USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 938 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 92 HIS :FLIP no HD1:sc= -3.19! C(o=-16!,f=-14!) USER MOD Set 1.2: A 94 MET CE :methyl -117:sc= -5.55! (180deg=-12.4!) USER MOD Set 1.3: A 99 GLN : amide:sc= -5.64! C(o=-14!,f=-15!) USER MOD Set 2.1: A 70 MET CE :methyl -169:sc= -3.79 (180deg=-4.15!) USER MOD Set 2.2: A 72 GLN :FLIP amide:sc= -0.112 F(o=-5.4,f=-3.9) USER MOD Set 3.1: A 65 SER OG : rot -34:sc= 1.65 USER MOD Set 3.2: A 66 GLN : amide:sc= -2.25! C(o=-0.61!,f=-4.3!) USER MOD Set 4.1: A 60 SER OG : rot -120:sc= 1.69 USER MOD Set 4.2: A 64 THR OG1 : rot 145:sc= 1.21 USER MOD Set 5.1: A 48 GLN : amide:sc= -1.45 X(o=-2.2,f=-2.3) USER MOD Set 5.2: A 50 GLN : amide:sc= -0.759 X(o=-2.2,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -136:sc= -0.0136 (180deg=-0.181) USER MOD Single : A 14 HIS : +bothHN:sc= -21.8! C(o=-22!,f=-32!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -14.3! C(o=-15!,f=-14!) USER MOD Single : A 19 GLN : amide:sc=-0.00941 X(o=-0.0094,f=0) USER MOD Single : A 23 TYR OH : rot 34:sc= -1.37! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 30 THR OG1 : rot 111:sc= 1.33 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 61 HIS : no HE2:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 74 TYR OH : rot 107:sc= 0.213 USER MOD Single : A 79 TYR OH : rot -155:sc= -1.38 USER MOD Single : A 80 MET CE :methyl 168:sc= -0.373 (180deg=-0.566) USER MOD Single : A 82 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.59) USER MOD Single : A 83 ASN : amide:sc=-0.00534 K(o=-0.0053,f=-0.65) USER MOD Single : A 84 SER OG : rot 62:sc= 0.953 USER MOD Single : A 88 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.3!) USER MOD Single : A 90 GLN : amide:sc= -0.043 K(o=-0.043,f=-0.87) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -16.9! C(o=-19!,f=-17!) USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= -0.066 (180deg=-0.425) USER MOD Single : A 111 SER OG : rot 38:sc=-0.00197 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.555 13.089 -20.335 1.00 0.00 N ATOM 2 CA GLY A 1 -29.335 11.871 -21.094 1.00 0.00 C ATOM 3 C GLY A 1 -28.405 10.916 -20.343 1.00 0.00 C ATOM 4 O GLY A 1 -28.752 10.420 -19.272 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.189 13.719 -20.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.988 12.854 -19.419 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.646 13.567 -20.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.289 11.380 -21.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.903 12.116 -22.064 1.00 0.00 H new ATOM 8 N SER A 2 -27.241 10.689 -20.932 1.00 0.00 N ATOM 9 CA SER A 2 -26.257 9.804 -20.332 1.00 0.00 C ATOM 10 C SER A 2 -24.860 10.416 -20.450 1.00 0.00 C ATOM 11 O SER A 2 -24.693 11.478 -21.045 1.00 0.00 O ATOM 12 CB SER A 2 -26.288 8.421 -20.986 1.00 0.00 C ATOM 13 OG SER A 2 -26.274 8.503 -22.408 1.00 0.00 O ATOM 0 H SER A 2 -26.956 11.103 -21.820 1.00 0.00 H new ATOM 0 HA SER A 2 -26.505 9.683 -19.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.430 7.841 -20.648 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.181 7.887 -20.662 1.00 0.00 H new ATOM 0 HG SER A 2 -26.293 7.600 -22.788 1.00 0.00 H new ATOM 19 N MET A 3 -23.892 9.718 -19.871 1.00 0.00 N ATOM 20 CA MET A 3 -22.516 10.181 -19.903 1.00 0.00 C ATOM 21 C MET A 3 -21.555 9.073 -19.470 1.00 0.00 C ATOM 22 O MET A 3 -21.192 8.983 -18.298 1.00 0.00 O ATOM 23 CB MET A 3 -22.360 11.386 -18.973 1.00 0.00 C ATOM 24 CG MET A 3 -21.007 12.069 -19.183 1.00 0.00 C ATOM 25 SD MET A 3 -21.177 13.834 -18.979 1.00 0.00 S ATOM 26 CE MET A 3 -21.954 14.252 -20.530 1.00 0.00 C ATOM 0 H MET A 3 -24.035 8.837 -19.378 1.00 0.00 H new ATOM 0 HA MET A 3 -22.273 10.468 -20.926 1.00 0.00 H new ATOM 0 HB2 MET A 3 -23.164 12.099 -19.158 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.452 11.064 -17.936 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.280 11.681 -18.470 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.628 11.845 -20.180 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.485 15.145 -20.943 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.838 13.424 -21.230 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.015 14.442 -20.366 1.00 0.00 H new ATOM 36 N ALA A 4 -21.169 8.255 -20.438 1.00 0.00 N ATOM 37 CA ALA A 4 -20.258 7.155 -20.171 1.00 0.00 C ATOM 38 C ALA A 4 -18.925 7.713 -19.668 1.00 0.00 C ATOM 39 O ALA A 4 -18.558 8.840 -19.994 1.00 0.00 O ATOM 40 CB ALA A 4 -20.096 6.308 -21.435 1.00 0.00 C ATOM 0 H ALA A 4 -21.471 8.332 -21.409 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.658 6.506 -19.392 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.413 5.483 -21.235 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.066 5.911 -21.734 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.694 6.926 -22.238 1.00 0.00 H new ATOM 46 N GLY