -19.045 16.595 -16.204 1.00 0.00 C ATOM 537 O TYR A 41 -20.141 16.465 -16.742 1.00 0.00 O ATOM 538 CB TYR A 41 -19.002 18.935 -15.348 1.00 0.00 C ATOM 539 CG TYR A 41 -18.425 20.334 -15.441 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.905 21.248 -16.373 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.397 20.733 -14.610 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.377 22.513 -16.471 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.859 22.002 -14.703 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.354 22.886 -15.635 1.00 0.00 C ATOM 545 OH TYR A 41 -16.824 24.150 -15.733 1.00 0.00 O ATOM 0 H TYR A 41 -19.302 18.745 -17.892 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.283 17.796 -15.960 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.065 18.973 -15.588 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.920 18.586 -14.319 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.709 20.958 -17.033 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.008 20.043 -13.876 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.764 23.209 -17.201 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.054 22.299 -14.048 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.109 24.257 -15.071 1.00 0.00 H new ATOM 555 N VAL A 42 -18.440 15.621 -15.575 1.00 0.00 N ATOM 556 CA VAL A 42 -19.019 14.288 -15.493 1.00 0.00 C ATOM 557 C VAL A 42 -19.137 13.859 -14.036 1.00 0.00 C ATOM 558 O VAL A 42 -18.239 14.111 -13.251 1.00 0.00 O ATOM 559 CB VAL A 42 -18.151 13.250 -16.271 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.780 11.859 -16.254 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.919 13.710 -17.702 1.00 0.00 C ATOM 0 H VAL A 42 -17.539 15.719 -15.106 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.009 14.323 -15.947 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.189 13.184 -15.762 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.145 11.166 -16.806 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.880 11.517 -15.224 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.765 11.899 -16.720 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.312 12.973 -18.227 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.878 13.819 -18.209 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.401 14.669 -17.696 1.00 0.00 H new ATOM 571 N ARG A 43 -20.243 13.234 -13.699 1.00 0.00 N ATOM 572 CA ARG A 43 -20.512 12.737 -12.362 1.00 0.00 C ATOM 573 C ARG A 43 -19.802 11.423 -12.116 1.00 0.00 C ATOM 574 O ARG A 43 -19.816 10.518 -12.979 1.00 0.00 O ATOM 575 CB ARG A 43 -22.033 12.514 -12.153 1.00 0.00 C ATOM 576 CG ARG A 43 -22.846 13.714 -11.656 1.00 0.00 C ATOM 577 CD ARG A 43 -22.665 14.962 -12.495 1.00 0.00 C ATOM 578 NE ARG A 43 -23.042 14.804 -13.909 1.00 0.00 N ATOM 579 CZ ARG A 43 -23.203 15.827 -14.760 1.00 0.00 C ATOM 580 NH1 ARG A 43 -23.329 17.061 -14.294 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -23.317 15.600 -16.059 1.00 0.00 N ATOM 0 H ARG A 43 -20.999 13.052 -14.359 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.146 13.488 -11.662 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.461 12.182 -13.099 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.162 11.698 -11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.902 13.446 -11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.561 13.934 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.259 15.766 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -21.621 15.272 -12.442 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.190 13.859 -14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -23.303 17.232 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -23.452 17.840 -14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.282 14.645 -16.415 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -23.439 16.380 -16.704 1.00 0.00 H new ATOM 595 N ILE A 44 -19.181 11.326 -10.975 1.00 0.00 N ATOM 596 CA ILE A 44 -18.569 10.079 -10.518 1.00 0.00 C ATOM 597 C ILE A 44 -19.626 8.986 -10.434 1.00 0.00 C ATOM 598 O ILE A 44 -20.609 9.091 -9.688 1.00 0.00 O ATOM 599 CB ILE A 44 -17.853 10.239 -9.136 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.651 11.176 -9.265 1.00 0.00 C ATOM 601 CG2 ILE A 44 -17.422 8.887 -8.547 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.546 10.663 -10.159 1.00 0.00 C ATOM 0 H ILE A 44 -19.076 12.103 -10.323 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.807 9.803 -11.246 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.573 10.676 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.995 12.136 -9.649 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.241 11.359 -8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.930 9.048 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.299 8.257 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.731 8.396 -9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.736 11.392 -10.191 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.169 9.719 -9.766 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.935 10.508 -11.165 1.00 0.00 H new ATOM 614 N GLY A 45 -19.432 7.978 -11.219 1.00 0.00 N ATOM 615 CA GLY A 45 -20.335 6.876 -11.275 1.00 0.00 C ATOM 616 C GLY A 45 -20.988 6.752 -12.630 1.00 0.00 C ATOM 617 O GLY A 45 -21.501 5.679 -12.990 1.00 0.00 O ATOM 0 H GLY A 45 -18.633 7.895 -11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.799 5.955 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.103 6.997 -10.511 1.00 0.00 H new ATOM 621 N THR A 46 -20.938 7.815 -13.409 1.00 0.00 N ATOM 622 CA THR A 46 -21.625 7.833 -14.671 1.00 0.00 C ATOM 623 C THR A 46 -20.677 7.825 -15.846 1.00 0.00 C ATOM 624 O THR A 46 -19.461 8.113 -15.716 1.00 0.00 O ATOM 625 CB THR A 46 -22.580 9.052 -14.786 1.00 0.00 C ATOM 626 OG1 THR A 46 -21.852 10.284 -14.674 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.645 9.002 -13.708 1.00 0.00 C ATOM 0 H THR A 46 -20.429 8.670 -13.185 1.00 0.00 H new ATOM 0 HA THR A 46 -22.212 6.915 -14.702 1.00 0.00 H new ATOM 0 HB THR A 46 -23.056 9.006 -15.765 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.375 10.305 -13.818 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.303 9.865 -13.807 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.228 8.087 -13.814 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.171 9.018 -12.727 1.00 0.00 H new ATOM 635 N THR A 47 -21.232 7.512 -16.969 1.00 0.00 N ATOM 636 CA THR A 47 -20.544 7.541 -18.205 1.00 0.00 C ATOM 637 C THR A 47 -20.885 8.829 -18.891 1.00 0.00 C ATOM 638 O THR A 47 -21.904 9.461 -18.577 1.00 0.00 O ATOM 639 CB THR A 47 -20.980 6.381 -19.109 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.420 6.330 -19.179 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.448 5.054 -18.621 1.00 0.00 C ATOM 0 H THR A 47 -22.206 7.221 -17.049 1.00 0.00 H new ATOM 0 HA THR A 47 -19.474 7.452 -18.019 1.00 0.00 H new ATOM 0 HB THR A 47 -20.565 6.562 -20.100 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.693 5.589 -19.759 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.781 4.260 -19.290 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.358 5.082 -18.605 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.821 4.860 -17.615 1.00 0.00 H new ATOM 649 N ALA A 48 -20.053 9.236 -19.772 1.00 0.00 N ATOM 650 CA ALA A 48 -20.292 10.437 -20.524 1.00 0.00 C ATOM 651 C ALA A 48 -19.577 10.388 -21.825 1.00 0.00 C ATOM 652 O ALA A 48 -18.417 9.968 -21.899 1.00 0.00 O ATOM 653 CB ALA A 48 -19.869 11.667 -19.752 1.00 0.00 C ATOM 0 H ALA A 48 -19.183 8.756 -20.003 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.365 10.501 -20.707 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.064 12.557 -20.350 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.434 11.725 -18.821 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.804 11.607 -19.527 1.00 0.00 H new ATOM 659 N THR A 49 -20.253 10.777 -22.842 1.00 0.00 N ATOM 660 CA THR A 49 -19.679 10.844 -24.126 1.00 0.00 C ATOM 661 C THR A 49 -19.044 12.231 -24.285 1.00 0.00 C ATOM 662 O THR A 49 -19.731 13.244 -24.277 1.00 0.00 O ATOM 663 CB THR A 49 -20.763 10.596 -25.192 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.504 9.395 -24.831 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.134 10.395 -26.565 1.00 0.00 C ATOM 0 H THR A 49 -21.232 11.060 -22.802 1.00 0.00 H new ATOM 0 HA THR A 49 -18.913 10.079 -24.254 1.00 0.00 H new ATOM 0 HB THR A 49 -21.424 11.461 -25.234 1.00 0.00 H new ATOM 0 HG1 THR A 49 -20.996 8.603 -25.104 1.00 0.00 H new ATOM 0 HG21 THR A 49 -20.918 10.221 -27.302 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.568 11.285 -26.840 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.466 9.534 -26.537 1.00 0.00 H new ATOM 673 N ILE A 50 -17.742 12.260 -24.355 1.00 0.00 N ATOM 674 CA ILE A 50 -17.002 13.490 -24.495 1.00 0.00 C ATOM 675 C ILE A 50 -16.776 13.681 -25.972 1.00 0.00 C ATOM 676 O ILE A 50 -16.645 12.714 -26.708 1.00 0.00 O ATOM 677 CB ILE A 50 -15.596 13.376 -23.829 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.664 12.724 -22.437 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.917 14.745 -23.744 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.465 13.488 -21.402 1.00 0.00 C ATOM 0 H ILE A 50 -17.157 11.425 -24.316 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.552 14.307 -24.028 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.996 12.726 -24.466 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.093 11.727 -22.541 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.648 12.596 -22.064 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.939 14.637 -23.276 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.796 15.154 -24.747 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.532 15.420 -23.148 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.451 12.945 -20.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.027 14.476 -21.259 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.495 13.594 -21.744 1.00 0.00 H new ATOM 692 N THR A 51 -16.767 14.876 -26.408 1.00 0.00 N ATOM 693 CA THR A 51 -16.546 15.151 -27.791 1.00 0.00 C ATOM 694 C THR A 51 -15.452 16.202 -27.936 1.00 0.00 C ATOM 695 O THR A 51 -15.613 17.350 -27.511 1.00 0.00 O ATOM 696 CB THR A 51 -17.852 15.601 -28.465 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.861 14.607 -28.199 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.672 15.738 -29.970 1.00 0.00 C ATOM 0 H THR A 51 -16.911 15.701 -25.826 1.00 0.00 H new ATOM 0 HA THR A 51 -16.216 14.241 -28.292 1.00 0.00 H new ATOM 0 HB THR A 51 -18.144 16.573 -28.067 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.704 14.876 -28.620 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.611 16.057 -30.421 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.899 16.478 -30.178 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.376 14.777 -30.390 1.00 0.00 H new ATOM 706 N ALA A 52 -14.336 15.779 -28.472 1.00 0.00 N ATOM 707 CA ALA A 52 -13.206 16.640 -28.680 1.00 0.00 C ATOM 708 C ALA A 52 -12.585 16.328 -30.027 1.00 0.00 C ATOM 709 O ALA A 52 -12.420 15.159 -30.383 1.00 0.00 O ATOM 710 CB ALA A 52 -12.200 16.473 -27.559 1.00 0.00 C ATOM 0 H ALA A 52 -14.187 14.818 -28.778 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.531 17.680 -28.675 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.350 17.133 -27.732 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.669 16.727 -26.608 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.857 15.439 -27.529 1.00 0.00 H new ATOM 716 N ARG A 53 -12.309 17.377 -30.790 1.00 0.00 N ATOM 717 CA ARG A 53 -11.771 17.319 -32.163 1.00 0.00 C ATOM 718 C ARG A 53 -12.706 16.530 -33.079 1.00 0.00 C ATOM 719 O ARG A 53 -12.310 15.997 -34.118 1.00 0.00 O ATOM 720 CB ARG A 53 -10.334 16.762 -32.199 1.00 0.00 C ATOM 721 CG ARG A 53 -9.396 17.509 -31.269 1.00 0.00 C ATOM 722 CD ARG A 53 -7.920 17.261 -31.567 1.00 0.00 C ATOM 723 NE ARG A 53 -7.530 15.841 -31.570 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.268 15.399 -31.402 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.296 16.252 -31.054 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -5.990 14.108 -31.569 1.00 0.00 N ATOM 0 H ARG A 53 -12.456 18.333 -30.467 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.717 18.341 -32.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.350 15.708 -31.923 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.951 16.819 -33.218 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.599 18.577 -31.342 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.606 17.214 -30.241 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.681 17.693 -32.539 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.319 17.789 -30.827 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.264 15.146 -31.708 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.510 17.240 -30.915 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.342 15.914 -30.928 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.731 13.455 -31.824 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.036 13.771 -31.442 1.00 0.00 H new ATOM 740 N GLY A 54 -13.963 16.526 -32.705 1.00 0.00 N ATOM 741 CA GLY A 54 -14.991 15.842 -33.448 1.00 0.00 C ATOM 742 C GLY A 54 -15.097 14.370 -33.084 1.00 0.00 C ATOM 743 O GLY A 54 -15.912 13.640 -33.652 1.00 0.00 O ATOM 0 H GLY A 54 -14.303 17.002 -31.869 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.950 16.327 -33.265 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.785 15.934 -34.514 1.00 0.00 H new ATOM 747 N HIS A 55 -14.294 13.927 -32.149 1.00 0.00 N ATOM 748 CA HIS A 55 -14.296 12.545 -31.745 1.00 0.00 C ATOM 749 C HIS A 55 -15.098 12.377 -30.490 1.00 0.00 C ATOM 750 O HIS A 55 -15.017 13.203 -29.578 1.00 0.00 O ATOM 751 CB HIS A 55 -12.877 12.020 -31.521 1.00 0.00 C ATOM 752 CG HIS A 55 -12.022 11.965 -32.743 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.611 10.798 -33.331 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.473 12.962 -33.469 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.843 11.101 -34.370 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.722 12.415 -34.503 1.00 0.00 N ATOM 0 H HIS A 55 -13.624 14.512 -31.649 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.748 11.967 -32.551 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.385 12.651 -30.781 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.940 11.019 -31.095 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.598 14.017 -33.277 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.379 10.375 -35.020 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.190 12.918 -35.214 1.00 0.00 H new ATOM 764 N GLU A 56 -15.878 11.338 -30.451 1.00 0.00 N ATOM 765 CA GLU A 56 -16.680 11.031 -29.306 1.00 0.00 C ATOM 766 C GLU A 56 -15.992 9.942 -28.493 1.00 0.00 C ATOM 767 O GLU A 56 -15.853 8.798 -28.949 1.00 0.00 O ATOM 768 CB GLU A 56 -18.069 10.552 -29.732 1.00 0.00 C ATOM 769 CG GLU A 56 -18.904 11.588 -30.464 1.00 0.00 C ATOM 770 CD GLU A 56 -20.264 11.050 -30.861 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.376 10.364 -31.913 1.00 0.00 O ATOM 772 OE2 GLU A 56 -21.260 11.306 -30.143 1.00 0.00 O1- ATOM 0 H GLU A 56 -15.976 10.675 -31.220 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.795 11.932 -28.703 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.955 9.678 -30.374 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.614 10.228 -28.845 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.033 12.464 -29.828 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.371 11.918 -31.356 1.00 0.00 H new ATOM 779 N PHE A 57 -15.564 10.297 -27.321 1.00 0.00 N ATOM 780 CA PHE A 57 -14.910 9.396 -26.420 1.00 0.00 C ATOM 781 C PHE A 57 -15.865 9.128 -25.292 1.00 0.00 C ATOM 782 O PHE A 57 -16.164 10.030 -24.525 1.00 0.00 O ATOM 783 CB PHE A 57 -13.650 10.048 -25.840 1.00 0.00 C ATOM 784 CG PHE A 57 -12.690 10.584 -26.860 1.00 0.00 C ATOM 785 CD1 PHE A 57 -11.766 9.755 -27.471 1.00 0.00 C ATOM 786 CD2 PHE A 57 -12.711 11.926 -27.201 1.00 0.00 C ATOM 787 CE1 PHE A 57 -10.881 10.257 -28.404 1.00 0.00 C ATOM 788 CE2 PHE A 57 -11.834 12.430 -28.129 1.00 0.00 C ATOM 789 CZ PHE A 57 -10.917 11.596 -28.734 1.00 0.00 C ATOM 0 H PHE A 57 -15.662 11.244 -26.955 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.628 8.482 -26.942 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.950 10.863 -25.182 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.130 9.315 -25.223 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.737 8.706 -27.216 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.426 12.584 -26.731 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.162 9.603 -28.875 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.862 13.479 -28.385 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.228 11.991 -29.466 1.00 0.00 H new ATOM 799 N GLU A 58 -16.380 7.945 -25.203 1.00 0.00 N ATOM 800 CA GLU A 58 -17.302 7.657 -24.146 1.00 0.00 C ATOM 801 C GLU A 58 -16.526 7.153 -22.957 1.00 0.00 C ATOM 802 O GLU A 58 -15.958 6.059 -22.972 1.00 0.00 O ATOM 803 CB GLU A 58 -18.388 6.695 -24.597 1.00 0.00 C ATOM 804 CG GLU A 58 -19.523 6.582 -23.627 1.00 0.00 C ATOM 805 CD GLU A 58 -20.674 5.803 -24.184 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.447 6.369 -24.975 1.00 0.00 O ATOM 807 OE2 GLU A 58 -20.836 4.607 -23.844 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.184 7.171 -25.837 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.829 8.566 -23.855 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.776 7.023 -25.562 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.949 5.709 -24.748 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.171 6.102 -22.