USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 61 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.44) USER MOD Set 1.2: A 68 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -151:sc= 0.00122 (180deg=0) USER MOD Set 2.2: A 8 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.92! C(o=-4.9!,f=-7.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -6.5! C(o=-6.5!,f=-8.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc=-0.00722 (180deg=-0.242) USER MOD Single : A 45 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.13) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -0.455 (180deg=-2.37!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.31) USER MOD Single : A 50 HIS : no HE2:sc= -0.031 K(o=-0.031,f=-0.57) USER MOD Single : A 51 SER OG : rot 90:sc= -3.54! USER MOD Single : A 52 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-2.8!) USER MOD Single : A 57 MET CE :methyl -161:sc= -0.399 (180deg=-1.78!) USER MOD Single : A 58 MET CE :methyl 132:sc= -3.46! (180deg=-7.12!) USER MOD Single : A 70 GLN : amide:sc= -6.34! C(o=-6.3!,f=-10!) USER MOD Single : A 77 TYR OH : rot 44:sc= 0.00556 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -0.0205 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 73.930 -9.167 -10.507 1.00 0.00 N ATOM 2 CA PRO A 1 74.772 -7.933 -10.422 1.00 0.00 C ATOM 3 C PRO A 1 74.013 -6.748 -11.021 1.00 0.00 C ATOM 4 O PRO A 1 72.918 -6.892 -11.529 1.00 0.00 O ATOM 5 CB PRO A 1 76.057 -8.177 -11.212 1.00 0.00 C ATOM 6 CG PRO A 1 75.980 -9.587 -11.781 1.00 0.00 C ATOM 7 CD PRO A 1 74.649 -10.188 -11.330 1.00 0.00 C ATOM 0 H2 PRO A 1 73.026 -8.949 -10.926 1.00 0.00 H new ATOM 0 H3 PRO A 1 73.745 -9.533 -9.573 1.00 0.00 H new ATOM 0 HA PRO A 1 75.007 -7.707 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 1 76.160 -7.445 -12.013 1.00 0.00 H new ATOM 0 HB3 PRO A 1 76.930 -8.070 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 1 76.043 -9.566 -12.869 1.00 0.00 H new ATOM 0 HG3 PRO A 1 76.815 -10.191 -11.425 1.00 0.00 H new ATOM 0 HD2 PRO A 1 74.048 -10.472 -12.194 1.00 0.00 H new ATOM 0 HD3 PRO A 1 74.819 -11.094 -10.748 1.00 0.00 H new ATOM 17 N ILE A 2 74.585 -5.576 -10.968 1.00 0.00 N ATOM 18 CA ILE A 2 73.905 -4.386 -11.531 1.00 0.00 C ATOM 19 C ILE A 2 73.618 -4.616 -13.016 1.00 0.00 C ATOM 20 O ILE A 2 73.774 -5.707 -13.527 1.00 0.00 O ATOM 21 CB ILE A 2 74.821 -3.178 -11.365 1.00 0.00 C ATOM 22 CG1 ILE A 2 76.240 -3.552 -11.800 1.00 0.00 C ATOM 23 CG2 ILE A 2 74.835 -2.743 -9.898 1.00 0.00 C ATOM 24 CD1 ILE A 2 76.604 -2.781 -13.070 1.00 0.00 C ATOM 0 H ILE A 2 75.500 -5.396 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 2 72.963 -4.212 -11.011 1.00 0.00 H new ATOM 0 HB ILE A 2 74.455 -2.357 -11.982 1.00 0.00 H new ATOM 0 HG12 ILE A 2 76.949 -3.320 -11.005 1.00 0.00 H new ATOM 0 HG13 ILE A 2 76.305 -4.625 -11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 2 75.490 -1.880 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 2 73.825 -2.477 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 2 75.200 -3.562 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 2 77.615 -3.047 -13.380 1.00 0.00 H new ATOM 0 HD12 ILE A 2 75.902 -3.036 -13.864 1.00 0.00 H new ATOM 0 HD13 ILE A 2 76.555 -1.710 -12.872 1.00 0.00 H new ATOM 36 N THR A 3 73.199 -3.597 -13.714 1.00 0.00 N ATOM 37 CA THR A 3 72.905 -3.755 -15.161 1.00 0.00 C ATOM 38 C THR A 3 72.722 -2.374 -15.803 1.00 0.00 C ATOM 39 O THR A 3 73.119 -1.367 -15.250 1.00 0.00 O ATOM 40 CB THR A 3 71.647 -4.631 -15.339 1.00 0.00 C ATOM 41 OG1 THR A 3 71.839 -5.498 -16.447 1.00 0.00 O ATOM 42 CG2 THR A 3 70.393 -3.779 -15.581 1.00 0.00 C ATOM 0 H THR A 3 73.048 -2.660 -13.341 1.00 0.00 H new ATOM 0 HA THR A 3 73.738 -4.251 -15.659 1.00 0.00 H new ATOM 0 HB THR A 3 71.498 -5.202 -14.422 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.044 -6.059 -16.565 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.528 -4.431 -15.702 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.233 -3.117 -14.730 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.527 -3.183 -16.484 1.00 0.00 H new ATOM 50 N LYS A 4 72.130 -2.325 -16.966 1.00 0.00 N ATOM 51 CA LYS A 4 71.921 -1.017 -17.652 1.00 0.00 C ATOM 52 C LYS A 4 71.512 0.050 -16.633 1.00 0.00 C ATOM 53 O LYS A 4 72.344 0.734 -16.071 1.00 0.00 O ATOM 54 CB LYS A 4 70.818 -1.165 -18.703 1.00 0.00 C ATOM 55 CG LYS A 4 71.303 -2.081 -19.828 1.00 0.00 C ATOM 56 CD LYS A 4 70.691 -1.629 -21.155 1.00 0.00 C ATOM 57 CE LYS A 4 69.919 -2.791 -21.783 1.00 0.00 C ATOM 58 NZ LYS A 4 69.683 -2.509 -23.228 1.00 0.00 N ATOM 0 H LYS A 4 71.781 -3.138 -17.473 1.00 0.00 H new ATOM 0 HA LYS A 4 72.851 -0.714 -18.133 1.00 0.00 H new ATOM 0 HB2 LYS A 4 69.919 -1.578 -18.246 1.00 0.00 H new ATOM 0 HB3 LYS A 4 70.551 -0.188 -19.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 72.391 -2.054 -19.889 1.00 0.00 H new ATOM 0 HG3 LYS A 4 71.021 -3.113 -19.618 1.00 0.00 H new ATOM 0 HD2 LYS A 4 70.025 -0.782 -20.991 1.00 0.00 H new ATOM 0 HD3 LYS A 4 71.475 -1.291 -21.833 1.00 0.00 H new ATOM 0 HE2 LYS A 4 70.481 -3.718 -21.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 68.968 -2.930 -21.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 69.158 -3.299 -23.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 69.130 -1.634 -23.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 70.596 -2.397 -23.714 1.00 0.00 H new ATOM 72 N GLU A 5 70.238 0.204 -16.393 1.00 0.00 N ATOM 73 CA GLU A 5 69.784 1.232 -15.419 1.00 0.00 C ATOM 74 C GLU A 5 69.707 0.629 -14.024 1.00 0.00 C ATOM 75 O GLU A 5 69.069 1.157 -13.134 1.00 0.00 O ATOM 76 CB GLU A 5 68.410 1.748 -15.825 1.00 0.00 C ATOM 77 CG GLU A 5 68.516 3.209 -16.267 1.00 0.00 C ATOM 78 CD GLU A 5 67.738 3.407 -17.570 1.00 0.00 C ATOM 79 OE1 GLU A 5 66.923 2.556 -17.884 1.00 0.00 O ATOM 80 OE2 GLU A 5 67.973 4.406 -18.230 1.00 0.00 O ATOM 0 H GLU A 5 69.493 -0.339 -16.830 1.00 0.00 H new ATOM 0 HA GLU A 5 70.497 2.056 -15.414 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.008 1.141 -16.636 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.717 1.661 -14.988 1.00 0.00 H new ATOM 0 HG2 GLU A 5 68.119 3.864 -15.491 1.00 0.00 H new ATOM 0 HG3 GLU A 5 69.562 3.481 -16.411 1.00 0.00 H new ATOM 87 N GLU A 6 70.363 -0.463 -13.834 1.00 0.00 N ATOM 88 CA GLU A 6 70.363 -1.121 -12.501 1.00 0.00 C ATOM 89 C GLU A 6 71.445 -0.505 -11.631 1.00 0.00 C ATOM 90 O GLU A 6 71.712 -0.939 -10.527 1.00 0.00 O ATOM 91 CB GLU A 6 70.638 -2.604 -12.677 1.00 0.00 C ATOM 92 CG GLU A 6 69.320 -3.354 -12.871 1.00 0.00 C ATOM 93 CD GLU A 6 69.581 -4.862 -12.848 1.00 0.00 C ATOM 94 OE1 GLU A 6 70.470 -5.279 -12.125 1.00 0.00 O ATOM 95 OE2 GLU A 6 68.887 -5.574 -13.556 1.00 0.00 O ATOM 0 H GLU A 6 70.910 -0.941 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 6 69.393 -0.982 -12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 6 71.288 -2.763 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 6 71.163 -2.992 -11.804 1.00 0.00 H new ATOM 0 HG2 GLU A 6 68.617 -3.084 -12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.863 -3.068 -13.818 1.00 0.00 H new ATOM 102 N LYS A 7 72.059 0.506 -12.135 1.00 0.00 N ATOM 103 CA LYS A 7 73.136 1.199 -11.382 1.00 0.00 C ATOM 104 C LYS A 7 73.258 2.647 -11.869 1.00 0.00 C ATOM 105 O LYS A 7 73.559 3.543 -11.106 1.00 0.00 O ATOM 106 CB LYS A 7 74.465 0.471 -11.599 1.00 0.00 C ATOM 107 CG LYS A 7 74.856 0.548 -13.076 1.00 0.00 C ATOM 108 CD LYS A 7 75.751 1.768 -13.307 1.00 0.00 C ATOM 109 CE LYS A 7 77.092 1.315 -13.887 1.00 0.00 C ATOM 110 NZ LYS A 7 77.881 2.509 -14.303 1.00 0.00 N ATOM 0 H LYS A 7 71.863 0.897 -13.056 1.00 0.00 H new ATOM 0 HA LYS A 7 72.891 1.196 -10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.243 0.921 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 7 74.376 -0.570 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.380 -0.361 -13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.962 0.617 -13.696 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.265 2.465 -13.989 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.909 2.299 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.646 0.740 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.928 0.658 -14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.507 2.253 -15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.234 3.265 -14.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 78.454 2.843 -13.502 1.00 0.00 H new ATOM 124 N GLN A 8 73.029 2.883 -13.132 1.00 0.00 N ATOM 125 CA GLN A 8 73.135 4.270 -13.660 1.00 0.00 C ATOM 126 C GLN A 8 72.202 5.193 -12.872 1.00 0.00 C ATOM 127 O GLN A 8 72.520 6.334 -12.607 1.00 0.00 O ATOM 128 CB GLN A 8 72.740 4.285 -15.138 1.00 0.00 C ATOM 129 CG GLN A 8 73.766 3.487 -15.946 1.00 0.00 C ATOM 130 CD GLN A 8 75.021 4.335 -16.157 1.00 0.00 C ATOM 131 OE1 GLN A 8 75.573 4.870 -15.216 1.00 0.00 O ATOM 132 NE2 GLN A 8 75.499 4.482 -17.362 1.00 0.00 N ATOM 0 H GLN A 8 72.773 2.175 -13.820 1.00 0.00 H new ATOM 0 HA GLN A 8 74.162 4.619 -13.555 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.747 3.855 -15.265 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.692 5.311 -15.503 1.00 0.00 H new ATOM 0 HG2 GLN A 8 74.021 2.566 -15.422 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.343 3.199 -16.908 1.00 0.00 H new ATOM 0 HE21 GLN A 8 75.036 4.033 -18.152 1.00 0.00 H new ATOM 0 HE22 GLN A 8 76.335 5.046 -17.514 1.00 0.00 H new ATOM 141 N LYS A 9 71.048 4.709 -12.498 1.00 0.00 N ATOM 142 CA LYS A 9 70.099 5.558 -11.732 1.00 0.00 C ATOM 143 C LYS A 9 70.599 5.716 -10.293 1.00 0.00 C ATOM 144 O LYS A 9 70.322 6.697 -9.634 1.00 0.00 O ATOM 145 CB LYS A 9 68.717 4.902 -11.725 1.00 0.00 C ATOM 146 CG LYS A 9 67.647 5.963 -11.989 1.00 0.00 C ATOM 147 CD LYS A 9 66.656 5.991 -10.823 1.00 0.00 C ATOM 148 CE LYS A 9 66.353 7.443 -10.447 1.00 0.00 C ATOM 149 NZ LYS A 9 64.878 7.629 -10.325 1.00 0.00 N ATOM 0 H LYS A 9 70.724 3.761 -12.691 1.00 0.00 H new ATOM 0 HA LYS A 9 70.031 6.540 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.668 4.124 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.537 4.420 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.112 6.942 -12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.124 5.743 -12.920 1.00 0.00 H new ATOM 0 HD2 LYS A 9 65.736 5.476 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 9 67.071 5.461 -9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.841 7.695 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.754 8.117 -11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.673 8.616 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.424 7.405 -11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.508 6.996 -9.587 1.00 0.00 H new ATOM 163 N VAL A 10 71.331 4.753 -9.802 1.00 0.00 N ATOM 164 CA VAL A 10 71.845 4.843 -8.408 1.00 0.00 C ATOM 165 C VAL A 10 72.810 6.023 -8.288 1.00 0.00 C ATOM 166 O VAL A 10 72.652 6.885 -7.448 1.00 0.00 O ATOM 167 CB VAL A 10 72.580 3.549 -8.051 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.251 3.703 -6.686 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.579 2.392 -7.999 1.00 0.00 C ATOM 0 H VAL A 10 71.595 3.907 -10.308 1.00 0.00 H new ATOM 0 HA VAL A 10 71.008 4.990 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 10 73.338 3.341 -8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.774 2.781 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.964 4.527 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.494 