A 5 -18.238 6.898 -18.882 1.00 0.00 N ATOM 47 CA GLY A 5 -16.954 7.296 -18.331 1.00 0.00 C ATOM 48 C GLY A 5 -16.412 6.230 -17.377 1.00 0.00 C ATOM 49 O GLY A 5 -17.145 5.334 -16.961 1.00 0.00 O ATOM 0 H GLY A 5 -18.546 5.964 -18.613 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.242 7.460 -19.140 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.059 8.243 -17.802 1.00 0.00 H new ATOM 53 N GLU A 6 -15.133 6.361 -17.059 1.00 0.00 N ATOM 54 CA GLU A 6 -14.484 5.420 -16.162 1.00 0.00 C ATOM 55 C GLU A 6 -13.085 5.917 -15.792 1.00 0.00 C ATOM 56 O GLU A 6 -12.334 6.365 -16.657 1.00 0.00 O ATOM 57 CB GLU A 6 -14.424 4.023 -16.782 1.00 0.00 C ATOM 58 CG GLU A 6 -13.858 3.006 -15.790 1.00 0.00 C ATOM 59 CD GLU A 6 -14.963 2.103 -15.238 1.00 0.00 C ATOM 60 OE1 GLU A 6 -15.845 2.580 -14.508 1.00 0.00 O ATOM 61 OE2 GLU A 6 -14.884 0.866 -15.592 1.00 0.00 O ATOM 0 H GLU A 6 -14.528 7.105 -17.407 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.076 5.351 -15.250 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.423 3.716 -17.093 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.804 4.046 -17.678 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.098 2.398 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.367 3.528 -14.969 1.00 0.00 H new ATOM 69 N ASP A 7 -12.777 5.821 -14.507 1.00 0.00 N ATOM 70 CA ASP A 7 -11.481 6.254 -14.013 1.00 0.00 C ATOM 71 C ASP A 7 -11.043 5.337 -12.870 1.00 0.00 C ATOM 72 O ASP A 7 -11.873 4.868 -12.092 1.00 0.00 O ATOM 73 CB ASP A 7 -11.548 7.684 -13.473 1.00 0.00 C ATOM 74 CG ASP A 7 -12.572 8.589 -14.162 1.00 0.00 C ATOM 75 OD1 ASP A 7 -13.785 8.467 -13.937 1.00 0.00 O ATOM 76 OD2 ASP A 7 -12.072 9.460 -14.972 1.00 0.00 O ATOM 0 H ASP A 7 -13.403 5.449 -13.793 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.774 6.214 -14.841 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.779 7.644 -12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.562 8.139 -13.568 1.00 0.00 H new ATOM 82 N VAL A 8 -9.740 5.108 -12.804 1.00 0.00 N ATOM 83 CA VAL A 8 -9.181 4.256 -11.769 1.00 0.00 C ATOM 84 C VAL A 8 -9.350 4.934 -10.409 1.00 0.00 C ATOM 85 O VAL A 8 -9.782 6.083 -10.334 1.00 0.00 O ATOM 86 CB VAL A 8 -7.723 3.923 -12.095 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.227 2.749 -11.249 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.546 3.638 -13.587 1.00 0.00 C ATOM 0 H VAL A 8 -9.055 5.498 -13.451 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.715 3.307 -11.727 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.117 4.794 -11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.189 2.533 -11.500 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.299 3.006 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.840 1.870 -11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.501 3.404 -13.791 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.170 2.791 -13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.841 4.515 -14.163 1.00 0.00 H new ATOM 98 N GLY A 9 -8.999 4.195 -9.366 1.00 0.00 N ATOM 99 CA GLY A 9 -9.108 4.711 -8.012 1.00 0.00 C ATOM 100 C GLY A 9 -7.727 5.033 -7.436 1.00 0.00 C ATOM 101 O GLY A 9 -7.488 6.147 -6.974 1.00 0.00 O ATOM 0 H GLY A 9 -8.639 3.243 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.726 5.609 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.609 3.978 -7.379 1.00 0.00 H new ATOM 105 N ALA A 10 -6.855 4.036 -7.483 1.00 0.00 N ATOM 106 CA ALA A 10 -5.504 4.201 -6.972 1.00 0.00 C ATOM 107 C ALA A 10 -4.602 3.121 -7.573 1.00 0.00 C ATOM 108 O ALA A 10 -4.991 1.957 -7.656 1.00 0.00 O ATOM 109 CB ALA A 10 -5.529 4.155 -5.443 1.00 0.00 C ATOM 0 H ALA A 10 -7.057 3.113 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.098 5.170 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.517 4.279 -5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.161 4.959 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.927 3.195 -5.114 1.00 0.00 H new ATOM 115 N PRO A 11 -3.383 3.557 -7.989 1.00 0.00 N ATOM 116 CA PRO A 11 -2.422 2.642 -8.581 1.00 0.00 C ATOM 117 C PRO A 11 -1.779 1.756 -7.513 1.00 0.00 C ATOM 118 O PRO A 11 -2.020 1.940 -6.321 1.00 0.00 O ATOM 119 CB PRO A 11 -1.419 3.533 -9.297 1.00 0.00 C ATOM 120 CG PRO A 11 -1.589 4.919 -8.695 1.00 0.00 C ATOM 121 CD PRO A 11 -2.889 4.929 -7.907 1.00 0.00 C ATOM 0 HA PRO A 11 -2.882 1.943 -9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.402 3.168 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.606 3.548 -10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.747 5.159 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.612 5.676 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.723 5.229 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.604 5.633 -8.332 1.00 0.00 H new ATOM 129 N PRO A 12 -0.952 0.789 -7.991 1.00 0.00 N ATOM 130 CA PRO A 12 -0.272 -0.127 -7.090 1.00 0.00 C ATOM 131 C PRO A 12 0.892 0.566 -6.379 