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.863 7.580 -23.352 1.00 0.00 H new ATOM 814 N VAL A 59 -16.468 7.978 -21.959 1.00 0.00 N ATOM 815 CA VAL A 59 -15.683 7.732 -20.790 1.00 0.00 C ATOM 816 C VAL A 59 -16.594 7.366 -19.655 1.00 0.00 C ATOM 817 O VAL A 59 -17.804 7.622 -19.708 1.00 0.00 O ATOM 818 CB VAL A 59 -14.893 9.029 -20.360 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.069 9.592 -21.503 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.826 10.110 -19.807 1.00 0.00 C ATOM 0 H VAL A 59 -16.977 8.862 -21.934 1.00 0.00 H new ATOM 0 HA VAL A 59 -14.981 6.929 -21.016 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.214 8.723 -19.564 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.541 10.484 -21.166 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.347 8.845 -21.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.727 9.852 -22.332 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.241 10.985 -19.523 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.551 10.390 -20.571 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.351 9.725 -18.933 1.00 0.00 H new ATOM 830 N GLU A 60 -16.050 6.764 -18.670 1.00 0.00 N ATOM 831 CA GLU A 60 -16.751 6.591 -17.445 1.00 0.00 C ATOM 832 C GLU A 60 -15.937 7.201 -16.351 1.00 0.00 C ATOM 833 O GLU A 60 -14.761 6.864 -16.180 1.00 0.00 O ATOM 834 CB GLU A 60 -17.039 5.128 -17.095 1.00 0.00 C ATOM 835 CG GLU A 60 -17.941 5.004 -15.855 1.00 0.00 C ATOM 836 CD GLU A 60 -18.170 3.594 -15.396 1.00 0.00 C ATOM 837 OE1 GLU A 60 -18.750 2.804 -16.144 1.00 0.00 O ATOM 838 OE2 GLU A 60 -17.812 3.256 -14.244 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.107 6.375 -18.682 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.721 7.076 -17.558 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.518 4.639 -17.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.099 4.606 -16.915 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.496 5.572 -15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.905 5.463 -16.074 1.00 0.00 H new ATOM 845 N ALA A 61 -16.525 8.106 -15.626 1.00 0.00 N ATOM 846 CA ALA A 61 -15.862 8.631 -14.462 1.00 0.00 C ATOM 847 C ALA A 61 -16.180 7.669 -13.342 1.00 0.00 C ATOM 848 O ALA A 61 -17.110 7.864 -12.596 1.00 0.00 O ATOM 849 CB ALA A 61 -16.321 10.050 -14.139 1.00 0.00 C ATOM 0 H ALA A 61 -17.450 8.494 -15.813 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.787 8.711 -14.622 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.797 10.409 -13.254 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.100 10.705 -14.982 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.395 10.051 -13.950 1.00 0.00 H new ATOM 855 N LYS A 62 -15.453 6.570 -13.328 1.00 0.00 N ATOM 856 CA LYS A 62 -15.766 5.435 -12.469 1.00 0.00 C ATOM 857 C LYS A 62 -15.590 5.750 -11.002 1.00 0.00 C ATOM 858 O LYS A 62 -16.526 5.657 -10.204 1.00 0.00 O ATOM 859 CB LYS A 62 -14.863 4.245 -12.814 1.00 0.00 C ATOM 860 CG LYS A 62 -14.688 3.977 -14.293 1.00 0.00 C ATOM 861 CD LYS A 62 -14.056 2.608 -14.537 1.00 0.00 C ATOM 862 CE LYS A 62 -15.078 1.446 -14.538 1.00 0.00 C ATOM 863 NZ LYS A 62 -16.009 1.437 -13.379 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.627 6.434 -13.911 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.814 5.195 -12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.881 4.415 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.273 3.350 -12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.656 4.027 -14.791 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.062 4.753 -14.734 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.534 2.623 -15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.306 2.421 -13.768 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.663 1.495 -15.456 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.534 0.502 -14.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.623 0.599 -13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.462 1.409 -12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.594 2.297 -13.397 1.00 0.00 H new ATOM 877 N ASP A 63 -14.406 6.145 -10.670 1.00 0.00 N ATOM 878 CA ASP A 63 -14.029 6.369 -9.295 1.00 0.00 C ATOM 879 C ASP A 63 -13.477 7.764 -9.125 1.00 0.00 C ATOM 880 O ASP A 63 -13.056 8.393 -10.107 1.00 0.00 O ATOM 881 CB ASP A 63 -13.014 5.302 -8.820 1.00 0.00 C ATOM 882 CG ASP A 63 -13.622 3.910 -8.592 1.00 0.00 C ATOM 883 OD1 ASP A 63 -14.019 3.236 -9.572 1.00 0.00 O ATOM 884 OD2 ASP A 63 -13.673 3.455 -7.413 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.660 6.326 -11.342 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.918 6.276 -8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.217 5.221 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.555 5.642 -7.892 1.00 0.00 H new ATOM 889 N GLN A 64 -13.426 8.223 -7.874 1.00 0.00 N ATOM 