3.911 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 10 72.102 1.470 -7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.822 2.600 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 10 71.100 2.281 -8.972 1.00 0.00 H new ATOM 179 N ILE A 11 73.812 6.060 -9.119 1.00 0.00 N ATOM 180 CA ILE A 11 74.794 7.175 -9.055 1.00 0.00 C ATOM 181 C ILE A 11 74.146 8.449 -9.567 1.00 0.00 C ATOM 182 O ILE A 11 74.260 9.509 -8.990 1.00 0.00 O ATOM 183 CB ILE A 11 76.033 6.828 -9.892 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.925 7.316 -11.352 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.250 5.317 -9.878 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.052 6.367 -12.163 1.00 0.00 C ATOM 0 H ILE A 11 73.994 5.364 -9.842 1.00 0.00 H new ATOM 0 HA ILE A 11 75.106 7.328 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 11 76.880 7.344 -9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.502 8.320 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.918 7.377 -11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.130 5.070 -10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.399 4.980 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.376 4.820 -10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.985 6.723 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.492 5.370 -12.153 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.054 6.328 -11.726 1.00 0.00 H new ATOM 198 N GLN A 12 73.473 8.330 -10.660 1.00 0.00 N ATOM 199 CA GLN A 12 72.783 9.509 -11.269 1.00 0.00 C ATOM 200 C GLN A 12 72.210 10.365 -10.144 1.00 0.00 C ATOM 201 O GLN A 12 72.214 11.579 -10.197 1.00 0.00 O ATOM 202 CB GLN A 12 71.650 9.028 -12.178 1.00 0.00 C ATOM 203 CG GLN A 12 72.133 9.003 -13.630 1.00 0.00 C ATOM 204 CD GLN A 12 71.856 10.358 -14.284 1.00 0.00 C ATOM 205 OE1 GLN A 12 72.018 11.450 -13.587 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 71.488 10.424 -15.440 1.00 0.00 N flip ATOM 0 H GLN A 12 73.362 7.457 -11.175 1.00 0.00 H new ATOM 0 HA GLN A 12 73.488 10.092 -11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.325 8.033 -11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 70.788 9.688 -12.082 1.00 0.00 H new ATOM 0 HG2 GLN A 12 73.200 8.781 -13.666 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.624 8.211 -14.180 1.00 0.00 H new ATOM 0 HE21 GLN A 12 71.361 9.571 -15.984 1.00 0.00 H new ATOM 0 HE22 GLN A 12 71.306 11.333 -15.866 1.00 0.00 H new ATOM 215 N GLU A 13 71.750 9.723 -9.108 1.00 0.00 N ATOM 216 CA GLU A 13 71.209 10.464 -7.945 1.00 0.00 C ATOM 217 C GLU A 13 72.351 10.705 -6.956 1.00 0.00 C ATOM 218 O GLU A 13 72.442 11.742 -6.329 1.00 0.00 O ATOM 219 CB GLU A 13 70.108 9.639 -7.272 1.00 0.00 C ATOM 220 CG GLU A 13 68.781 9.867 -7.999 1.00 0.00 C ATOM 221 CD GLU A 13 68.228 11.246 -7.633 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.778 11.864 -6.737 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.265 11.660 -8.258 1.00 0.00 O ATOM 0 H GLU A 13 71.727 8.707 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 13 70.785 11.414 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.368 8.581 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.014 9.924 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 13 68.928 9.797 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.066 9.092 -7.724 1.00 0.00 H new ATOM 230 N PHE A 14 73.227 9.744 -6.823 1.00 0.00 N ATOM 231 CA PHE A 14 74.372 9.887 -5.891 1.00 0.00 C ATOM 232 C PHE A 14 75.547 10.547 -6.613 1.00 0.00 C ATOM 233 O PHE A 14 75.909 11.672 -6.325 1.00 0.00 O ATOM 234 CB PHE A 14 74.793 8.503 -5.396 1.00 0.00 C ATOM 235 CG PHE A 14 73.863 8.057 -4.295 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.486 7.972 -4.535 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.376 7.730 -3.035 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.622 7.560 -3.514 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.512 7.317 -2.013 1.00 0.00 C ATOM 240 CZ PHE A 14 72.135 7.233 -2.253 1.00 0.00 C ATOM 0 H PHE A 14 73.193 8.859 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 14 74.076 10.508 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.769 7.788 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.819 8.533 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.091 8.224 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.438 7.796 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.560 7.494 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 14 73.908 7.063 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.468 6.916 -1.465 1.00 0.00 H new ATOM 250 N ALA A 15 76.150 9.862 -7.547 1.00 0.00 N ATOM 251 CA ALA A 15 77.300 10.457 -8.279 1.00 0.00 C ATOM 252 C ALA A 15 76.849 11.729 -8.988 1.00 0.00 C ATOM 253 O ALA A 15 75.953 11.709 -9.809 1.00 0.00 O ATOM 254 CB ALA A 15 77.824 9.465 -9.317 1.00 0.00 C ATOM 0 H ALA A 15 75.895 8.917 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 15 78.092 10.691 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.666 9.907 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.149 8.553 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.031 9.227 -10.026 1.00 0.00 H new ATOM 260 N ARG A 16 77.469 12.835 -8.691 1.00 0.00 N ATOM 261 CA ARG A 16 77.079 14.101 -9.365 1.00 0.00 C ATOM 262 C ARG A 16 77.966 14.298 -10.588 1.00 0.00 C ATOM 263 O ARG A 16 78.272 15.407 -10.982 1.00 0.00 O ATOM 264 CB ARG A 16 77.249 15.280 -8.402 1.00 0.00 C ATOM 265 CG ARG A 16 78.517 15.085 -7.569 1.00 0.00 C ATOM 266 CD ARG A 16 78.161 14.394 -6.251 1.00 0.00 C ATOM 267 NE ARG A 16 77.823 15.422 -5.226 1.00 0.00 N ATOM 268 CZ ARG A 16 78.765 16.158 -4.700 1.00 0.00 C ATOM 269 NH1 ARG A 16 80.018 15.913 -4.973 1.00 0.00 N ATOM 270 NH2 ARG A 16 78.453 17.141 -3.900 1.00 0.00 N ATOM 0 H ARG A 16 78.227 12.917 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 16 76.034 14.049 -9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 16 77.310 16.213 -8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.380 15.356 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.240 14.486 -8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 16 78.987 16.049 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.317 13.720 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 16 78.999 13.786 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 16 76.854 15.551 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 16 80.263 15.145 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 16 80.752 16.489 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.474 17.334 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 16 79.188 17.717 -3.489 1.00 0.00 H new ATOM 284 N PHE A 17 78.383 13.222 -11.188 1.00 0.00 N ATOM 285 CA PHE A 17 79.258 13.321 -12.386 1.00 0.00 C ATOM 286 C PHE A 17 79.449 11.921 -12.967 1.00 0.00 C ATOM 287 O PHE A 17 79.094 10.940 -12.341 1.00 0.00 O ATOM 288 CB PHE A 17 80.615 13.893 -11.965 1.00 0.00 C ATOM 289 CG PHE A 17 80.639 15.385 -12.210 1.00 0.00 C ATOM 290 CD1 PHE A 17 80.104 15.913 -13.392 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.197 16.239 -11.252 1.00 0.00 C ATOM 292 CE1 PHE A 17 80.129 17.296 -13.614 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.222 17.621 -11.475 1.00 0.00 C ATOM 294 CZ PHE A 17 80.688 18.149 -12.657 1.00 0.00 C ATOM 0 H PHE A 17 78.154 12.271 -10.898 1.00 0.00 H new ATOM 0 HA PHE A 17 78.807 13.972 -13.134 1.00 0.00 H new ATOM 0 HB2 PHE A 17 80.796 13.685 -10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.414 13.410 -12.527 1.00 0.00 H new ATOM 0 HD1 PHE A 17 79.673 15.255 -14.131 1.00 0.00 H new ATOM 0 HD2 PHE A 17 81.609 15.832 -10.340 1.00 0.00 H new ATOM 0 HE1 PHE A 17 79.716 17.704 -14.525 1.00 0.00 H new ATOM 0 HE2 PHE A 17 81.653 18.280 -10.736 1.00 0.00 H new ATOM 0 HZ PHE A 17 80.708 19.215 -12.830 1.00 0.00 H new ATOM 304 N PRO A 18 80.019 11.865 -14.139 1.00 0.00 N ATOM 305 CA PRO A 18 80.289 10.590 -14.821 1.00 0.00 C ATOM 306 C PRO A 18 81.473 9.882 -14.154 1.00 0.00 C ATOM 307 O PRO A 18 81.892 8.820 -14.571 1.00 0.00 O ATOM 308 CB PRO A 18 80.613 11.009 -16.257 1.00 0.00 C ATOM 309 CG PRO A 18 81.046 12.493 -16.188 1.00 0.00 C ATOM 310 CD PRO A 18 80.450 13.061 -14.892 1.00 0.00 C ATOM 0 HA PRO A 18 79.458 9.886 -14.780 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.409 10.391 -16.673 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.744 10.887 -16.903 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.132 12.580 -16.186 1.00 0.00 H new ATOM 0 HG3 PRO A 18 80.683 13.044 -17.056 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.187 13.639 -14.334 1.00 0.00 H new ATOM 0 HD3 PRO A 18 79.611 13.727 -15.097 1.00 0.00 H new ATOM 318 N GLY A 19 82.007 10.464 -13.111 1.00 0.00 N ATOM 319 CA GLY A 19 83.151 9.833 -12.401 1.00 0.00 C ATOM 320 C GLY A 19 82.837 9.758 -10.904 1.00 0.00 C ATOM 321 O GLY A 19 83.596 9.208 -10.131 1.00 0.00 O ATOM 0 H GLY A 19 81.696 11.354 -12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.333 8.834 -12.797 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.060 10.412 -12.565 1.00 0.00 H new ATOM 325 N ASP A 20 81.720 10.302 -10.485 1.00 0.00 N ATOM 326 CA ASP A 20 81.366 10.250 -9.043 1.00 0.00 C ATOM 327 C ASP A 20 80.554 8.992 -8.764 1.00 0.00 C ATOM 328 O ASP A 20 79.891 8.867 -7.752 1.00 0.00 O ATOM 329 CB ASP A 20 80.560 11.492 -8.658 1.00 0.00 C ATOM 330 CG ASP A 20 81.516 12.609 -8.235 1.00 0.00 C ATOM 331 OD1 ASP A 20 81.972 13.334 -9.105 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.775 12.722 -7.048 1.00 0.00 O ATOM 0 H ASP A 20 81.043 10.777 -11.082 1.00 0.00 H new ATOM 0 HA ASP A 20 82.279 10.227 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 79.951 11.819 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 20 79.876 11.256 -7.843 1.00 0.00 H new ATOM 337 N THR A 21 80.624 8.057 -9.655 1.00 0.00 N ATOM 338 CA THR A 21 79.886 6.775 -9.478 1.00 0.00 C ATOM 339 C THR A 21 80.786 5.798 -8.727 1.00 0.00 C ATOM 340 O THR A 21 80.327 4.865 -8.098 1.00 0.00 O ATOM 341 CB THR A 21 79.523 6.189 -10.845 1.00 0.00 C ATOM 342 OG1 THR A 21 79.261 4.799 -10.707 1.00 0.00 O ATOM 343 CG2 THR A 21 80.686 6.392 -11.816 1.00 0.00 C ATOM 0 H THR A 21 81.169 8.121 -10.515 1.00 0.00 H new ATOM 0 HA THR A 21 78.969 6.951 -8.916 1.00 0.00 H new ATOM 0 HB THR A 21 78.637 6.693 -11.231 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.027 4.422 -11.581 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.425 5.974 -12.