1.00 0.00 C ATOM 132 O PRO A 12 1.995 0.645 -6.919 1.00 0.00 O ATOM 133 CB PRO A 12 0.173 -1.286 -7.968 1.00 0.00 C ATOM 134 CG PRO A 12 0.138 -0.764 -9.395 1.00 0.00 C ATOM 135 CD PRO A 12 -0.642 0.541 -9.396 1.00 0.00 C ATOM 0 HA PRO A 12 -0.916 -0.480 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.175 -1.618 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.490 -2.143 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.150 -0.604 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.334 -1.491 -10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.053 1.354 -9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.550 0.459 -9.993 1.00 0.00 H new ATOM 143 N ASP A 13 0.608 1.050 -5.180 1.00 0.00 N ATOM 144 CA ASP A 13 1.617 1.734 -4.389 1.00 0.00 C ATOM 145 C ASP A 13 2.935 0.960 -4.473 1.00 0.00 C ATOM 146 O ASP A 13 4.010 1.543 -4.347 1.00 0.00 O ATOM 147 CB ASP A 13 1.207 1.811 -2.918 1.00 0.00 C ATOM 148 CG ASP A 13 2.242 2.448 -1.989 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.082 3.595 -1.544 1.00 0.00 O ATOM 150 OD2 ASP A 13 3.264 1.707 -1.722 1.00 0.00 O ATOM 0 H ASP A 13 -0.308 0.982 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 13 1.728 2.744 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.278 2.377 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.994 0.803 -2.563 1.00 0.00 H new ATOM 156 N HIS A 14 2.807 -0.341 -4.686 1.00 0.00 N ATOM 157 CA HIS A 14 3.974 -1.202 -4.787 1.00 0.00 C ATOM 158 C HIS A 14 3.626 -2.442 -5.613 1.00 0.00 C ATOM 159 O HIS A 14 2.486 -2.902 -5.601 1.00 0.00 O ATOM 160 CB HIS A 14 4.516 -1.547 -3.399 1.00 0.00 C ATOM 161 CG HIS A 14 3.946 -2.818 -2.816 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.418 -2.886 -1.538 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.825 -4.068 -3.349 1.00 0.00 C ATOM 164 CE1 HIS A 14 3.003 -4.126 -1.322 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.257 -4.857 -2.444 1.00 0.00 N ATOM 0 H HIS A 14 1.913 -0.821 -4.792 1.00 0.00 H new ATOM 0 HA HIS A 14 4.776 -0.676 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.600 -1.640 -3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.302 -0.721 -2.721 1.00 0.00 H new ATOM 0 HD1 HIS A 14 3.358 -2.113 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.138 -4.366 -4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.544 -4.493 -0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.046 -5.847 -2.568 1.00 0.00 H new ATOM 173 N LEU A 15 4.632 -2.948 -6.313 1.00 0.00 N ATOM 174 CA LEU A 15 4.447 -4.124 -7.144 1.00 0.00 C ATOM 175 C LEU A 15 5.496 -5.175 -6.774 1.00 0.00 C ATOM 176 O LEU A 15 6.614 -4.833 -6.392 1.00 0.00 O ATOM 177 CB LEU A 15 4.458 -3.741 -8.625 1.00 0.00 C ATOM 178 CG LEU A 15 3.213 -3.016 -9.140 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.489 -2.337 -10.482 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.016 -3.967 -9.212 1.00 0.00 C ATOM 0 H LEU A 15 5.577 -2.564 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 15 3.469 -4.569 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.325 -3.107 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.595 -4.648 -9.213 1.00 0.00 H new ATOM 0 HG LEU A 15 2.957 -2.230 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.588 -1.829 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.292 -1.610 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.784 -3.087 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.144 -3.427 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.246 -4.791 -9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.805 -4.362 -8.218 1.00 0.00 H new ATOM 192 N TRP A 16 5.097 -6.433 -6.898 1.00 0.00 N ATOM 193 CA TRP A 16 5.989 -7.535 -6.579 1.00 0.00 C ATOM 194 C TRP A 16 5.949 -8.527 -7.744 1.00 0.00 C ATOM 195 O TRP A 16 4.933 -9.179 -7.975 1.00 0.00 O ATOM 196 CB TRP A 16 5.615 -8.172 -5.239 1.00 0.00 C ATOM 197 CG TRP A 16 5.937 -7.301 -4.024 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.019 -6.535 -3.821 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.123 -7.134 -2.845 1.00 0.00 C ATOM 200 NE1 TRP A 16 6.961 -5.891 -2.603 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.771 -6.267 -1.990 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.878 -7.698 -2.512 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.253 -5.885 -0.747 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.374 -7.307 -1.266 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.015 -6.435 -0.393 1.00 0.00 C ATOM 0 H TRP A 16 4.169 -6.713 -7.215 1.00 0.00 H new ATOM 0 HA TRP A 16 7.013 -7.181 -6.458 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.548 -8.396 -5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.140 -9.122 -5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.833 -6.435 -4.523 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.662 -5.256 -2.222 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.353 -8.379 -3.