890 CA GLN A 64 -13.038 9.605 -7.497 1.00 0.00 C ATOM 891 C GLN A 64 -11.614 10.027 -7.902 1.00 0.00 C ATOM 892 O GLN A 64 -11.218 11.170 -7.690 1.00 0.00 O ATOM 893 CB GLN A 64 -13.329 9.881 -5.998 1.00 0.00 C ATOM 894 CG GLN A 64 -12.888 8.774 -5.026 1.00 0.00 C ATOM 895 CD GLN A 64 -11.382 8.548 -4.928 1.00 0.00 C ATOM 896 OE1 GLN A 64 -10.944 7.443 -4.739 1.00 0.00 O ATOM 897 NE2 GLN A 64 -10.600 9.583 -4.981 1.00 0.00 N ATOM 0 H GLN A 64 -13.656 7.641 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.678 10.249 -8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.833 10.809 -5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.400 10.042 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.267 9.014 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.359 7.839 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.992 10.511 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.594 9.468 -4.861 1.00 0.00 H new ATOM 906 N ASN A 65 -10.847 9.110 -8.444 1.00 0.00 N ATOM 907 CA ASN A 65 -9.525 9.435 -8.967 1.00 0.00 C ATOM 908 C ASN A 65 -9.652 10.189 -10.287 1.00 0.00 C ATOM 909 O ASN A 65 -8.742 10.908 -10.689 1.00 0.00 O ATOM 910 CB ASN A 65 -8.680 8.153 -9.158 1.00 0.00 C ATOM 911 CG ASN A 65 -7.311 8.400 -9.796 1.00 0.00 C ATOM 912 OD1 ASN A 65 -7.152 8.321 -11.016 1.00 0.00 O ATOM 913 ND2 ASN A 65 -6.334 8.711 -8.988 1.00 0.00 N ATOM 0 H ASN A 65 -11.109 8.129 -8.538 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.017 10.074 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.537 7.676 -8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.238 7.452 -9.779 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.403 8.898 -9.361 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.501 8.767 -7.983 1.00 0.00 H new ATOM 920 N CYS A 66 -10.823 10.047 -10.920 1.00 0.00 N ATOM 921 CA CYS A 66 -11.090 10.584 -12.255 1.00 0.00 C ATOM 922 C CYS A 66 -10.290 9.823 -13.274 1.00 0.00 C ATOM 923 O CYS A 66 -9.902 10.353 -14.315 1.00 0.00 O ATOM 924 CB CYS A 66 -10.878 12.104 -12.348 1.00 0.00 C ATOM 925 SG CYS A 66 -12.124 13.067 -11.432 1.00 0.00 S ATOM 0 H CYS A 66 -11.617 9.552 -10.514 1.00 0.00 H new ATOM 0 HA CYS A 66 -12.149 10.441 -12.470 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.887 12.349 -11.965 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.898 12.402 -13.396 1.00 0.00 H new ATOM 930 N LYS A 67 -10.062 8.554 -12.936 1.00 0.00 N ATOM 931 CA LYS A 67 -9.442 7.591 -13.762 1.00 0.00 C ATOM 932 C LYS A 67 -10.272 7.452 -15.021 1.00 0.00 C ATOM 933 O LYS A 67 -11.331 6.806 -15.015 1.00 0.00 O ATOM 934 CB LYS A 67 -9.415 6.265 -12.984 1.00 0.00 C ATOM 935 CG LYS A 67 -8.532 5.156 -13.519 1.00 0.00 C ATOM 936 CD LYS A 67 -7.129 5.637 -13.659 1.00 0.00 C ATOM 937 CE LYS A 67 -6.869 6.075 -15.078 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.545 6.684 -15.250 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.329 8.179 -12.026 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.426 7.876 -14.034 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.101 6.481 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.436 5.886 -12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.565 4.299 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.906 4.818 -14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.952 6.468 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.435 4.843 -13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.957 5.215 -15.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.635 6.790 -15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.096 6.303 -16.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.646 7.715 -15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.953 6.466 -14.423 1.00 0.00 H new ATOM 952 N VAL A 68 -9.839 8.112 -16.055 1.00 0.00 N ATOM 953 CA VAL A 68 -10.562 8.138 -17.285 1.00 0.00 C ATOM 954 C VAL A 68 -10.425 6.837 -18.077 1.00 0.00 C ATOM 955 O VAL A 68 -9.464 6.606 -18.830 1.00 0.00 O ATOM 956 CB VAL A 68 -10.255 9.410 -18.134 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.766 9.570 -18.429 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.077 9.419 -19.409 1.00 0.00 C ATOM 0 H VAL A 68 -8.971 8.648 -16.065 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.617 8.209 -17.019 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.545 10.273 -17.535 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.607 10.470 -19.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.216 9.652 -17.491 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.410 8.702 -18.984 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.846 10.315 -19.985 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.839 8.536 -20.002 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.138 9.412 -19.158 1.00 0.00 H new ATOM 968 N ILE A 69 -11.355 5.972 -17.833 1.00 0.00 N ATOM 969 CA ILE A 69 -11.451 4.721 -18.508 1.00 0.00 C ATOM 970 C ILE A 69 -12.686 4.779 -19.347 1.00 0.00 C ATOM 971 O ILE A 69 -13.745 5.212 -18.881 1.00 0.00 O ATOM 972 CB ILE A 69 -11.531 3.541 -17.500 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.267 3.527 -16.644 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.698 2.199 -18.228 1.00 0.00 C ATOM 975 CD1 ILE A 69 -10.309 2.571 -15.469 1.00 0.00 C ATOM 0 H ILE A 69 -12.088 6.121 -17.140 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.566 4.549 -19.120 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.404 3.681 -16.863 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.419 3.266 -17.277 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.087 4.535 -16.269 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.751 