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.890 7.458 -11.922 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.573 5.889 -11.431 1.00 0.00 H new ATOM 351 N GLY A 22 82.070 6.021 -8.776 1.00 0.00 N ATOM 352 CA GLY A 22 83.012 5.125 -8.055 1.00 0.00 C ATOM 353 C GLY A 22 83.468 5.815 -6.768 1.00 0.00 C ATOM 354 O GLY A 22 84.232 5.271 -5.997 1.00 0.00 O ATOM 0 H GLY A 22 82.507 6.788 -9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.527 4.177 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.872 4.897 -8.685 1.00 0.00 H new ATOM 358 N SER A 23 83.001 7.015 -6.532 1.00 0.00 N ATOM 359 CA SER A 23 83.405 7.743 -5.295 1.00 0.00 C ATOM 360 C SER A 23 83.169 6.849 -4.075 1.00 0.00 C ATOM 361 O SER A 23 82.810 5.695 -4.200 1.00 0.00 O ATOM 362 CB SER A 23 82.573 9.019 -5.162 1.00 0.00 C ATOM 363 OG SER A 23 83.443 10.137 -5.049 1.00 0.00 O ATOM 0 H SER A 23 82.359 7.520 -7.142 1.00 0.00 H new ATOM 0 HA SER A 23 84.462 8.002 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 23 81.923 9.135 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 23 81.927 8.956 -4.286 1.00 0.00 H new ATOM 0 HG SER A 23 82.913 10.957 -4.965 1.00 0.00 H new ATOM 369 N THR A 24 83.369 7.370 -2.896 1.00 0.00 N ATOM 370 CA THR A 24 83.158 6.546 -1.673 1.00 0.00 C ATOM 371 C THR A 24 81.698 6.653 -1.229 1.00 0.00 C ATOM 372 O THR A 24 81.110 5.696 -0.767 1.00 0.00 O ATOM 373 CB THR A 24 84.069 7.052 -0.553 1.00 0.00 C ATOM 374 OG1 THR A 24 85.419 6.734 -0.863 1.00 0.00 O ATOM 375 CG2 THR A 24 83.676 6.383 0.765 1.00 0.00 C ATOM 0 H THR A 24 83.669 8.330 -2.727 1.00 0.00 H new ATOM 0 HA THR A 24 83.395 5.505 -1.893 1.00 0.00 H new ATOM 0 HB THR A 24 83.963 8.133 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 24 86.004 7.059 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.325 6.743 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.640 6.626 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.783 5.302 0.670 1.00 0.00 H new ATOM 383 N GLU A 25 81.109 7.809 -1.362 1.00 0.00 N ATOM 384 CA GLU A 25 79.690 7.978 -0.949 1.00 0.00 C ATOM 385 C GLU A 25 78.796 7.079 -1.802 1.00 0.00 C ATOM 386 O GLU A 25 78.036 6.277 -1.294 1.00 0.00 O ATOM 387 CB GLU A 25 79.285 9.435 -1.156 1.00 0.00 C ATOM 388 CG GLU A 25 80.247 10.345 -0.396 1.00 0.00 C ATOM 389 CD GLU A 25 81.078 11.157 -1.393 1.00 0.00 C ATOM 390 OE1 GLU A 25 80.513 12.026 -2.035 1.00 0.00 O ATOM 391 OE2 GLU A 25 82.265 10.895 -1.495 1.00 0.00 O ATOM 0 H GLU A 25 81.552 8.646 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 25 79.578 7.705 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.299 9.680 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.265 9.593 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.690 11.014 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.902 9.749 0.240 1.00 0.00 H new ATOM 398 N VAL A 26 78.881 7.211 -3.095 1.00 0.00 N ATOM 399 CA VAL A 26 78.036 6.371 -3.990 1.00 0.00 C ATOM 400 C VAL A 26 78.165 4.903 -3.584 1.00 0.00 C ATOM 401 O VAL A 26 77.212 4.151 -3.627 1.00 0.00 O ATOM 402 CB VAL A 26 78.499 6.542 -5.437 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.632 5.680 -6.357 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.367 8.012 -5.845 1.00 0.00 C ATOM 0 H VAL A 26 79.500 7.866 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 26 76.995 6.682 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 26 79.540 6.232 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.963 5.802 -7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.724 4.633 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.590 5.990 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.697 8.134 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.326 8.322 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.984 8.628 -5.191 1.00 0.00 H new ATOM 414 N GLN A 27 79.336 4.487 -3.191 1.00 0.00 N ATOM 415 CA GLN A 27 79.519 3.067 -2.787 1.00 0.00 C ATOM 416 C GLN A 27 78.740 2.802 -1.502 1.00 0.00 C ATOM 417 O GLN A 27 78.004 1.844 -1.404 1.00 0.00 O ATOM 418 CB GLN A 27 81.004 2.779 -2.561 1.00 0.00 C ATOM 419 CG GLN A 27 81.740 2.808 -3.902 1.00 0.00 C ATOM 420 CD GLN A 27 81.730 1.410 -4.521 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.930 0.427 -3.836 1.00 0.00 O ATOM 422 NE2 GLN A 27 81.506 1.278 -5.800 1.00 0.00 N ATOM 0 H GLN A 27 80.172 5.068 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 27 79.148 2.415 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.430 3.520 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.128 1.805 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.262 3.519 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.766 3.146 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 27 81.338 2.103 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 27 81.499 0.350 -6.223 1.00 0.00 H new ATOM 431 N VAL A 28 78.878 3.645 -0.520 1.00 0.00 N ATOM 432 CA VAL A 28 78.115 3.422 0.734 1.00 0.00 C ATOM 433 C VAL A 28 76.659 3.175 0.351 1.00 0.00 C ATOM 434 O VAL A 28 75.958 2.420 0.987 1.00 0.00 O ATOM 435 CB VAL A 28 78.220 4.661 1.628 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.265 4.526 2.815 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.655 4.793 2.145 1.00 0.00 C ATOM 0 H VAL A 28 79.479 4.469 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 28 78.513 2.568 1.282 1.00 0.00 H new ATOM 0 HB VAL A 28 77.953 5.546 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.344 5.410 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.242 4.431 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.527 3.641 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.733 5.674 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.918 3.905 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.338 4.894 1.301 1.00 0.00 H new ATOM 447 N ALA A 29 76.202 3.792 -0.705 1.00 0.00 N ATOM 448 CA ALA A 29 74.802 3.562 -1.137 1.00 0.00 C ATOM 449 C ALA A 29 74.676 2.111 -1.588 1.00 0.00 C ATOM 450 O ALA A 29 73.744 1.417 -1.231 1.00 0.00 O ATOM 451 CB ALA A 29 74.449 4.497 -2.294 1.00 0.00 C ATOM 0 H ALA A 29 76.737 4.441 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 29 74.119 3.763 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.419 4.320 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.558 5.532 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 29 75.118 4.306 -3.133 1.00 0.00 H new ATOM 457 N LEU A 30 75.619 1.638 -2.358 1.00 0.00 N ATOM 458 CA LEU A 30 75.558 0.228 -2.807 1.00 0.00 C ATOM 459 C LEU A 30 75.711 -0.677 -1.580 1.00 0.00 C ATOM 460 O LEU A 30 75.399 -1.850 -1.616 1.00 0.00 O ATOM 461 CB LEU A 30 76.682 -0.037 -3.825 1.00 0.00 C ATOM 462 CG LEU A 30 77.968 -0.479 -3.114 1.00 0.00 C ATOM 463 CD1 LEU A 30 78.059 -2.005 -3.125 1.00 0.00 C ATOM 464 CD2 LEU A 30 79.179 0.106 -3.843 1.00 0.00 C ATOM 0 H LEU A 30 76.424 2.169 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 30 74.604 0.021 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 30 76.367 -0.807 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.874 0.866 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 30 77.954 -0.123 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.973 -2.319 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 30 77.196 -2.425 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 30 78.073 -2.361 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 30 80.093 -0.207 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 30 79.192 -0.252 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 30 79.116 1.194 -3.838 1.00 0.00 H new ATOM 476 N LEU A 31 76.189 -0.130 -0.492 1.00 0.00 N ATOM 477 CA LEU A 31 76.363 -0.944 0.736 1.00 0.00 C ATOM 478 C LEU A 31 74.972 -1.357 1.228 1.00 0.00 C ATOM 479 O LEU A 31 74.788 -2.397 1.828 1.00 0.00 O ATOM 480 CB LEU A 31 77.092 -0.107 1.810 1.00 0.00 C ATOM 481 CG LEU A 31 76.079 0.573 2.732 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.654 -0.405 3.828 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.704 1.812 3.374 1.00 0.00 C ATOM 0 H LEU A 31 76.465 0.848 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 31 76.961 -1.832 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.752 -0.748 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.719 0.645 1.331 1.00 0.00 H new ATOM 0 HG LEU A 31 75.210 0.873 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.932 0.078 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.199 -1.285 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.528 -0.706 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.975 2.289 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.577 1.519 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.006 2.512 2.595 1.00 0.00 H new ATOM 495 N THR A 32 74.000 -0.523 0.977 1.00 0.00 N ATOM 496 CA THR A 32 72.611 -0.817 1.419 1.00 0.00 C ATOM 497 C THR A 32 71.984 -1.863 0.490 1.00 0.00 C ATOM 498 O THR A 32 71.294 -2.761 0.925 1.00 0.00 O ATOM 499 CB THR A 32 71.802 0.495 1.392 1.00 0.00 C ATOM 500 OG1 THR A 32 70.863 0.490 2.458 1.00 0.00 O ATOM 501 CG2 THR A 32 71.060 0.655 0.061 1.00 0.00 C ATOM 0 H THR A 32 74.113 0.360 0.478 1.00 0.00 H new ATOM 0 HA THR A 32 72.611 -1.220 2.432 1.00 0.00 H new ATOM 0 HB THR A 32 72.493 1.330 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.348 1.324 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.497 1.588 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.780 0.672 -0.757 1.00 0.00 H new ATOM 0 HG23 THR A 32 70.374 -0.181 -0.076 1.00 0.00 H new ATOM 509 N LEU A 33 72.215 -1.743 -0.787 1.00 0.00 N ATOM 510 CA LEU A 33 71.628 -2.722 -1.747 1.00 0.00 C ATOM 511 C LEU A 33 72.002 -4.147 -1.331 1.00 0.00 C ATOM 512 O LEU A 33 71.152 -4.954 -1.018 1.00 0.00 O ATOM 513 CB LEU A 33 72.169 -2.442 -3.150 1.00 0.00 C ATOM 514 CG LEU A 33 71.225 -1.483 -3.878 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.923 -0.282 -2.981 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.889 -1.000 -5.169 1.00 0.00 C ATOM 0 H LEU A 33 72.785 -1.010 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 33 70.543 -2.622 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 33 73.167 -2.009 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.261 -3.373 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 33 70.295 -2.000 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.250 0.400 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.451 -0.625 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.852 0.236 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.218 -0.317 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.818 -0.484 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.104 -1.855 -5.810 1.00 0.00 H new ATOM 528 N ARG A 34 73.269 -4.466 -1.330 1.00 0.00 N ATOM 529 CA ARG A 34 73.694 -5.841 -0.941 1.00 0.00 C ATOM 530 C ARG A 34 73.088 -6.211 0.416 1.00 0.00 C ATOM 531 O ARG A 34 73.004 -7.370 0.772 1.00 0.00 O ATOM 532 CB ARG A 34 75.220 -5.896 -0.846 1.00 0.00 C ATOM 533 CG ARG A 34 75.773 -6.739 -1.996 1.00 0.00 C ATOM 534 CD ARG A 34 76.423 -5.823 -3.034 1.00 0.00 C ATOM 535 NE ARG A 34 77.556 -6.537 -3.686 1.00 0.00 N ATOM 536 CZ ARG A 34 78.786 -6.202 -3.406 1.00 0.00 C ATOM 537 NH1 ARG A 34 79.119 -5.906 -2.180 1.00 0.00 N ATOM 538 NH2 ARG A 34 79.682 -6.160 -4.354 1.00 0.00 N ATOM 0 H ARG A 34 74.028 -3.833 -1.582 1.00 0.00 H new ATOM 0 HA ARG A 34 73.347 -6.548 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.634 -4.889 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.520 -6.325 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.504 -7.454 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.971 -7.316 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 34 75.689 -5.525 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.781 -4.911 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 34 77.371 -7.288 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.418 -5.936 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.080 -5.644 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 34 79.421 -6.389 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.643 -5.898 -4.136 1.00 0.00 H new ATOM 552 N ILE A 35 72.666 -5.238 1.175 1.00 0.00 N ATOM 553 CA ILE A 35 72.073 -5.527 2.498 1.00 0.00 C ATOM 554 C ILE A 35 70.647 -6.056 2.300 1.00 0.00 C ATOM 555 O ILE A 35 70.278 -7.092 2.813 1.00 0.00 O ATOM 556 CB ILE A 35 72.073 -4.214 3.303 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.130 -4.294 4.401 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.706 -3.946 3.932 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.149 -3.175 4.192 1.00 0.00 C ATOM 0 H ILE A 35 72.710 -4.249 0.928 1.00 0.00 H new ATOM 0 HA ILE A 35 72.642 -6.284 3.038 1.00 0.00 H new ATOM 0 HB ILE A 35 72.300 -3.395 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.663 -4.200 5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.626 -5.264 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.740 -3.012 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.953 -3.871 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.448 -4.764 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.909 -3.224 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.622 -3.291 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.644 -2.210 4.237 1.00 0.00 H new ATOM 571 N ASN A 36 69.848 -5.333 1.568 1.00 0.00 N ATOM 572 CA ASN A 36 68.441 -5.765 1.333 1.00 0.00 C ATOM 573 C ASN A 36 68.417 -7.101 0.586 1.00 0.00 C ATOM 574 O ASN A 36 67.579 -7.944 0.835 1.00 0.00 O ATOM 575 CB ASN A 36 67.709 -4.696 0.513 1.00 0.00 C ATOM 576 CG ASN A 36 68.115 -4.796 -0.960 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.899 -5.808 -1.596 1.00 0.00 O ATOM 578 ND2 ASN A 36 68.694 -3.777 -1.533 1.00 0.00 N ATOM 0 H ASN A 36 70.110 -4.455 1.119 1.00 0.00 H new ATOM 0 HA ASN A 36 67.941 -5.892 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 36 66.631 -4.826 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 36 67.947 -3.704 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 36 68.965 -3.830 -2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 36 68.875 -2.927 -0.999 1.00 0.00 H new ATOM 585 N ARG A 37 69.325 -7.307 -0.333 1.00 0.00 N ATOM 586 CA ARG A 37 69.335 -8.591 -1.084 1.00 0.00 C ATOM 587 C ARG A 37 70.096 -9.649 -0.295 1.00 0.00 C ATOM 588 O ARG A 37 70.388 -10.723 -0.780 1.00 0.00 O ATOM 589 CB ARG A 37 69.992 -8.389 -2.448 1.00 0.00 C ATOM 590 CG ARG A 37 68.932 -8.479 -3.548 1.00 0.00 C ATOM 591 CD ARG A 37 69.383 -7.662 -4.761 1.00 0.00 C ATOM 592 NE ARG A 37 68.191 -7.080 -5.440 1.00 0.00 N ATOM 593 CZ ARG A 37 68.169 -5.811 -5.745 1.00 0.00 C ATOM 594 NH1 ARG A 37 69.145 -5.289 -6.436 1.00 0.00 N ATOM 595 NH2 ARG A 37 67.170 -5.065 -5.360 1.00 0.00 N ATOM 0 H ARG A 37 70.055 -6.644 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 37 68.308 -8.926 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 37 70.486 -7.418 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.761 -9.145 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.777 -9.519 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.977 -8.105 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 37 70.059 -6.867 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.936 -8.296 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 37 67.393 -7.673 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 37 69.925 -5.873 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 37 69.128 -4.297 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.407 -5.474 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.153 -4.073 -5.598 1.00 0.00 H new ATOM 609 N LEU A 38 70.403 -9.345 0.922 1.00 0.00 N ATOM 610 CA LEU A 38 71.130 -10.306 1.784 1.00 0.00 C ATOM 611 C LEU A 38 70.116 -11.148 2.557 1.00 0.00 C ATOM 612 O LEU A 38 70.266 -12.344 2.708 1.00 0.00 O ATOM 613 CB LEU A 38 72.016 -9.540 2.770 1.00 0.00 C ATOM 614 CG LEU A 38 72.752 -10.532 3.668 1.00 0.00 C ATOM 615 CD1 LEU A 38 74.026 -11.006 2.968 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.119 -9.848 4.987 1.00 0.00 C ATOM 0 H LEU A 38 70.178 -8.455 1.368 1.00 0.00 H new ATOM 0 HA LEU A 38 71.754 -10.954 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.732 -8.923 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.408 -8.867 3.375 1.00 0.00 H new ATOM 0 HG LEU A 38 72.108 -11.388 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.551 -11.714 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.765 -11.492 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 74.671 -10.150 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 73.644 -10.555 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.763 -8.992 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 38 72.211 -9.510 5.486 1.00 0.00 H new ATOM 628 N SER A 39 69.082 -10.522 3.049 1.00 0.00 N ATOM 629 CA SER A 39 68.046 -11.267 3.817 1.00 0.00 C ATOM 630 C SER A 39 67.240 -12.153 2.866 1.00 0.00 C ATOM 631 O SER A 39 66.640 -13.129 3.271 1.00 0.00 O ATOM 632 CB SER A 39 67.111 -10.268 4.501 1.00 0.00 C ATOM 633 OG SER A 39 66.089 -10.976 5.190 1.00 0.00 O ATOM 0 H SER A 39 68.910 -9.521 2.951 1.00 0.00 H new ATOM 0 HA SER A 39 68.528 -11.892 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.672 -9.646 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.671 -9.599 3.761 1.00 0.00 H new ATOM 0 HG SER A 39 65.489 -10.338 5.631 1.00 0.00 H new ATOM 639 N GLU A 40 67.216 -11.819 1.605 1.00 0.00 N ATOM 640 CA GLU A 40 66.446 -12.639 0.633 1.00 0.00 C ATOM 641 C GLU A 40 67.345 -13.716 0.043 1.00 0.00 C ATOM 642 O GLU A 40 67.081 -14.266 -1.009 1.00 0.00 O ATOM 643 CB GLU A 40 65.926 -11.746 -0.485 1.00 0.00 C ATOM 644 CG GLU A 40 64.399 -11.674 -0.417 1.00 0.00 C ATOM 645 CD GLU A 40 63.873 -10.844 -1.588 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.686 -10.347 -2.350 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.665 -10.718 -1.705 1.00 0.00 O ATOM 0 H GLU A 40 67.697 -11.013 1.207 1.00 0.00 H new ATOM 0 HA GLU A 40 65.607 -13.110 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.352 -10.747 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.239 -12.138 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.976 -12.678 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.087 -11.228 0.527 1.00 0.00 H new ATOM 654 N HIS A 41 68.401 -14.012 0.719 1.00 0.00 N ATOM 655 CA HIS A 41 69.345 -15.050 0.233 1.00 0.00 C ATOM 656 C HIS A 41 68.921 -16.417 0.770 1.00 0.00 C ATOM 657 O HIS A 41 68.386 -17.239 0.054 1.00 0.00 O ATOM 658 CB HIS A 41 70.759 -14.725 0.720 1.00 0.00 C ATOM 659 CG HIS A 41 71.537 -14.080 -0.394 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.694 -13.353 -0.162 1.00 0.00 N ATOM 661 CD2 HIS A 41 71.336 -14.041 -1.751 1.00 0.00 C ATOM 662 CE1 HIS A 41 73.142 -12.913 -1.352 1.00 0.00 C ATOM 663 NE2 HIS A 41 72.351 -13.304 -2.355 1.00 0.00 N ATOM 0 H HIS A 41 68.661 -13.576 1.603 1.00 0.00 H new ATOM 0 HA HIS A 41 69.333 -15.069 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.714 -14.058 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.260 -15.635 1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.515 -14.511 -2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.033 -12.316 -1.481 1.00 0.00 H new ATOM 0 HE2 HIS A 41 72.466 -13.105 -3.349 1.00 0.00 H new ATOM 671 N LEU A 42 69.162 -16.663 2.026 1.00 0.00 N ATOM 672 CA LEU A 42 68.785 -17.970 2.624 1.00 0.00 C ATOM 673 C LEU A 42 67.260 -18.075 2.732 1.00 0.00 C ATOM 674 O LEU A 42 66.728 -19.090 3.134 1.00 0.00 O ATOM 675 CB LEU A 42 69.397 -18.066 4.020 1.00 0.00 C ATOM 676 CG LEU A 42 70.886 -17.728 3.950 1.00 0.00 C ATOM 677 CD1 LEU A 42 71.338 -17.130 5.284 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.686 -19.003 3.669 1.00 0.00 C ATOM 0 H LEU A 42 69.608 -16.008 2.669 1.00 0.00 H new ATOM 0 HA LEU A 42 69.154 -18.780 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.889 -17.381 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.260 -19.071 4.420 1.00 0.00 H new ATOM 0 HG LEU A 42 71.056 -17.006 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 42 72.400 -16.889 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.769 -16.223 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.167 -17.852 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.748 -18.763 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 42 71.514 -19.724 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.366 -19.432 2.719 1.00 0.00 H new ATOM 690 N LYS A 43 66.550 -17.036 2.375 1.00 0.00 N ATOM 691 CA LYS A 43 65.062 -17.083 2.458 1.00 0.00 C ATOM 692 C LYS A 43 64.487 -17.705 1.188 1.00 0.00 C ATOM 693 O LYS A 43 63.320 -17.570 0.877 1.00 0.00 O ATOM 694 CB LYS A 43 64.517 -15.668 2.619 1.00 0.00 C ATOM 695 CG LYS A 43 64.041 -15.462 4.058 1.00 0.00 C ATOM 696 CD LYS A 43 62.711 -14.705 4.053 1.00 0.00 C ATOM 697 CE LYS A 43 61.592 -15.635 4.528 1.00 0.00 C ATOM 698 NZ LYS A 43 61.476 -16.790 3.594 1.00 0.00 N ATOM 0 H LYS A 43 66.937 -16.158 2.030 1.00 0.00 H new ATOM 0 HA LYS A 43 64.772 -17.689 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.290 -14.940 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.692 -15.504 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.921 -16.425 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 43 64.787 -14.903 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 43 62.774 -13.833 4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.493 -14.339 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 43 61.803 -15.989 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 43 60.648 -15.092 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.521 -17.197 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.646 -16.467 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 62.180 -17.513 3.847 1.00 0.00 H new ATOM 712 N VAL A 44 65.310 -18.388 0.468 1.00 0.00 N ATOM 713 CA VAL A 44 64.876 -19.049 -0.787 1.00 0.00 C ATOM 714 C VAL A 44 65.896 -20.138 -1.127 1.00 0.00 C ATOM 715 O VAL A 44 65.553 -21.219 -1.560 1.00 0.00 O ATOM 716 CB VAL A 44 64.824 -18.012 -1.908 1.00 0.00 C ATOM 717 CG1 VAL A 44 64.791 -18.717 -3.267 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.568 -17.154 -1.752 1.00 0.00 C ATOM 0 H VAL A 44 66.294 -18.523 0.699 1.00 0.00 H new ATOM 0 HA VAL A 44 63.886 -19.490 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 44 65.710 -17.379 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 44 64.754 -17.973 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.687 -19.327 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 44 63.908 -19.354 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.531 -16.414 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.684 -17.790 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.592 -16.645 -0.788 1.00 0.00 H new ATOM 728 N HIS A 45 67.152 -19.851 -0.918 1.00 0.00 N ATOM 729 CA HIS A 45 68.217 -20.848 -1.205 1.00 0.00 C ATOM 730 C HIS A 45 67.839 -22.196 -0.587 1.00 0.00 C ATOM 731 O HIS A 45 67.348 -23.082 -1.259 1.00 0.00 O ATOM 732 CB HIS A 45 69.527 -20.352 -0.591 1.00 0.00 C ATOM 733 CG HIS A 45 70.278 -19.531 -1.603 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.911 -18.345 -1.270 1.00 0.00 N ATOM 735 CD2 HIS A 45 70.501 -19.712 -2.946 1.00 0.00 C ATOM 736 CE1 HIS A 45 71.482 -17.862 -2.389 1.00 0.00 C ATOM 737 NE2 HIS A 45 71.262 -18.657 -3.439 1.00 0.00 N ATOM 0 H HIS A 45 67.487 -18.958 -0.557 1.00 0.00 H new ATOM 0 HA HIS A 45 68.332 -20.971 -2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.321 -19.754 0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.134 -21.199 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 45 70.141 -20.546 -3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.049 -16.944 -2.432 1.00 0.00 H new ATOM 0 HE2 HIS A 45 71.583 -18.520 -4.397 1.00 