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.780 -5.203 -0.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.420 -7.711 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.560 -6.183 0.554 1.00 0.00 H new ATOM 216 N VAL A 17 7.069 -8.607 -8.449 1.00 0.00 N ATOM 217 CA VAL A 17 7.175 -9.508 -9.585 1.00 0.00 C ATOM 218 C VAL A 17 7.208 -10.952 -9.083 1.00 0.00 C ATOM 219 O VAL A 17 8.068 -11.317 -8.283 1.00 0.00 O ATOM 220 CB VAL A 17 8.396 -9.140 -10.430 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.694 -9.503 -9.706 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.331 -9.807 -11.805 1.00 0.00 C ATOM 0 H VAL A 17 7.910 -8.063 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 17 6.305 -9.410 -10.234 1.00 0.00 H new ATOM 0 HB VAL A 17 8.387 -8.060 -10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.546 -9.231 -10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.747 -8.962 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.714 -10.575 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.210 -9.529 -12.386 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.304 -10.890 -11.683 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.433 -9.478 -12.327 1.00 0.00 H new ATOM 232 N HIS A 18 6.261 -11.737 -9.575 1.00 0.00 N ATOM 233 CA HIS A 18 6.169 -13.134 -9.186 1.00 0.00 C ATOM 234 C HIS A 18 6.443 -14.024 -10.400 1.00 0.00 C ATOM 235 O HIS A 18 7.013 -15.106 -10.267 1.00 0.00 O ATOM 236 CB HIS A 18 4.821 -13.429 -8.528 1.00 0.00 C ATOM 237 CG HIS A 18 4.544 -14.899 -8.325 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.644 -15.952 -9.186 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.109 -15.421 -7.119 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.291 -17.057 -8.541 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 3.957 -16.730 -7.260 1.00 0.00 N flip ATOM 0 H HIS A 18 5.550 -11.432 -10.240 1.00 0.00 H new ATOM 0 HA HIS A 18 6.929 -13.356 -8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.782 -12.926 -7.562 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.028 -13.002 -9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.925 -14.857 -6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.272 -18.052 -8.962 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.645 -17.379 -6.537 1.00 0.00 H new ATOM 249 N GLN A 19 6.024 -13.535 -11.558 1.00 0.00 N ATOM 250 CA GLN A 19 6.215 -14.272 -12.796 1.00 0.00 C ATOM 251 C GLN A 19 6.769 -13.348 -13.883 1.00 0.00 C ATOM 252 O GLN A 19 6.776 -12.129 -13.723 1.00 0.00 O ATOM 253 CB GLN A 19 4.911 -14.930 -13.249 1.00 0.00 C ATOM 254 CG GLN A 19 4.795 -16.353 -12.698 1.00 0.00 C ATOM 255 CD GLN A 19 4.401 -17.337 -13.801 1.00 0.00 C ATOM 256 OE1 GLN A 19 3.414 -17.168 -14.497 1.00 0.00 O ATOM 257 NE2 GLN A 19 5.226 -18.374 -13.921 1.00 0.00 N ATOM 0 H GLN A 19 5.553 -12.637 -11.665 1.00 0.00 H new ATOM 0 HA GLN A 19 6.940 -15.065 -12.616 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.063 -14.335 -12.911 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.870 -14.953 -14.338 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.746 -16.655 -12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.052 -16.379 -11.900 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.035 -18.456 -13.306 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.049 -19.087 -14.628 1.00 0.00 H new ATOM 266 N GLU A 20 7.221 -13.966 -14.964 1.00 0.00 N ATOM 267 CA GLU A 20 7.776 -13.215 -16.078 1.00 0.00 C ATOM 268 C GLU A 20 6.730 -12.253 -16.644 1.00 0.00 C ATOM 269 O GLU A 20 5.765 -12.681 -17.276 1.00 0.00 O ATOM 270 CB GLU A 20 8.301 -14.155 -17.165 1.00 0.00 C ATOM 271 CG GLU A 20 7.192 -15.074 -17.679 1.00 0.00 C ATOM 272 CD GLU A 20 7.776 -16.272 -18.429 1.00 0.00 C ATOM 273 OE1 GLU A 20 8.840 -16.783 -18.050 1.00 0.00 O ATOM 274 OE2 GLU A 20 7.082 -16.673 -19.442 1.00 0.00 O ATOM 0 H GLU A 20 7.214 -14.978 -15.093 1.00 0.00 H new ATOM 0 HA GLU A 20 8.619 -12.629 -15.711 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.706 -13.571 -17.991 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.120 -14.755 -16.767 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.588 -15.424 -16.842 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.529 -14.515 -18.339 1.00 0.00 H new ATOM 282 N GLY A 21 6.955 -10.971 -16.396 1.00 0.00 N ATOM 283 CA GLY A 21 6.044 -9.945 -16.873 1.00 0.00 C ATOM 284 C GLY A 21 4.794 -9.870 -15.992 1.00 0.00 C ATOM 285 O GLY A 21 3.752 -9.385 -16.429 1.00 0.00 O ATOM 0 H GLY A 21 7.756 -10.620 -15.