1.392 -17.497 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.615 2.216 -18.817 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.846 2.035 -18.888 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.370 2.629 -14.919 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.133 2.842 -14.809 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.454 1.554 -15.833 1.00 0.00 H new ATOM 987 N LEU A 70 -12.555 4.418 -20.576 1.00 0.00 N ATOM 988 CA LEU A 70 -13.650 4.463 -21.477 1.00 0.00 C ATOM 989 C LEU A 70 -14.472 3.232 -21.330 1.00 0.00 C ATOM 990 O LEU A 70 -14.045 2.228 -20.751 1.00 0.00 O ATOM 991 CB LEU A 70 -13.211 4.548 -22.934 1.00 0.00 C ATOM 992 CG LEU A 70 -12.128 5.538 -23.295 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.841 5.512 -24.789 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.455 6.931 -22.840 1.00 0.00 C ATOM 0 H LEU A 70 -11.683 4.083 -20.984 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.217 5.361 -21.229 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.872 3.558 -23.238 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.090 4.782 -23.534 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.228 5.230 -22.764 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.058 6.234 -25.022 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.513 4.514 -25.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.747 5.770 -25.338 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.647 7.605 -23.123 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.382 7.259 -23.310 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.574 6.941 -21.757 1.00 0.00 H new ATOM 1006 N THR A 71 -15.569 3.276 -21.966 1.00 0.00 N ATOM 1007 CA THR A 71 -16.550 2.209 -21.961 1.00 0.00 C ATOM 1008 C THR A 71 -16.040 1.027 -22.773 1.00 0.00 C ATOM 1009 O THR A 71 -16.471 -0.110 -22.606 1.00 0.00 O ATOM 1010 CB THR A 71 -17.840 2.732 -22.572 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.503 3.440 -23.776 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.549 3.669 -21.610 1.00 0.00 C ATOM 0 H THR A 71 -15.845 4.076 -22.535 1.00 0.00 H new ATOM 0 HA THR A 71 -16.728 1.878 -20.938 1.00 0.00 H new ATOM 0 HB THR A 71 -18.510 1.899 -22.787 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.296 3.508 -24.348 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.470 4.032 -22.067 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.787 3.135 -20.690 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.900 4.514 -21.381 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.091 1.328 -23.634 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.447 0.355 -24.493 1.00 0.00 C ATOM 1022 C ASN A 72 -13.320 -0.358 -23.760 1.00 0.00 C ATOM 1023 O ASN A 72 -12.691 -1.250 -24.306 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.896 1.044 -25.757 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.986 1.627 -26.643 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -16.092 1.095 -26.731 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -14.691 2.722 -27.299 1.00 0.00 N ATOM 0 H ASN A 72 -14.738 2.277 -23.759 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.192 -0.386 -24.783 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.213 1.840 -25.461 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.315 0.323 -26.333 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.387 3.158 -27.904 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.765 3.139 -27.205 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.036 0.069 -22.532 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.007 -0.570 -21.742 1.00 0.00 C ATOM 1036 C GLY A 73 -10.669 0.013 -22.062 1.00 0.00 C ATOM 1037 O GLY A 73 -9.624 -0.585 -21.796 1.00 0.00 O ATOM 0 H GLY A 73 -13.504 0.850 -22.072 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.222 -0.443 -20.681 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.001 -1.642 -21.940 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.699 1.173 -22.655 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.517 1.850 -23.061 1.00 0.00 C ATOM 1043 C LYS A 74 -9.365 3.083 -22.234 1.00 0.00 C ATOM 1044 O LYS A 74 -10.294 3.488 -21.567 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.614 2.222 -24.540 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.877 1.051 -25.486 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.770 0.007 -25.428 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.067 -1.171 -26.345 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.172 -0.772 -27.770 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.561 1.675 -22.869 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.651 1.203 -22.921 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.412 2.955 -24.663 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.685 2.709 -24.838 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.828 0.585 -25.229 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.970 1.424 -26.506 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.823 0.463 -25.715 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.656 -0.347 -24.404 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.280 -1.918 -26.238 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.999 -1.643 -26.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.205 -1.623 -28.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.039 -0.215 -27.