0.00 H new ATOM 745 N LYS A 46 68.065 -22.358 0.688 1.00 0.00 N ATOM 746 CA LYS A 46 67.719 -23.648 1.347 1.00 0.00 C ATOM 747 C LYS A 46 68.446 -24.794 0.639 1.00 0.00 C ATOM 748 O LYS A 46 67.875 -25.835 0.378 1.00 0.00 O ATOM 749 CB LYS A 46 66.209 -23.874 1.264 1.00 0.00 C ATOM 750 CG LYS A 46 65.526 -23.199 2.455 1.00 0.00 C ATOM 751 CD LYS A 46 66.107 -23.752 3.758 1.00 0.00 C ATOM 752 CE LYS A 46 65.023 -23.757 4.837 1.00 0.00 C ATOM 753 NZ LYS A 46 63.799 -24.419 4.307 1.00 0.00 N ATOM 0 H LYS A 46 68.474 -21.653 1.301 1.00 0.00 H new ATOM 0 HA LYS A 46 68.025 -23.615 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.821 -23.468 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.990 -24.942 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.673 -22.120 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.451 -23.376 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 46 66.484 -24.763 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 46 66.952 -23.143 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 46 65.379 -24.283 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 46 64.794 -22.736 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 63.277 -24.861 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.194 -23.711 3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 64.070 -25.148 3.616 1.00 0.00 H new ATOM 767 N LYS A 47 69.699 -24.612 0.326 1.00 0.00 N ATOM 768 CA LYS A 47 70.459 -25.688 -0.361 1.00 0.00 C ATOM 769 C LYS A 47 71.956 -25.434 -0.212 1.00 0.00 C ATOM 770 O LYS A 47 72.626 -26.045 0.596 1.00 0.00 O ATOM 771 CB LYS A 47 70.089 -25.705 -1.846 1.00 0.00 C ATOM 772 CG LYS A 47 68.692 -26.300 -2.018 1.00 0.00 C ATOM 773 CD LYS A 47 68.571 -26.919 -3.412 1.00 0.00 C ATOM 774 CE LYS A 47 68.136 -28.381 -3.286 1.00 0.00 C ATOM 775 NZ LYS A 47 68.963 -29.224 -4.195 1.00 0.00 N ATOM 0 H LYS A 47 70.229 -23.762 0.518 1.00 0.00 H new ATOM 0 HA LYS A 47 70.210 -26.650 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 47 70.117 -24.693 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.817 -26.292 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 47 68.511 -27.057 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.936 -25.526 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 47 67.846 -26.363 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 69.526 -26.856 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 68.250 -28.718 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 67.081 -28.481 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.668 -30.218 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 68.833 -28.907 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 69.966 -29.137 -3.933 1.00 0.00 H new ATOM 789 N ASP A 48 72.482 -24.537 -0.989 1.00 0.00 N ATOM 790 CA ASP A 48 73.938 -24.233 -0.905 1.00 0.00 C ATOM 791 C ASP A 48 74.313 -23.946 0.550 1.00 0.00 C ATOM 792 O ASP A 48 75.091 -24.658 1.153 1.00 0.00 O ATOM 793 CB ASP A 48 74.257 -23.008 -1.765 1.00 0.00 C ATOM 794 CG ASP A 48 75.231 -23.403 -2.876 1.00 0.00 C ATOM 795 OD1 ASP A 48 74.876 -24.258 -3.671 1.00 0.00 O ATOM 796 OD2 ASP A 48 76.315 -22.845 -2.913 1.00 0.00 O ATOM 0 H ASP A 48 71.967 -23.996 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 48 74.509 -25.088 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.341 -22.605 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 48 74.692 -22.221 -1.149 1.00 0.00 H new ATOM 801 N HIS A 49 73.764 -22.908 1.119 1.00 0.00 N ATOM 802 CA HIS A 49 74.087 -22.576 2.534 1.00 0.00 C ATOM 803 C HIS A 49 75.567 -22.206 2.648 1.00 0.00 C ATOM 804 O HIS A 49 76.343 -22.896 3.280 1.00 0.00 O ATOM 805 CB HIS A 49 73.796 -23.789 3.420 1.00 0.00 C ATOM 806 CG HIS A 49 73.933 -23.398 4.865 1.00 0.00 C ATOM 807 ND1 HIS A 49 74.935 -23.906 5.677 1.00 0.00 N ATOM 808 CD2 HIS A 49 73.205 -22.546 5.658 1.00 0.00 C ATOM 809 CE1 HIS A 49 74.782 -23.363 6.898 1.00 0.00 C ATOM 810 NE2 HIS A 49 73.743 -22.525 6.941 1.00 0.00 N ATOM 0 H HIS A 49 73.105 -22.276 0.664 1.00 0.00 H new ATOM 0 HA HIS A 49 73.477 -21.733 2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 49 72.790 -24.161 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 49 74.486 -24.599 3.184 1.00 0.00 H new ATOM 0 HD2 HIS A 49 72.345 -21.978 5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 49 75.422 -23.578 7.741 1.00 0.00 H new ATOM 0 HE2 HIS A 49 73.415 -21.986 7.742 1.00 0.00 H new ATOM 818 N HIS A 50 75.966 -21.119 2.046 1.00 0.00 N ATOM 819 CA HIS A 50 77.396 -20.705 2.124 1.00 0.00 C ATOM 820 C HIS A 50 77.485 -19.187 2.098 1.00 0.00 C ATOM 821 O HIS A 50 78.501 -18.608 1.769 1.00 0.00 O ATOM 822 CB HIS A 50 78.154 -21.275 0.933 1.00 0.00 C ATOM 823 CG HIS A 50 79.100 -22.348 1.400 1.00 0.00 C ATOM 824 ND1 HIS A 50 78.665 -23.619 1.738 1.00 0.00 N ATOM 825 CD2 HIS A 50 80.460 -22.353 1.589 1.00 0.00 C ATOM 826 CE1 HIS A 50 79.745 -24.331 2.110 1.00 0.00 C ATOM 827 NE2 HIS A 50 80.865 -23.607 2.038 1.00 0.00 N ATOM 0 H HIS A 50 75.364 -20.500 1.504 1.00 0.00 H new ATOM 0 HA HIS A 50 77.833 -21.081 3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 50 77.453 -21.686 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 50 78.708 -20.483 0.429 1.00 0.00 H new ATOM 0 HD1 HIS A 50 77.702 -23.954 1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 50 81.116 -21.512 1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 50 79.710 -25.363 2.428 1.00 0.00 H new ATOM 835 N SER A 51 76.419 -18.549 2.447 1.00 0.00 N ATOM 836 CA SER A 51 76.395 -17.062 2.458 1.00 0.00 C ATOM 837 C SER A 51 77.261 -16.545 3.608 1.00 0.00 C ATOM 838 O SER A 51 77.165 -17.010 4.727 1.00 0.00 O ATOM 839 CB SER A 51 74.958 -16.577 2.645 1.00 0.00 C ATOM 840 OG SER A 51 74.193 -17.601 3.267 1.00 0.00 O ATOM 0 H SER A 51 75.546 -18.995 2.731 1.00 0.00 H new ATOM 0 HA SER A 51 76.786 -16.686 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 51 74.943 -15.674 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 51 74.522 -16.316 1.681 1.00 0.00 H new ATOM 0 HG SER A 51 74.241 -17.499 4.241 1.00 0.00 H new ATOM 846 N HIS A 52 78.103 -15.582 3.345 1.00 0.00 N ATOM 847 CA HIS A 52 78.971 -15.032 4.424 1.00 0.00 C ATOM 848 C HIS A 52 79.988 -14.066 3.816 1.00 0.00 C ATOM 849 O HIS A 52 80.374 -13.089 4.427 1.00 0.00 O ATOM 850 CB HIS A 52 79.710 -16.176 5.122 1.00 0.00 C ATOM 851 CG HIS A 52 80.757 -15.610 6.042 1.00 0.00 C ATOM 852 ND1 HIS A 52 80.614 -14.375 6.654 1.00 0.00 N ATOM 853 CD2 HIS A 52 81.967 -16.100 6.466 1.00 0.00 C ATOM 854 CE1 HIS A 52 81.710 -14.165 7.405 1.00 0.00 C ATOM 855 NE2 HIS A 52 82.568 -15.186 7.327 1.00 0.00 N ATOM 0 H HIS A 52 78.227 -15.152 2.428 1.00 0.00 H new ATOM 0 HA HIS A 52 78.354 -14.503 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 52 79.006 -16.787 5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 52 80.175 -16.828 4.382 1.00 0.00 H new ATOM 0 HD1 HIS A 52 79.822 -13.741 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 52 82.389 -17.051 6.176 1.00 0.00 H new ATOM 0 HE1 HIS A 52 81.876 -13.278 7.999 1.00 0.00 H new ATOM 863 N ARG A 53 80.425 -14.332 2.617 1.00 0.00 N ATOM 864 CA ARG A 53 81.417 -13.432 1.967 1.00 0.00 C ATOM 865 C ARG A 53 80.889 -11.996 1.976 1.00 0.00 C ATOM 866 O ARG A 53 81.643 -11.047 1.898 1.00 0.00 O ATOM 867 CB ARG A 53 81.644 -13.883 0.523 1.00 0.00 C ATOM 868 CG ARG A 53 80.326 -13.801 -0.249 1.00 0.00 C ATOM 869 CD ARG A 53 79.940 -15.194 -0.752 1.00 0.00 C ATOM 870 NE ARG A 53 78.674 -15.106 -1.534 1.00 0.00 N ATOM 871 CZ ARG A 53 78.567 -15.732 -2.674 1.00 0.00 C ATOM 872 NH1 ARG A 53 79.129 -16.899 -2.832 1.00 0.00 N ATOM 873 NH2 ARG A 53 77.895 -15.193 -3.653 1.00 0.00 N ATOM 0 H ARG A 53 80.137 -15.135 2.058 1.00 0.00 H new ATOM 0 HA ARG A 53 82.359 -13.475 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 53 82.396 -13.253 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.026 -14.904 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 53 79.540 -13.404 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 53 80.427 -13.114 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 80.737 -15.602 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 53 79.813 -15.874 0.090 1.00 0.00 H new ATOM 0 HE ARG A 53 77.892 -14.557 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 53 79.652 -17.321 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 53 79.046 -17.389 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 53 77.453 -14.282 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 53 77.811 -15.682 -4.544 1.00 0.00 H new ATOM 887 N GLY A 54 79.598 -11.827 2.067 1.00 0.00 N ATOM 888 CA GLY A 54 79.025 -10.451 2.079 1.00 0.00 C ATOM 889 C GLY A 54 77.808 -10.407 3.005 1.00 0.00 C ATOM 890 O GLY A 54 76.877 -9.656 2.787 1.00 0.00 O ATOM 0 H GLY A 54 78.915 -12.582 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 54 79.776 -9.737 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 78.737 -10.158 1.070 1.00 0.00 H new ATOM 894 N LEU A 55 77.805 -11.204 4.039 1.00 0.00 N ATOM 895 CA LEU A 55 76.648 -11.208 4.978 1.00 0.00 C ATOM 896 C LEU A 55 76.446 -9.805 5.550 1.00 0.00 C ATOM 897 O LEU A 55 76.850 -8.821 4.964 1.00 0.00 O ATOM 898 CB LEU A 55 76.916 -12.193 6.116 1.00 0.00 C ATOM 899 CG LEU A 55 75.770 -13.203 6.189 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.448 -12.464 6.409 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.698 -13.985 4.877 1.00 0.00 C ATOM 0 H LEU A 55 78.556 -11.854 4.274 1.00 0.00 H new ATOM 0 HA LEU A 55 75.749 -11.511 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 55 77.861 -12.709 5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 55 77.006 -11.658 7.062 1.00 0.00 H new ATOM 0 HG LEU A 55 75.946 -13.890 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 55 73.632 -13.185 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.496 -11.903 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 55 74.273 -11.777 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.882 -14.706 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.523 -13.295 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.638 -14.513 4.716 1.00 0.00 H new ATOM 913 N LEU A 56 75.821 -9.712 6.691 1.00 0.00 N ATOM 914 CA LEU A 56 75.584 -8.384 7.313 1.00 0.00 C ATOM 915 C LEU A 56 76.831 -7.520 7.162 1.00 0.00 C ATOM 916 O LEU A 56 76.969 -6.770 6.217 1.00 0.00 O ATOM 917 CB LEU A 56 75.270 -8.578 8.796 1.00 0.00 C ATOM 918 CG LEU A 56 73.766 -8.786 8.975 1.00 0.00 C ATOM 919 CD1 LEU A 56 73.523 -9.973 9.910 1.00 0.00 C ATOM 920 CD2 LEU A 56 73.147 -7.525 9.581 1.00 0.00 C ATOM 0 H LEU A 56 75.463 -10.506 7.221 1.00 0.00 H new ATOM 0 HA LEU A 56 74.746 -7.891 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 56 75.816 -9.438 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 56 75.598 -7.708 9.365 1.00 0.00 H new ATOM 0 HG LEU A 56 73.308 -8.987 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 72.451 -10.122 10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 56 73.965 -10.872 9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 56 73.980 -9.772 10.879 1.00 0.00 H new ATOM 0 HD21 LEU A 56 72.075 -7.672 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 56 73.604 -7.325 10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.321 -6.679 8.916 1.00 0.00 H new ATOM 932 N MET A 57 77.739 -7.626 8.086 1.00 0.00 N ATOM 933 CA MET A 57 78.988 -6.814 8.007 1.00 0.00 C ATOM 934 C MET A 57 78.626 -5.350 7.752 1.00 0.00 C