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.549 -8.979 -16.878 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.756 -10.159 -17.902 1.00 0.00 H new ATOM 289 N ILE A 22 4.941 -10.358 -14.770 1.00 0.00 N ATOM 290 CA ILE A 22 3.837 -10.352 -13.824 1.00 0.00 C ATOM 291 C ILE A 22 4.267 -9.623 -12.550 1.00 0.00 C ATOM 292 O ILE A 22 5.456 -9.547 -12.244 1.00 0.00 O ATOM 293 CB ILE A 22 3.336 -11.777 -13.578 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.482 -12.268 -14.749 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.589 -11.872 -12.245 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.347 -12.963 -15.804 1.00 0.00 C ATOM 0 H ILE A 22 5.807 -10.760 -14.412 1.00 0.00 H new ATOM 0 HA ILE A 22 2.987 -9.805 -14.233 1.00 0.00 H new ATOM 0 HB ILE A 22 4.201 -12.437 -13.511 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.721 -12.958 -14.385 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.958 -11.425 -15.200 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.243 -12.895 -12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.259 -11.591 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.733 -11.198 -12.259 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.716 -13.303 -16.626 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.091 -12.263 -16.183 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.850 -13.819 -15.355 1.00 0.00 H new ATOM 308 N TYR A 23 3.275 -9.103 -11.841 1.00 0.00 N ATOM 309 CA TYR A 23 3.536 -8.381 -10.608 1.00 0.00 C ATOM 310 C TYR A 23 2.332 -8.453 -9.665 1.00 0.00 C ATOM 311 O TYR A 23 1.196 -8.600 -10.114 1.00 0.00 O ATOM 312 CB TYR A 23 3.764 -6.924 -11.013 1.00 0.00 C ATOM 313 CG TYR A 23 5.225 -6.583 -11.314 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.084 -6.258 -10.283 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.684 -6.601 -12.615 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.459 -5.937 -10.566 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.060 -6.280 -12.898 1.00 0.00 C ATOM 318 CZ TYR A 23 7.879 -5.964 -11.859 1.00 0.00 C ATOM 319 OH TYR A 23 9.178 -5.661 -12.126 1.00 0.00 O ATOM 0 H TYR A 23 2.290 -9.168 -12.097 1.00 0.00 H new ATOM 0 HA TYR A 23 4.392 -8.809 -10.086 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.161 -6.704 -11.894 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.408 -6.275 -10.213 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.725 -6.245 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.012 -6.856 -13.421 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.141 -5.681 -9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.432 -6.290 -13.912 1.00 0.00 H new ATOM 0 HH TYR A 23 9.745 -5.976 -11.391 1.00 0.00 H new ATOM 329 N ARG A 24 2.623 -8.346 -8.377 1.00 0.00 N ATOM 330 CA ARG A 24 1.579 -8.397 -7.368 1.00 0.00 C ATOM 331 C ARG A 24 1.401 -7.023 -6.718 1.00 0.00 C ATOM 332 O ARG A 24 2.378 -6.384 -6.331 1.00 0.00 O ATOM 333 CB ARG A 24 1.909 -9.426 -6.285 1.00 0.00 C ATOM 334 CG ARG A 24 0.683 -10.277 -5.946 1.00 0.00 C ATOM 335 CD ARG A 24 1.084 -11.725 -5.657 1.00 0.00 C ATOM 336 NE ARG A 24 1.757 -11.812 -4.341 1.00 0.00 N ATOM 337 CZ ARG A 24 3.097 -11.856 -4.178 1.00 0.00 C ATOM 338 NH1 ARG A 24 3.919 -11.823 -5.249 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.590 -11.932 -2.957 1.00 0.00 N ATOM 0 H ARG A 24 3.567 -8.224 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 24 0.654 -8.691 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.720 -10.070 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.261 -8.916 -5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.173 -9.857 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.024 -10.250 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.201 -12.364 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.749 -12.090 -6.440 1.00 0.00 H new ATOM 0 HE ARG A 24 1.172 -11.840 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.529 -11.764 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.930 -11.857 -5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.962 -11.957 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.600 -11.966 -2.816 1.00 0.00 H new ATOM 352 N ASP A 25 0.147 -6.608 -6.620 1.00 0.00 N ATOM 353 CA ASP A 25 -0.171 -5.322 -6.023 1.00 0.00 C ATOM 354 C ASP A 25 -0.146 -5.450 -4.499 1.00 0.00 C ATOM 355 O ASP A 25 0.094 -6.534 -3.967 1.00 0.00 O ATOM 356 CB ASP A 25 -1.570 -4.855 -6.435 1.00 0.00 C ATOM 357 CG ASP A 25 -1.819 -3.353 -6.285 1.00 0.00 C ATOM 358 OD1 ASP A 25 -0.964 -2.610 -5.782 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.965 -2.945 -6.716 1.00 0.00 O ATOM 0 H ASP A 25 -0.661 -7.139 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 25 0.568 -4.599 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.738 -5.134 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.307 -5.392 -5.838 1.00 0.00 H new ATOM 365 N GLU A 26 -0.395 -4.330 -3.838 1.00 0.00 N ATOM 366 CA GLU A 26 -0.405 -4.304 -2.385 1.00 0.00 C ATOM 367 C GLU A 26 -1.827 -4.512 -1.860 1.00 0.00 C ATOM 368 O GLU A 26 -2.122 -4.190 -0.711 1.00 0.00 O ATOM 369 CB GLU A 26 0.188 -2.997 -1.856 1.00 0.00 C ATOM 370 CG GLU A 26 0.176 -2.968 -0.327 1.00 0.00 C ATOM 371 CD GLU A 26 1.288 -2.066 0.214 1.00 0.00 C ATOM 372 