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.345 -0.198 -28.031 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.220 3.645 -22.244 1.00 0.00 N ATOM 1064 CA GLN A 75 -8.009 4.891 -21.567 1.00 0.00 C ATOM 1065 C GLN A 75 -8.038 6.016 -22.570 1.00 0.00 C ATOM 1066 O GLN A 75 -7.995 5.781 -23.789 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.718 4.909 -20.755 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.721 3.960 -19.569 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.471 4.090 -18.734 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.415 4.886 -17.798 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.474 3.313 -19.048 1.00 0.00 N ATOM 0 H GLN A 75 -7.397 3.269 -22.715 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.817 5.023 -20.848 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.885 4.653 -21.410 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.541 5.923 -20.396 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.594 4.160 -18.948 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.813 2.934 -19.926 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.559 2.666 -19.832 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.608 3.352 -18.510 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.113 7.206 -22.076 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.208 8.379 -22.886 1.00 0.00 C ATOM 1082 C ALA A 76 -6.850 8.787 -23.449 1.00 0.00 C ATOM 1083 O ALA A 76 -5.800 8.388 -22.921 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.782 9.512 -22.061 1.00 0.00 C ATOM 0 H ALA A 76 -8.110 7.397 -21.074 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.863 8.158 -23.729 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.856 10.409 -22.676 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.773 9.235 -21.703 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.130 9.709 -21.210 1.00 0.00 H new ATOM 1090 N PRO A 77 -6.867 9.531 -24.568 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.673 10.149 -25.157 1.00 0.00 C ATOM 1092 C PRO A 77 -4.919 11.007 -24.141 1.00 0.00 C ATOM 1093 O PRO A 77 -5.515 11.533 -23.196 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.257 11.065 -26.226 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.551 10.458 -26.604 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.070 9.779 -25.378 1.00 0.00 C ATOM 0 HA PRO A 77 -4.966 9.404 -25.523 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.395 12.076 -25.843 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.592 11.138 -27.086 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.250 11.218 -26.953 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.423 9.745 -27.419 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.785 10.407 -24.847 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.583 8.849 -25.624 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.635 11.187 -24.376 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.752 11.957 -23.485 1.00 0.00 C ATOM 1106 C ASP A 78 -3.214 13.406 -23.356 1.00 0.00 C ATOM 1107 O ASP A 78 -3.064 14.028 -22.307 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.308 11.902 -24.006 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.322 12.744 -23.205 1.00 0.00 C ATOM 1110 OD1 ASP A 78 0.199 12.260 -22.168 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.009 13.883 -23.629 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.159 10.805 -25.193 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.795 11.507 -22.493 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.971 10.865 -24.001 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.295 12.236 -25.043 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.833 13.900 -24.408 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.297 15.269 -24.468 1.00 0.00 C ATOM 1118 C TRP A 79 -5.692 15.446 -23.848 1.00 0.00 C ATOM 1119 O TRP A 79 -6.157 16.559 -23.683 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.278 15.765 -25.922 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.102 14.952 -26.869 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.656 13.958 -27.657 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.508 15.071 -27.127 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.682 13.446 -28.401 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.830 14.111 -28.094 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.523 15.896 -26.635 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.115 13.950 -28.584 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.793 15.730 -27.119 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.080 14.766 -28.087 1.00 0.00 C ATOM 0 H TRP A 79 -4.029 13.359 -25.250 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.614 15.873 -23.872 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.633 16.795 -25.945 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.247 15.775 -26.275 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.633 13.613 -27.696 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.601 12.687 -29.078 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.310 16.648 -25.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.341 13.205 -29.