ATOM 935 O MET A 57 78.426 -4.582 8.672 1.00 0.00 O ATOM 936 CB MET A 57 79.860 -7.331 6.860 1.00 0.00 C ATOM 937 CG MET A 57 80.692 -8.518 7.349 1.00 0.00 C ATOM 938 SD MET A 57 82.153 -8.706 6.298 1.00 0.00 S ATOM 939 CE MET A 57 81.330 -8.422 4.711 1.00 0.00 C ATOM 0 H MET A 57 77.673 -8.241 8.897 1.00 0.00 H new ATOM 0 HA MET A 57 79.536 -6.896 8.945 1.00 0.00 H new ATOM 0 HB2 MET A 57 79.234 -7.633 6.020 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.515 -6.537 6.500 1.00 0.00 H new ATOM 0 HG2 MET A 57 80.994 -8.362 8.385 1.00 0.00 H new ATOM 0 HG3 MET A 57 80.094 -9.429 7.325 1.00 0.00 H new ATOM 0 HE1 MET A 57 81.950 -8.814 3.904 1.00 0.00 H new ATOM 0 HE2 MET A 57 80.365 -8.929 4.706 1.00 0.00 H new ATOM 0 HE3 MET A 57 81.179 -7.352 4.566 1.00 0.00 H new ATOM 949 N MET A 58 78.533 -4.959 6.511 1.00 0.00 N ATOM 950 CA MET A 58 78.178 -3.548 6.198 1.00 0.00 C ATOM 951 C MET A 58 77.001 -3.123 7.078 1.00 0.00 C ATOM 952 O MET A 58 76.874 -1.975 7.454 1.00 0.00 O ATOM 953 CB MET A 58 77.776 -3.435 4.725 1.00 0.00 C ATOM 954 CG MET A 58 78.736 -4.260 3.864 1.00 0.00 C ATOM 955 SD MET A 58 77.948 -5.825 3.404 1.00 0.00 S ATOM 956 CE MET A 58 76.435 -5.127 2.697 1.00 0.00 C ATOM 0 H MET A 58 78.688 -5.557 5.700 1.00 0.00 H new ATOM 0 HA MET A 58 79.036 -2.903 6.389 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.754 -3.789 4.589 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.796 -2.391 4.411 1.00 0.00 H new ATOM 0 HG2 MET A 58 79.009 -3.702 2.969 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.658 -4.453 4.412 1.00 0.00 H new ATOM 0 HE1 MET A 58 76.240 -5.588 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.597 -5.321 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.556 -4.051 2.569 1.00 0.00 H new ATOM 966 N VAL A 59 76.139 -4.046 7.409 1.00 0.00 N ATOM 967 CA VAL A 59 74.969 -3.707 8.264 1.00 0.00 C ATOM 968 C VAL A 59 75.459 -3.180 9.614 1.00 0.00 C ATOM 969 O VAL A 59 75.035 -2.140 10.078 1.00 0.00 O ATOM 970 CB VAL A 59 74.117 -4.958 8.483 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.961 -4.633 9.430 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.555 -5.431 7.140 1.00 0.00 C ATOM 0 H VAL A 59 76.196 -5.023 7.122 1.00 0.00 H new ATOM 0 HA VAL A 59 74.369 -2.941 7.772 1.00 0.00 H new ATOM 0 HB VAL A 59 74.733 -5.744 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.355 -5.526 9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.359 -4.294 10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.344 -3.847 8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.947 -6.323 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.940 -4.643 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.377 -5.664 6.463 1.00 0.00 H new ATOM 982 N GLY A 60 76.350 -3.891 10.248 1.00 0.00 N ATOM 983 CA GLY A 60 76.868 -3.431 11.568 1.00 0.00 C ATOM 984 C GLY A 60 77.728 -2.182 11.373 1.00 0.00 C ATOM 985 O GLY A 60 77.878 -1.373 12.268 1.00 0.00 O ATOM 0 H GLY A 60 76.742 -4.770 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.038 -3.212 12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 60 77.456 -4.221 12.035 1.00 0.00 H new ATOM 989 N GLN A 61 78.297 -2.017 10.210 1.00 0.00 N ATOM 990 CA GLN A 61 79.147 -0.824 9.961 1.00 0.00 C ATOM 991 C GLN A 61 78.300 0.299 9.381 1.00 0.00 C ATOM 992 O GLN A 61 78.796 1.228 8.775 1.00 0.00 O ATOM 993 CB GLN A 61 80.252 -1.184 8.977 1.00 0.00 C ATOM 994 CG GLN A 61 81.606 -1.142 9.687 1.00 0.00 C ATOM 995 CD GLN A 61 82.427 -2.372 9.295 1.00 0.00 C ATOM 996 OE1 GLN A 61 82.489 -3.336 10.033 1.00 0.00 O ATOM 997 NE2 GLN A 61 83.064 -2.380 8.157 1.00 0.00 N ATOM 0 H GLN A 61 78.208 -2.659 9.422 1.00 0.00 H new ATOM 0 HA GLN A 61 79.588 -0.494 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 61 80.077 -2.178 8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 61 80.248 -0.487 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 61 82.142 -0.232 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.461 -1.117 10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 61 83.012 -1.571 7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 61 83.614 -3.195 7.886 1.00 0.00 H new ATOM 1006 N ARG A 62 77.028 0.212 9.570 1.00 0.00 N ATOM 1007 CA ARG A 62 76.113 1.264 9.045 1.00 0.00 C ATOM 1008 C ARG A 62 75.302 1.862 10.196 1.00 0.00 C ATOM 1009 O ARG A 62 74.783 2.956 10.101 1.00 0.00 O ATOM 1010 CB ARG A 62 75.161 0.655 8.015 1.00 0.00 C ATOM 1011 CG ARG A 62 74.412 1.776 7.289 1.00 0.00 C ATOM 1012 CD ARG A 62 73.222 1.193 6.522 1.00 0.00 C ATOM 1013 NE ARG A 62 72.624 0.076 7.304 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.483 0.243 7.915 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.526 0.917 7.337 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.297 -0.265 9.102 1.00 0.00 N ATOM 0 H ARG A 62 76.568 -0.548 10.071 1.00 0.00 H new ATOM 0 HA ARG A 62 76.704 2.048 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.720 0.053 7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.453 -0.011 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.065 2.518 8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.084 2.289 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.475 1.967 6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.546 0.834 5.545 1.00 0.00 H new ATOM 0 HE ARG A 62 73.107 -0.821 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.670 1.313 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.634 1.048 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.044 -0.793 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.405 -0.134 9.579 1.00 0.00 H new ATOM 1030 N ARG A 63 75.193 1.154 11.285 1.00 0.00 N ATOM 1031 CA ARG A 63 74.419 1.685 12.442 1.00 0.00 C ATOM 1032 C ARG A 63 74.888 3.108 12.742 1.00 0.00 C ATOM 1033 O ARG A 63 74.110 3.965 13.114 1.00 0.00 O ATOM 1034 CB ARG A 63 74.658 0.798 13.666 1.00 0.00 C ATOM 1035 CG ARG A 63 73.753 1.255 14.812 1.00 0.00 C ATOM 1036 CD ARG A 63 72.476 0.415 14.819 1.00 0.00 C ATOM 1037 NE ARG A 63 72.656 -0.756 15.724 1.00 0.00 N ATOM 1038 CZ ARG A 63 71.884 -1.800 15.600 1.00 0.00 C ATOM 1039 NH1 ARG A 63 71.929 -2.520 14.512 1.00 0.00 N ATOM 1040 NH2 ARG A 63 71.066 -2.125 16.563 1.00 0.00 N ATOM 0 H ARG A 63 75.606 0.232 11.424 1.00 0.00 H new ATOM 0 HA ARG A 63 73.355 1.690 12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.452 -0.244 13.419 1.00 0.00 H new ATOM 0 HB3 ARG A 63 75.703 0.853 13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.274 1.152 15.764 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.506 2.310 14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 63 71.632 1.019 15.152 1.00 0.00 H new ATOM 0 HD3 ARG A 63 72.246 0.076 13.809 1.00 0.00 H new ATOM 0 HE ARG A 63 73.383 -0.741 16.440 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.568 -2.266 13.759 1.00 0.00 H new ATOM 0 HH12 ARG A 63 71.325 -3.336 14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 63 71.030 -1.563 17.413 1.00 0.00 H new ATOM 0 HH22 ARG A 63 70.462 -2.941 16.466 1.00 0.00 H new ATOM 1054 N ARG A 64 76.155 3.366 12.577 1.00 0.00 N ATOM 1055 CA ARG A 64 76.683 4.726 12.844 1.00 0.00 C ATOM 1056 C ARG A 64 77.335 5.279 11.574 1.00 0.00 C ATOM 1057 O ARG A 64 77.479 6.474 11.410 1.00 0.00 O ATOM 1058 CB ARG A 64 77.721 4.661 13.965 1.00 0.00 C ATOM 1059 CG ARG A 64 77.046 4.965 15.304 1.00 0.00 C ATOM 1060 CD ARG A 64 76.866 6.477 15.454 1.00 0.00 C ATOM 1061 NE ARG A 64 75.440 6.834 15.211 1.00 0.00 N ATOM 1062 CZ ARG A 64 74.614 6.945 16.215 1.00 0.00 C ATOM 1063 NH1 ARG A 64 74.731 7.941 17.049 1.00 0.00 N ATOM 1064 NH2 ARG A 64 73.670 6.059 16.385 1.00 0.00 N ATOM 0 H ARG A 64 76.849 2.686 12.266 1.00 0.00 H new ATOM 0 HA ARG A 64 75.865 5.380 13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 64 78.180 3.673 13.993 1.00 0.00 H new ATOM 0 HB3 ARG A 64 78.520 5.378 13.777 1.00 0.00 H new ATOM 0 HG2 ARG A 64 76.078 4.466 15.357 1.00 0.00 H new ATOM 0 HG3 ARG A 64 77.650 4.577 16.124 1.00 0.00 H new ATOM 0 HD2 ARG A 64 77.166 6.792 16.453 1.00 0.00 H new ATOM 0 HD3 ARG A 64 77.509 7.002 14.748 1.00 0.00 H new ATOM 0 HE ARG A 64 75.109 6.992 14.259 1.00 0.00 H new ATOM 0 HH11 ARG A 64 75.468 8.633 16.916 1.00 0.00 H new ATOM 0 HH12 ARG A 64 74.085 8.028 17.834 1.00 0.00 H new ATOM 0 HH21 ARG A 64 73.578 5.280 15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 64 73.024 6.146 17.170 1.00 0.00 H new ATOM 1078 N LEU A 65 77.730 4.419 10.675 1.00 0.00 N ATOM 1079 CA LEU A 65 78.372 4.899 9.419 1.00 0.00 C ATOM 1080 C LEU A 65 79.392 5.986 9.757 1.00 0.00 C ATOM 1081 O LEU A 65 79.685 6.849 8.953 1.00 0.00 O ATOM 1082 CB LEU A 65 77.302 5.472 8.487 1.00 0.00 C ATOM 1083 CG LEU A 65 77.913 5.738 7.110 1.00 0.00 C ATOM 1084 CD1 LEU A 65 77.649 4.543 6.194 1.00 0.00 C ATOM 1085 CD2 LEU A 65 77.276 6.992 6.505 1.00 0.00 C ATOM 0 H LEU A 65 77.636 3.407 10.756 1.00 0.00 H new ATOM 0 HA LEU A 65 78.875 4.069 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 65 76.470 4.773 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 65 76.900 6.396 8.903 1.00 0.00 H new ATOM 0 HG LEU A 65 78.988 5.887 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 65 78.085 4.733 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 65 78.100 3.648 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 65 76.574 4.394 6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 77.710 7.183 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 65 76.201 6.841 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 65 77.463 7.845 7.157 1.00 0.00 H new ATOM 1097 N LEU A 66 79.929 5.956 10.945 1.00 0.00 N ATOM 1098 CA LEU A 66 80.922 6.986 11.341 1.00 0.00 C ATOM 1099 C LEU A 66 82.338 6.483 11.045 1.00 0.00 C ATOM 1100 O LEU A 66 83.288 7.241 11.046 1.00 0.00 O ATOM 1101 CB LEU A 66 80.785 7.277 12.837 1.00 0.00 C ATOM 1102 CG LEU A 66 81.366 8.659 13.143 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.378 9.450 14.001 1.00 0.00 C ATOM 1104 CD2 LEU A 66 82.685 8.500 13.902 1.00 0.00 C ATOM 0 H LEU A 66 79.720 5.259 11.659 1.00 0.00 H new ATOM 0 HA LEU A 66 80.740 7.899 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.736 7.238 13.131 1.00 0.00 H new ATOM 0 HB3 LEU A 66 81.307 6.515 13.416 1.00 0.00 H new ATOM 0 HG LEU A 66 81.544 9.192 12.209 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.792 10.434 14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 66 79.437 9.563 13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 66 80.199 8.917 14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 66 83.100 9.484 14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 66 82.506 7.966 14.835 1.00 0.00 H new ATOM 0 HD23 LEU A 66 83.390 7.936 13.292 1.00 0.00 H new ATOM 1116 N ARG A 67 82.490 5.210 10.801 1.00 0.00 N ATOM 1117 CA ARG A 67 83.842 4.664 10.515 1.00 0.00 C ATOM 1118 C ARG A 67 84.022 4.484 9.006 1.00 0.00 C ATOM 1119 O ARG A 67 84.754 3.624 8.558 1.00 0.00 O ATOM 1120 CB ARG A 67 84.004 3.310 11.213 1.00 0.00 C ATOM 1121 CG ARG A 67 85.378 2.724 10.883 1.00 0.00 C ATOM 1122 CD ARG A 67 85.823 1.792 12.011 1.00 0.00 C ATOM 1123 NE ARG A 67 86.392 0.544 11.429 1.00 0.00 N ATOM 1124 CZ ARG A 67 85.632 -0.503 11.260 1.00 0.00 C ATOM 1125 NH1 ARG A 67 85.183 -1.159 12.295 1.00 0.00 N ATOM 1126 NH2 ARG A 67 85.321 -0.897 10.055 1.00 0.00 N ATOM 0 H ARG A 67 81.734 4.526 10.788 1.00 0.00 H new ATOM 0 HA ARG A 67 84.595 5.359 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.898 3.430 12.