OE1 GLU A 26 1.745 -1.155 -0.492 1.00 0.00 O ATOM 373 OE2 GLU A 26 1.675 -2.340 1.413 1.00 0.00 O ATOM 0 H GLU A 26 -0.592 -3.433 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 26 0.219 -5.121 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.210 -2.885 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.381 -2.152 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.791 -2.610 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.302 -3.979 0.060 1.00 0.00 H new ATOM 381 N TYR A 27 -2.671 -5.051 -2.728 1.00 0.00 N ATOM 382 CA TYR A 27 -4.055 -5.308 -2.366 1.00 0.00 C ATOM 383 C TYR A 27 -4.569 -6.585 -3.034 1.00 0.00 C ATOM 384 O TYR A 27 -5.760 -6.709 -3.311 1.00 0.00 O ATOM 385 CB TYR A 27 -4.855 -4.115 -2.890 1.00 0.00 C ATOM 386 CG TYR A 27 -4.975 -2.960 -1.894 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.904 -3.020 -0.876 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.152 -1.858 -2.014 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.016 -1.932 0.062 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.264 -0.770 -1.076 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.190 -0.862 -0.085 1.00 0.00 C ATOM 392 OH TYR A 27 -5.297 0.165 0.801 1.00 0.00 O ATOM 0 H TYR A 27 -2.423 -5.317 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.153 -5.436 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.384 -3.747 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.855 -4.452 -3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.547 -3.882 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.424 -1.811 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.739 -1.966 0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.627 0.098 -1.158 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.645 0.861 0.576 1.00 0.00 H new ATOM 402 N GLN A 28 -3.644 -7.503 -3.274 1.00 0.00 N ATOM 403 CA GLN A 28 -3.988 -8.767 -3.903 1.00 0.00 C ATOM 404 C GLN A 28 -4.425 -8.537 -5.352 1.00 0.00 C ATOM 405 O GLN A 28 -5.427 -9.093 -5.797 1.00 0.00 O ATOM 406 CB GLN A 28 -5.078 -9.493 -3.111 1.00 0.00 C ATOM 407 CG GLN A 28 -4.469 -10.539 -2.175 1.00 0.00 C ATOM 408 CD GLN A 28 -5.543 -11.490 -1.643 1.00 0.00 C ATOM 409 OE1 GLN A 28 -6.550 -11.082 -1.086 1.00 0.00 O ATOM 410 NE2 GLN A 28 -5.274 -12.777 -1.845 1.00 0.00 N ATOM 0 H GLN A 28 -2.656 -7.396 -3.044 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.102 -9.402 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.653 -8.771 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.773 -9.975 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.706 -11.107 -2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.973 -10.042 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.413 -13.050 -2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.929 -13.491 -1.527 1.00 0.00 H new ATOM 419 N ARG A 29 -3.648 -7.718 -6.046 1.00 0.00 N ATOM 420 CA ARG A 29 -3.942 -7.408 -7.436 1.00 0.00 C ATOM 421 C ARG A 29 -2.753 -7.780 -8.325 1.00 0.00 C ATOM 422 O ARG A 29 -1.672 -7.207 -8.193 1.00 0.00 O ATOM 423 CB ARG A 29 -4.258 -5.923 -7.614 1.00 0.00 C ATOM 424 CG ARG A 29 -5.680 -5.724 -8.141 1.00 0.00 C ATOM 425 CD ARG A 29 -5.900 -4.279 -8.594 1.00 0.00 C ATOM 426 NE ARG A 29 -6.695 -3.547 -7.582 1.00 0.00 N ATOM 427 CZ ARG A 29 -6.818 -2.203 -7.544 1.00 0.00 C ATOM 428 NH1 ARG A 29 -6.198 -1.432 -8.463 1.00 0.00 N ATOM 429 NH2 ARG A 29 -7.554 -1.654 -6.596 1.00 0.00 N ATOM 0 H ARG A 29 -2.816 -7.260 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.816 -7.991 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.144 -5.407 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.544 -5.476 -8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.861 -6.402 -8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.399 -5.978 -7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.940 -3.785 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.416 -4.265 -9.554 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.180 -4.092 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.632 -1.864 -9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.296 -0.417 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.020 -2.244 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.657 -0.640 -6.553 1.00 0.00 H new ATOM 442 N THR A 30 -2.992 -8.736 -9.210 1.00 0.00 N ATOM 443 CA THR A 30 -1.955 -9.190 -10.121 1.00 0.00 C ATOM 444 C THR A 30 -1.816 -8.221 -11.296 1.00 0.00 C ATOM 445 O THR A 30 -2.814 -7.734 -11.825 1.00 0.00 O ATOM 446 CB THR A 30 -2.295 -10.620 -10.548 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.711 -10.608 -10.708 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.054 -11.637 -9.432 1.00 0.00 C ATOM 0 H THR A 30 -3.889 -9.209 -9.316 1.00 0.00 H new ATOM 0 HA THR A 30 -0.979 -9.204 -9.636 1.00 0.00 H new ATOM 0 HB THR A 30 -1.698 -10.890 -11.419 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.934 -10.704 -11.658 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.311 -12.635 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.004 -11.615 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.675 -11.387 -8.572 1.00 0.00 H new ATOM 456 N TRP A 31 -0.570 -7.970 -11.670 1.00 0.00 N ATOM 457 CA TRP A 31 -0.287 -7.068 -12.773 1.00 0.00 C ATOM 458 C TRP A 31 0.549 -7.830 -13.804 1.00 0.00 C ATOM 459 O TRP A 31 1.269 -8.765 -13.456 1.00 0.00 O ATOM 460 CB TRP A 31 0.394 -5.792 -12.277 1.00 0.00 C ATOM 461 CG TRP A 31 -0.523 -4.871 -11.469 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.949 -5.030 -10.209 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.113 -3.634 -11.921 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.769 -3.991 -9.818 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.870 -3.114 -10.891 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.010 -2.975 -13.159 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.584 -1.913 -10.993 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.728 -1.776 -13.245 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.495 -1.240 -12.218 1.00 0.00 C ATOM 0 H TRP A 31 0.255 -8.376 -11.229 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.211 -6.738 -13.248 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.251 -6.065 -11.661 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.780 -5.242 -13.135 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.684 -5.866 -9.579 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.218 -3.886 -8.908 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.423 -3.363 -13.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.171 -1.527 -10.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.682 -1.229 -14.175 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.021 -0.308 -12.364 1.00 0.00 H new ATOM 480 N VAL A 32 0.427 -7.401 -15.052 1.00 0.00 N ATOM 481 CA VAL A 32 1.161 -8.032 -16.135 1.00 0.00 C ATOM 482 C VAL A 32 2.041 -6.988 -16.825 1.00 0.00 C ATOM 483 O VAL A 32 1.575 -6.253 -17.694 1.00 0.00 O ATOM 484 CB VAL A 32 0.189 -8.721 -17.094 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.736 -8.721 -18.524 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.125 -10.145 -16.628 1.00 0.00 C ATOM 0 H VAL A 32 -0.169 -6.624 -15.337 1.00 0.00 H new ATOM 0 HA VAL A 32 1.820 -8.809 -15.747 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.742 -8.154 -17.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.025 -9.217 -19.185 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.885 -7.694 -18.856 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.687 -9.252 -18.550 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.818 -10.612 -17.327 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.796 -10.726 -16.587 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.577 -10.112 -15.637 1.00 0.00 H new ATOM 496 N ALA A 33 3.299 -6.954 -16.410 1.00 0.00 N ATOM 497 CA ALA A 33 4.249 -6.012 -16.977 1.00 0.00 C ATOM 498 C ALA A 33 4.813 -6.583 -18.280 1.00 0.00 C ATOM 499 O ALA A 33 5.659 -7.476 -18.255 1.00 0.00 O ATOM 500 CB ALA A 33 5.344 -5.711 -15.951 1.00 0.00 C ATOM 0 H ALA A 33 3.682 -7.564 -15.688 1.00 0.00 H new ATOM 0 HA ALA A 33 3.757 -5.069 -17.216 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.057 -5.004 -16.376 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.895 -5.280 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.861 -6.634 -15.689 1.00 0.00 H new ATOM 506 N VAL A 34 4.321 -6.046 -19.386 1.00 0.00 N ATOM 507 CA VAL A 34 4.765 -6.492 -20.696 1.00 0.00 C ATOM 508 C VAL A 34 5.951 -5.637 -21.146 1.00 0.00 C ATOM 509 O VAL A 34 5.805 -4.765 -22.000 1.00 0.00 O ATOM 510 CB VAL A 34 3.597 -6.459 -21.683 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.081 -6.701 -23.114 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.519 -7.471 -21.291 1.00 0.00 C ATOM 0 H VAL A 34 3.619 -5.306 -19.403 1.00 0.00 H new ATOM 0 HA VAL A 34 5.107 -7.526 -20.652 1.00 0.00 H new ATOM 0 HB VAL A 34 3.153 -5.464 -21.643 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.231 -6.672 -23.795 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.795 -5.926 -23.392 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.562 -7.677 -23.175 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.700 -7.427 -22.009 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.945 -8.474 -21.288 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.142 -7.234 -20.296 1.00 0.00 H new ATOM 522 N VAL A 35 7.101 -5.918 -20.550 1.00 0.00 N ATOM 523 CA VAL A 35 8.312 -5.187 -20.879 1.00 0.00 C ATOM 524 C VAL A 35 8.384 -4.982 -22.393 1.00 0.00 C ATOM 525 O VAL A 35 8.561 -5.939 -23.145 1.00 0.00 O ATOM 526 CB VAL A 35 9.535 -5.916 -20.316 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.511 -7.398 -20.696 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.832 -5.251 -20.779 1.00 