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.588 16.357 -26.744 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.093 14.667 -28.449 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.360 14.362 -23.540 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.666 14.450 -22.946 1.00 0.00 C ATOM 1142 C LEU A 80 -7.497 14.289 -21.458 1.00 0.00 C ATOM 1143 O LEU A 80 -7.155 13.205 -20.978 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.614 13.384 -23.527 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.054 13.398 -22.992 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.711 14.746 -23.239 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.879 12.292 -23.629 1.00 0.00 C ATOM 0 H LEU A 80 -6.020 13.412 -23.691 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.121 15.415 -23.168 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.649 13.509 -24.609 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.185 12.401 -23.333 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.010 13.224 -21.917 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.730 14.731 -22.851 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.142 15.526 -22.733 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.733 14.949 -24.310 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.895 12.322 -23.234 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.905 12.434 -24.709 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.430 11.325 -23.401 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.716 15.343 -20.734 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.416 15.343 -19.328 1.00 0.00 C ATOM 1161 C ALA A 81 -8.663 15.444 -18.507 1.00 0.00 C ATOM 1162 O ALA A 81 -9.645 16.060 -18.931 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.462 16.482 -18.990 1.00 0.00 C ATOM 0 H ALA A 81 -8.102 16.217 -21.090 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.933 14.396 -19.087 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.244 16.469 -17.922 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.536 16.359 -19.551 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.923 17.434 -19.255 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.640 14.831 -17.350 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.744 14.907 -16.436 1.00 0.00 C ATOM 1171 C ALA A 82 -9.237 15.397 -15.105 1.00 0.00 C ATOM 1172 O ALA A 82 -8.309 14.816 -14.534 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.395 13.542 -16.276 1.00 0.00 C ATOM 0 H ALA A 82 -7.857 14.268 -17.019 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.492 15.597 -16.825 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.230 13.617 -15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.759 13.197 -17.244 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.663 12.833 -15.890 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.861 16.412 -14.607 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.487 17.032 -13.379 1.00 0.00 C ATOM 1181 C GLU A 83 -10.541 16.741 -12.331 1.00 0.00 C ATOM 1182 O GLU A 83 -11.717 17.054 -12.530 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.370 18.534 -13.575 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.299 18.977 -14.564 1.00 0.00 C ATOM 1185 CD GLU A 83 -6.909 18.846 -14.010 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -6.524 19.701 -13.182 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -6.168 17.926 -14.402 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.668 16.846 -15.056 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.525 16.637 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.334 18.917 -13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.164 18.995 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.381 18.381 -15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.477 20.015 -14.846 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.144 16.091 -11.253 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.007 15.790 -10.112 1.00 0.00 C ATOM 1196 C PRO A 84 -11.695 17.033 -9.558 1.00 0.00 C ATOM 1197 O PRO A 84 -11.038 18.057 -9.274 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.016 15.264 -9.078 1.00 0.00 C ATOM 1199 CG PRO A 84 -8.920 14.688 -9.859 1.00 0.00 C ATOM 1200 CD PRO A 84 -8.797 15.560 -11.063 1.00 0.00 C ATOM 0 HA PRO A 84 -11.810 15.102 -10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.660 16.065 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.478 14.515 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.993 14.675 -9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -9.136 13.657 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.072 16.358 -10.905 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.464 14.994 -11.933 1.00 0.00 H new ATOM 1208 N TYR A 85 -12.988 16.976 -9.446 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.715 18.030 -8.846 1.00 0.00 C ATOM 1210 C TYR A 85 -14.513 17.479 -7.667 1.00 0.00 C ATOM 1211 O TYR A 85 -15.708 17.097 -7.818 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.585 18.812 -9.844 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.302 20.005 -9.224 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.585 21.059 -8.666 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.686 20.076 -9.199 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.232 22.142 -8.099 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.338 21.152 -8.638 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.611 22.180 -8.089 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.272 23.258 -7.527 1.00 0.00 O ATOM 1220 OXT TYR A 85 -13.930 17.369 -6.589 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.559 16.195 -9.770 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.005 18.769 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.958 19.162 -10.664 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.325 18.137 -10.274 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.505 21.031 -8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.265 19.272 -9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.662 22.952 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.417 21.187 -8.630 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.240 23.125 -7.605 1.00 0.00 H new TER 1230 TYR A 85