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.219 2.627 10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.334 2.177 9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 67 86.105 3.526 10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 67 86.567 2.288 12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 67 84.977 1.553 12.655 1.00 0.00 H new ATOM 0 HE ARG A 67 87.376 0.508 11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 67 85.426 -0.853 13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 67 84.589 -1.977 12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.672 -0.386 9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 67 84.727 -1.716 9.924 1.00 0.00 H new ATOM 1140 N TYR A 68 83.366 5.287 8.215 1.00 0.00 N ATOM 1141 CA TYR A 68 83.508 5.155 6.744 1.00 0.00 C ATOM 1142 C TYR A 68 83.667 6.540 6.114 1.00 0.00 C ATOM 1143 O TYR A 68 84.763 6.977 5.822 1.00 0.00 O ATOM 1144 CB TYR A 68 82.268 4.469 6.167 1.00 0.00 C ATOM 1145 CG TYR A 68 82.591 3.029 5.847 1.00 0.00 C ATOM 1146 CD1 TYR A 68 83.493 2.727 4.820 1.00 0.00 C ATOM 1147 CD2 TYR A 68 81.989 1.997 6.577 1.00 0.00 C ATOM 1148 CE1 TYR A 68 83.794 1.392 4.523 1.00 0.00 C ATOM 1149 CE2 TYR A 68 82.290 0.662 6.280 1.00 0.00 C ATOM 1150 CZ TYR A 68 83.192 0.360 5.253 1.00 0.00 C ATOM 1151 OH TYR A 68 83.488 -0.956 4.961 1.00 0.00 O ATOM 0 H TYR A 68 82.738 6.028 8.527 1.00 0.00 H new ATOM 0 HA TYR A 68 84.390 4.555 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 68 81.447 4.518 6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 68 81.939 4.987 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 68 83.957 3.523 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 68 81.293 2.230 7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.490 1.159 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 68 81.826 -0.134 6.843 1.00 0.00 H new ATOM 0 HH TYR A 68 84.403 -1.016 4.614 1.00 0.00 H new ATOM 1161 N LEU A 69 82.583 7.230 5.896 1.00 0.00 N ATOM 1162 CA LEU A 69 82.669 8.579 5.281 1.00 0.00 C ATOM 1163 C LEU A 69 82.862 9.634 6.370 1.00 0.00 C ATOM 1164 O LEU A 69 83.667 10.534 6.238 1.00 0.00 O ATOM 1165 CB LEU A 69 81.381 8.871 4.508 1.00 0.00 C ATOM 1166 CG LEU A 69 81.727 9.507 3.162 1.00 0.00 C ATOM 1167 CD1 LEU A 69 80.449 10.016 2.494 1.00 0.00 C ATOM 1168 CD2 LEU A 69 82.686 10.678 3.384 1.00 0.00 C ATOM 0 H LEU A 69 81.639 6.915 6.119 1.00 0.00 H new ATOM 0 HA LEU A 69 83.518 8.609 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 80.820 7.949 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.742 9.540 5.085 1.00 0.00 H new ATOM 0 HG LEU A 69 82.201 8.764 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 80.696 10.470 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 69 79.764 9.183 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.975 10.759 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.934 11.132 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 69 82.211 11.420 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 69 83.597 10.317 3.860 1.00 0.00 H new ATOM 1180 N GLN A 70 82.131 9.534 7.445 1.00 0.00 N ATOM 1181 CA GLN A 70 82.280 10.537 8.534 1.00 0.00 C ATOM 1182 C GLN A 70 83.758 10.669 8.899 1.00 0.00 C ATOM 1183 O GLN A 70 84.224 11.723 9.287 1.00 0.00 O ATOM 1184 CB GLN A 70 81.496 10.074 9.763 1.00 0.00 C ATOM 1185 CG GLN A 70 81.578 11.147 10.851 1.00 0.00 C ATOM 1186 CD GLN A 70 82.900 11.008 11.607 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.559 9.990 11.521 1.00 0.00 O ATOM 1188 NE2 GLN A 70 83.319 11.995 12.352 1.00 0.00 N ATOM 0 H GLN A 70 81.440 8.804 7.616 1.00 0.00 H new ATOM 0 HA GLN A 70 81.896 11.500 8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.455 9.890 9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.902 9.133 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.505 12.139 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.740 11.045 11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.767 12.849 12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 70 84.199 11.912 12.861 1.00 0.00 H new ATOM 1197 N ARG A 71 84.492 9.601 8.781 1.00 0.00 N ATOM 1198 CA ARG A 71 85.940 9.638 9.123 1.00 0.00 C ATOM 1199 C ARG A 71 86.700 10.466 8.085 1.00 0.00 C ATOM 1200 O ARG A 71 87.621 11.189 8.409 1.00 0.00 O ATOM 1201 CB ARG A 71 86.493 8.211 9.141 1.00 0.00 C ATOM 1202 CG ARG A 71 86.849 7.816 10.575 1.00 0.00 C ATOM 1203 CD ARG A 71 87.746 8.889 11.193 1.00 0.00 C ATOM 1204 NE ARG A 71 88.895 8.238 11.884 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.473 8.833 12.892 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.857 10.077 12.783 1.00 0.00 N ATOM 1207 NH2 ARG A 71 89.668 8.186 14.007 1.00 0.00 N ATOM 0 H ARG A 71 84.149 8.696 8.460 1.00 0.00 H new ATOM 0 HA ARG A 71 86.066 10.094 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.755 7.519 8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.376 8.144 8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 71 85.941 7.701 11.167 1.00 0.00 H new ATOM 0 HG3 ARG A 71 87.359 6.853 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 71 88.109 9.565 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.176 9.491 11.900 1.00 0.00 H new ATOM 0 HE ARG A 71 89.230 7.327 11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.705 10.583 11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 71 90.309 10.542 13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 71 89.369 7.215 14.092 1.00 0.00 H new ATOM 0 HH22 ARG A 71 90.120 8.651 14.794 1.00 0.00 H new ATOM 1221 N GLU A 72 86.329 10.363 6.837 1.00 0.00 N ATOM 1222 CA GLU A 72 87.036 11.139 5.784 1.00 0.00 C ATOM 1223 C GLU A 72 86.397 12.512 5.628 1.00 0.00 C ATOM 1224 O GLU A 72 86.593 13.203 4.649 1.00 0.00 O ATOM 1225 CB GLU A 72 86.952 10.394 4.462 1.00 0.00 C ATOM 1226 CG GLU A 72 87.801 9.125 4.537 1.00 0.00 C ATOM 1227 CD GLU A 72 88.410 8.835 3.164 1.00 0.00 C ATOM 1228 OE1 GLU A 72 87.712 9.013 2.178 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.564 8.442 3.120 1.00 0.00 O ATOM 0 H GLU A 72 85.566 9.774 6.503 1.00 0.00 H new ATOM 0 HA GLU A 72 88.080 11.260 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 72 85.916 10.138 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.303 11.031 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.591 9.247 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.188 8.283 4.860 1.00 0.00 H new ATOM 1236 N ASP A 73 85.637 12.899 6.594 1.00 0.00 N ATOM 1237 CA ASP A 73 84.962 14.227 6.544 1.00 0.00 C ATOM 1238 C ASP A 73 83.805 14.243 7.548 1.00 0.00 C ATOM 1239 O ASP A 73 82.915 13.419 7.470 1.00 0.00 O ATOM 1240 CB ASP A 73 84.413 14.465 5.136 1.00 0.00 C ATOM 1241 CG ASP A 73 85.217 15.573 4.455 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.211 16.682 4.964 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.826 15.294 3.435 1.00 0.00 O ATOM 0 H ASP A 73 85.445 12.351 7.433 1.00 0.00 H new ATOM 0 HA ASP A 73 85.677 15.011 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.472 13.547 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.360 14.744 5.187 1.00 0.00 H new ATOM 1248 N PRO A 74 83.838 15.187 8.457 1.00 0.00 N ATOM 1249 CA PRO A 74 82.788 15.328 9.476 1.00 0.00 C ATOM 1250 C PRO A 74 81.554 15.959 8.841 1.00 0.00 C ATOM 1251 O PRO A 74 80.442 15.780 9.295 1.00 0.00 O ATOM 1252 CB PRO A 74 83.416 16.251 10.524 1.00 0.00 C ATOM 1253 CG PRO A 74 84.540 17.026 9.797 1.00 0.00 C ATOM 1254 CD PRO A 74 84.912 16.197 8.553 1.00 0.00 C ATOM 0 HA PRO A 74 82.465 14.383 9.913 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.674 16.936 10.935 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.816 15.676 11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 74 84.202 18.022 9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 74 85.404 17.157 10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.956 16.818 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.890 15.729 8.664 1.00 0.00 H new ATOM 1262 N GLU A 75 81.748 16.676 7.773 1.00 0.00 N ATOM 1263 CA GLU A 75 80.597 17.298 7.078 1.00 0.00 C ATOM 1264 C GLU A 75 79.951 16.234 6.199 1.00 0.00 C ATOM 1265 O GLU A 75 78.748 16.173 6.052 1.00 0.00 O ATOM 1266 CB GLU A 75 81.080 18.465 6.214 1.00 0.00 C ATOM 1267 CG GLU A 75 79.881 19.126 5.532 1.00 0.00 C ATOM 1268 CD GLU A 75 80.375 20.169 4.528 1.00 0.00 C ATOM 1269 OE1 GLU A 75 80.681 21.272 4.952 1.00 0.00 O ATOM 1270 OE2 GLU A 75 80.440 19.848 3.353 1.00 0.00 O ATOM 0 H GLU A 75 82.659 16.857 7.352 1.00 0.00 H new ATOM 0 HA GLU A 75 79.877 17.681 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.608 19.193 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.787 18.108 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 75 79.278 18.374 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.240 19.598 6.277 1.00 0.00 H new ATOM 1277 N ARG A 76 80.752 15.374 5.629 1.00 0.00 N ATOM 1278 CA ARG A 76 80.193 14.294 4.781 1.00 0.00 C ATOM 1279 C ARG A 76 79.313 13.407 5.657 1.00 0.00 C ATOM 1280 O ARG A 76 78.489 12.658 5.173 1.00 0.00 O ATOM 1281 CB ARG A 76 81.332 13.463 4.187 1.00 0.00 C ATOM 1282 CG ARG A 76 82.069 14.288 3.130 1.00 0.00 C ATOM 1283 CD ARG A 76 81.301 14.224 1.808 1.00 0.00 C ATOM 1284 NE ARG A 76 82.144 14.792 0.718 1.00 0.00 N ATOM 1285 CZ ARG A 76 81.581 15.374 -0.304 1.00 0.00 C ATOM 1286 NH1 ARG A 76 80.768 16.379 -0.117 1.00 0.00 N ATOM 1287 NH2 ARG A 76 81.829 14.954 -1.514 1.00 0.00 N ATOM 0 H ARG A 76 81.768 15.377 5.717 1.00 0.00 H new ATOM 0 HA ARG A 76 79.607 14.720 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.023 13.159 4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.936 12.551 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.161 15.323 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 76 83.081 13.905 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 76 81.037 13.192 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 76 80.368 14.782 1.889 1.00 0.00 H new ATOM 0 HE ARG A 76 83.160 14.726 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 76 80.574 16.709 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 76 80.328 16.834 -0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 76 82.464 14.169 -1.661 1.00 0.00 H new ATOM 0 HH22 ARG A 76 81.388 15.410 -2.313 1.00 0.00 H new ATOM 1301 N TYR A 77 79.483 13.491 6.952 1.00 0.00 N ATOM 1302 CA TYR A 77 78.657 12.663 7.865 1.00 0.00 C ATOM 1303 C TYR A 77 77.341 13.382 8.163 1.00 0.00 C ATOM 1304 O TYR A 77 76.831 13.330 9.264 1.00 0.00 O ATOM 1305 CB TYR A 77 79.401 12.435 9.178 1.00 0.00 C ATOM 1306 CG TYR A 77 78.549 11.586 10.091 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.915 10.442 9.591 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.393 11.942 11.435 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.125 9.654 10.436 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.602 11.155 12.280 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.969 10.011 11.781 1.00 0.00 C ATOM 1312 OH TYR A 77 76.189 9.234 12.614 1.00 0.00 O ATOM 0 H TYR A 77 80.160 14.100 7.412 1.00 0.00 H new ATOM 0 HA TYR A 77 78.457 11.705 7.385 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.355 11.942 8.989 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.625 13.390 9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.036 10.168 8.553 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.883 12.824 11.820 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.636 8.771 10.051 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.480 11.431 13.317 1.00 0.00 H new ATOM 0 HH TYR A 77 76.383 8.287 12.454 1.00 0.00 H new ATOM 1322 N ARG A 78 76.791 14.057 7.196 1.00 0.00 N ATOM 1323 CA ARG A 78 75.517 14.781 7.432 1.00 0.00 C ATOM 1324 C ARG A 78 74.810 15.036 6.098 1.00 0.00 C ATOM 1325 O ARG A 78 74.049 15.973 5.960 1.00 0.00 O ATOM 1326 CB ARG A 78 75.816 16.114 8.133 1.00 0.00 C ATOM 1327 CG ARG A 78 76.288 17.152 7.110 1.00 0.00 C ATOM 1328 CD ARG A 78 77.565 17.819 7.619 1.00 0.00 C ATOM 1329 NE ARG A 78 77.209 19.003 8.452 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.314 18.892 9.394 1.00 0.00 C ATOM 1331 NH1 ARG A 78 76.673 18.536 10.597 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.059 19.137 9.133 1.00 0.00 N ATOM 0 H ARG A 78 77.170 14.138 6.252 1.00 0.00 H new ATOM 0 HA ARG A 78 74.865 14.178 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.922 16.474 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.581 15.969 8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.473 16.674 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.512 17.901 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 78 78.149 17.110 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 78 78.187 18.126 6.779 1.00 0.00 H new ATOM 0 HE ARG A 78 77.665 19.900 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 78 77.654 18.344 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 78 75.973 18.449 11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 78 74.779 19.415 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 78 74.359 19.050 9.869 1.00 0.00 H new ATOM 1346 N ALA A 79 75.050 14.212 5.117 1.00 0.00 N ATOM 1347 CA ALA A 79 74.388 14.416 3.806 1.00 0.00 C ATOM 1348 C ALA A 79 73.751 13.117 3.344 1.00 0.00 C ATOM 1349 O ALA A 79 72.543 12.979 3.322 1.00 0.00 O ATOM 1350 CB ALA A 79 75.415 14.890 2.778 1.00 0.00 C ATOM 0 H ALA A 79 75.676 13.408 5.169 1.00 0.00 H new ATOM 0 HA ALA A 79 73.612 15.174 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.925 15.039 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.855 15.830 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.199 14.139 2.674 1.00 0.00 H new ATOM 1356 N LEU A 80 74.546 12.157 2.996 1.00 0.00 N ATOM 1357 CA LEU A 80 73.975 10.857 2.559 1.00 0.00 C ATOM 1358 C LEU A 80 73.313 10.187 3.761 1.00 0.00 C ATOM 1359 O LEU A 80 72.673 9.163 3.638 1.00 0.00 O ATOM 1360 CB LEU A 80 75.085 9.962 2.009 1.00 0.00 C ATOM 1361 CG LEU A 80 76.235 9.922 3.010 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.480 8.478 3.450 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.501 10.479 2.355 1.00 0.00 C ATOM 0 H LEU A 80 75.565 12.211 2.994 1.00 0.00 H new ATOM 0 HA LEU A 80 73.237 11.020 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 80 74.704 8.956 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.435 10.343 1.049 1.00 0.00 H new ATOM 0 HG LEU A 80 75.980 10.527 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 80 77.302 8.450 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.578 8.082 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.734 7.871 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 80 78.323 10.451 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.756 9.875 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 80 77.327 11.509 2.043 1.00 0.00 H new ATOM 1375 N ILE A 81 73.442 10.772 4.923 1.00 0.00 N ATOM 1376 CA ILE A 81 72.798 10.187 6.119 1.00 0.00 C ATOM 1377 C ILE A 81 71.331 10.610 6.090 1.00 0.00 C ATOM 1378 O ILE A 81 70.441 9.859 6.435 1.00 0.00 O ATOM 1379 CB ILE A 81 73.513 10.684 7.400 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.690 11.766 8.106 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.889 11.251 7.053 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.525 11.100 8.834 1.00 0.00 C ATOM 0 H ILE A 81 73.968 11.630 5.088 1.00 0.00 H new ATOM 0 HA ILE A 81 72.868 9.099 6.120 1.00 0.00 H new ATOM 0 HB ILE A 81 73.624 9.831 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 81 73.313 12.314 8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 81 72.318 12.490 7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 81 75.380 11.597 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.495 10.475 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.775 12.087 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.931 11.860 9.341 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.900 10.572 8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.911 10.392 9.567 1.00 0.00 H new ATOM 1394 N GLU A 82 71.086 11.814 5.658 1.00 0.00 N ATOM 1395 CA GLU A 82 69.694 12.312 5.575 1.00 0.00 C ATOM 1396 C GLU A 82 69.077 11.869 4.246 1.00 0.00 C ATOM 1397 O GLU A 82 67.873 11.782 4.110 1.00 0.00 O ATOM 1398 CB GLU A 82 69.694 13.841 5.652 1.00 0.00 C ATOM 1399 CG GLU A 82 68.408 14.321 6.327 1.00 0.00 C ATOM 1400 CD GLU A 82 68.336 15.848 6.257 1.00 0.00 C ATOM 1401 OE1 GLU A 82 69.281 16.444 5.769 1.00 0.00 O ATOM 1402 OE2 GLU A 82 67.335 16.395 6.692 1.00 0.00 O ATOM 0 H GLU A 82 71.800 12.478 5.357 1.00 0.00 H new ATOM 0 HA GLU A 82 69.111 11.907 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.562 14.187 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.772 14.266 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.540 13.882 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.385 13.992 7.366 1.00 0.00 H new ATOM 1409 N LYS A 83 69.891 11.588 3.259 1.00 0.00 N ATOM 1410 CA LYS A 83 69.343 11.156 1.947 1.00 0.00 C ATOM 1411 C LYS A 83 69.011 9.664 1.992 1.00 0.00 C ATOM 1412 O LYS A 83 67.982 9.230 1.515 1.00 0.00 O ATOM 1413 CB LYS A 83 70.379 11.416 0.851 1.00 0.00 C ATOM 1414 CG LYS A 83 70.737 12.903 0.828 1.00 0.00 C ATOM 1415 CD LYS A 83 70.824 13.386 -0.622 1.00 0.00 C ATOM 1416 CE LYS A 83 69.414 13.510 -1.204 1.00 0.00 C ATOM 1417 NZ LYS A 83 69.260 12.556 -2.338 1.00 0.00 N ATOM 0 H LYS A 83 70.908 11.640 3.310 1.00 0.00 H new ATOM 0 HA LYS A 83 68.435 11.720 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.273 10.819 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.983 11.112 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.985 13.477 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 83 71.688 13.067 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.333 14.349 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 83 71.413 12.687 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.671 13.300 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 83 69.238 14.530 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 68.261 12.281 -2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 69.573 13.011 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 69.838 11.710 -2.161 1.00 0.00 H new ATOM 1431 N LEU A 84 69.881 8.878 2.557 1.00 0.00 N ATOM 1432 CA LEU A 84 69.633 7.415 2.630 1.00 0.00 C ATOM 1433 C LEU A 84 68.904 7.073 3.929 1.00 0.00 C ATOM 1434 O LEU A 84 67.922 6.356 3.934 1.00 0.00 O ATOM 1435 CB LEU A 84 70.969 6.671 2.593 1.00 0.00 C ATOM 1436 CG LEU A 84 71.623 6.863 1.225 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.081 7.286 1.411 1.00 0.00 C ATOM 1438 CD2 LEU A 84 71.570 5.546 0.448 1.00 0.00 C ATOM 0 H LEU A 84 70.759 9.189 2.974 1.00 0.00 H new ATOM 0 HA LEU A 84 69.018 7.115 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 84 71.627 7.044 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 84 70.812 5.610 2.787 1.00 0.00 H new ATOM 0 HG LEU A 84 71.089 7.635 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 84 73.547 7.423 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 84 73.120 8.223 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 84 73.616 6.514 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 84 72.036 5.680 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 84 72.105 4.775 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 84 70.531 5.243 0.316 1.00 0.00 H new ATOM 1450 N GLY A 85 69.386 7.569 5.031 1.00 0.00 N ATOM 1451 CA GLY A 85 68.736 7.267 6.337 1.00 0.00 C ATOM 1452 C GLY A 85 69.743 6.552 7.237 1.00 0.00 C ATOM 1453 O GLY A 85 69.758 5.341 7.331 1.00 0.00 O ATOM 0 H GLY A 85 70.206 8.173 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.395 8.188 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 85 67.856 6.642 6.185 1.00 0.00 H new ATOM 1457 N ILE A 86 70.605 7.293 7.878 1.00 0.00 N ATOM 1458 CA ILE A 86 71.627 6.691 8.738 1.00 0.00 C ATOM 1459 C ILE A 86 71.074 6.501 10.156 1.00 0.00 C ATOM 1460 O ILE A 86 71.315 5.498 10.799 1.00 0.00 O ATOM 1461 CB ILE A 86 72.798 7.668 8.724 1.00 0.00 C ATOM 1462 CG1 ILE A 86 74.096 6.895 8.676 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.766 8.587 9.943 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.381 6.276 10.043 1.00 0.00 C ATOM 0 H ILE A 86 70.633 8.312 7.832 1.00 0.00 H new ATOM 0 HA ILE A 86 71.935 5.705 8.389 1.00 0.00 H new ATOM 0 HB ILE A 86 72.718 8.297 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.037 6.114 7.918 1.00 0.00 H new ATOM 0 HG13 ILE A 86 74.913 7.556 8.389 1.00 0.00 H new ATOM 0 HG21 ILE A 86 73.613 9.272 9.905 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.838 9.158 9.944 1.00 0.00 H new ATOM 0 HG23 ILE A 86 72.825 7.988 10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 86 75.318 5.720 10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 86 74.460 7.065 10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 86 73.569 5.600 10.313 1.00 0.00 H new ATOM 1476 N ARG A 87 70.337 7.457 10.640 1.00 0.00 N ATOM 1477 CA ARG A 87 69.763 7.343 12.006 1.00 0.00 C ATOM 1478 C ARG A 87 68.946 6.071 12.115 1.00 0.00 C ATOM 1479 O ARG A 87 68.685 5.556 13.184 1.00 0.00 O ATOM 1480 CB ARG A 87 68.865 8.544 12.264 1.00 0.00 C ATOM 1481 CG ARG A 87 69.642 9.833 11.994 1.00 0.00 C ATOM 1482 CD ARG A 87 70.125 10.425 13.320 1.00 0.00 C ATOM 1483 NE ARG A 87 69.211 11.527 13.733 1.00 0.00 N ATOM 1484 CZ ARG A 87 69.700 12.615 14.265 1.00 0.00 C ATOM 1485 NH1 ARG A 87 70.818 12.567 14.935 1.00 0.00 N ATOM 1486 NH2 ARG A 87 69.067 13.747 14.128 1.00 0.00 N ATOM 0 H ARG A 87 70.106 8.318 10.145 1.00 0.00 H new ATOM 0 HA ARG A 87 70.568 7.314 12.740 1.00 0.00 H new ATOM 0 HB2 ARG A 87 67.985 8.497 11.623 1.00 0.00 H new ATOM 0 HB3 ARG A 87 68.510 8.531 13.294 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.492 9.628 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 87 69.008 10.550 11.473 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.151 9.652 14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.142 10.802 13.213 1.00 0.00 H new ATOM 0 HE ARG A 87 68.204 11.432 13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 87 71.310 11.680 15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 87 71.200 13.416 15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 87 68.191 13.782 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.448 14.598 14.543 1.00 0.00 H new ATOM 1500 N GLY A 88 68.551 5.578 11.004 1.00 0.00 N ATOM 1501 CA GLY A 88 67.739 4.329 10.965 1.00 0.00 C ATOM 1502 C GLY A 88 66.900 4.303 9.687 1.00 0.00 C ATOM 1503 O GLY A 88 66.844 5.323 9.018 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.327 3.265 9.398 1.00 0.00 O ATOM 0 H GLY A 88 68.752 5.985 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 88 68.392 3.457 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 88 67.090 4.278 11.839 1.00 0.00 H new TER 1508 GLY A 88