0.00 C ATOM 0 H VAL A 35 7.219 -6.642 -19.841 1.00 0.00 H new ATOM 0 HA VAL A 35 8.298 -4.200 -20.417 1.00 0.00 H new ATOM 0 HB VAL A 35 9.495 -5.848 -19.229 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.390 -7.893 -20.284 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.611 -7.862 -20.293 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.515 -7.495 -21.782 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.685 -5.789 -20.365 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.883 -5.273 -21.868 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.853 -4.217 -20.435 1.00 0.00 H new ATOM 538 N GLU A 36 8.243 -3.727 -22.796 1.00 0.00 N ATOM 539 CA GLU A 36 8.289 -3.385 -24.207 1.00 0.00 C ATOM 540 C GLU A 36 9.428 -2.399 -24.478 1.00 0.00 C ATOM 541 O GLU A 36 9.242 -1.187 -24.375 1.00 0.00 O ATOM 542 CB GLU A 36 6.948 -2.816 -24.677 1.00 0.00 C ATOM 543 CG GLU A 36 5.883 -3.912 -24.750 1.00 0.00 C ATOM 544 CD GLU A 36 5.121 -3.848 -26.075 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.197 -4.790 -26.879 1.00 0.00 O ATOM 546 OE2 GLU A 36 4.431 -2.774 -26.256 1.00 0.00 O ATOM 0 H GLU A 36 8.097 -2.935 -22.170 1.00 0.00 H new ATOM 0 HA GLU A 36 8.480 -4.295 -24.775 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.622 -2.032 -23.994 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.068 -2.355 -25.657 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.354 -4.889 -24.644 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.186 -3.802 -23.920 1.00 0.00 H new ATOM 554 N GLU A 37 10.581 -2.956 -24.818 1.00 0.00 N ATOM 555 CA GLU A 37 11.749 -2.141 -25.104 1.00 0.00 C ATOM 556 C GLU A 37 11.395 -1.036 -26.101 1.00 0.00 C ATOM 557 O GLU A 37 11.109 -1.314 -27.265 1.00 0.00 O ATOM 558 CB GLU A 37 12.903 -3.001 -25.625 1.00 0.00 C ATOM 559 CG GLU A 37 12.390 -4.096 -26.561 1.00 0.00 C ATOM 560 CD GLU A 37 13.464 -4.498 -27.575 1.00 0.00 C ATOM 561 OE1 GLU A 37 14.638 -4.654 -27.206 1.00 0.00 O ATOM 562 OE2 GLU A 37 13.042 -4.650 -28.784 1.00 0.00 O ATOM 0 H GLU A 37 10.731 -3.961 -24.902 1.00 0.00 H new ATOM 0 HA GLU A 37 12.078 -1.673 -24.176 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.620 -2.373 -26.153 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.432 -3.453 -24.786 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.091 -4.967 -25.978 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.502 -3.744 -27.086 1.00 0.00 H new ATOM 570 N GLU A 38 11.425 0.193 -25.609 1.00 0.00 N ATOM 571 CA GLU A 38 11.110 1.341 -26.443 1.00 0.00 C ATOM 572 C GLU A 38 12.223 1.576 -27.466 1.00 0.00 C ATOM 573 O GLU A 38 13.322 1.043 -27.326 1.00 0.00 O ATOM 574 CB GLU A 38 10.876 2.590 -25.590 1.00 0.00 C ATOM 575 CG GLU A 38 9.494 2.555 -24.935 1.00 0.00 C ATOM 576 CD GLU A 38 8.417 3.060 -25.897 1.00 0.00 C ATOM 577 OE1 GLU A 38 7.735 2.252 -26.544 1.00 0.00 O ATOM 578 OE2 GLU A 38 8.300 4.344 -25.959 1.00 0.00 O ATOM 0 H GLU A 38 11.663 0.420 -24.643 1.00 0.00 H new ATOM 0 HA GLU A 38 10.187 1.131 -26.983 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.645 2.659 -24.821 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.966 3.481 -26.211 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.261 1.536 -24.625 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.499 3.169 -24.035 1.00 0.00 H new ATOM 586 N THR A 39 11.899 2.375 -28.472 1.00 0.00 N ATOM 587 CA THR A 39 12.858 2.688 -29.518 1.00 0.00 C ATOM 588 C THR A 39 14.191 3.125 -28.907 1.00 0.00 C ATOM 589 O THR A 39 15.254 2.816 -29.440 1.00 0.00 O ATOM 590 CB THR A 39 12.233 3.743 -30.433 1.00 0.00 C ATOM 591 OG1 THR A 39 11.240 3.027 -31.161 1.00 0.00 O ATOM 592 CG2 THR A 39 13.204 4.234 -31.508 1.00 0.00 C ATOM 0 H THR A 39 10.986 2.815 -28.585 1.00 0.00 H new ATOM 0 HA THR A 39 13.086 1.809 -30.121 1.00 0.00 H new ATOM 0 HB THR A 39 11.897 4.590 -29.835 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.784 3.637 -31.778 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.711 4.981 -32.130 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.079 4.678 -31.033 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.515 3.394 -32.128 1.00 0.00 H new ATOM 600 N SER A 40 14.089 3.839 -27.795 1.00 0.00 N ATOM 601 CA SER A 40 15.272 4.323 -27.105 1.00 0.00 C ATOM 602 C SER A 40 14.974 4.499 -25.615 1.00 0.00 C ATOM 603 O SER A 40 15.434 5.458 -24.995 1.00 0.00 O ATOM 604 CB SER A 40 15.761 5.642 -27.708 1.00 0.00 C ATOM 605 OG SER A 40 17.104 5.550 -28.174 1.00 0.00 O ATOM 0 H SER A 40 13.205 4.094 -27.355 1.00 0.00 H new ATOM 0 HA SER A 40 16.064 3.584 -27.226 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.109 5.927 -28.534 1.00 0.00 H new ATOM 0 HB3 SER A 40 15.690 6.431 -26.959 1.00 0.00 H new ATOM 0 HG SER A 40 17.378 6.411 -28.553 1.00 0.00 H new ATOM 611 N PHE A 41 14.206 3.560 -25.082 1.00 0.00 N ATOM 612 CA PHE A 41 13.842 3.599 -23.676 1.00 0.00 C ATOM 613 C PHE A 41 13.356 2.230 -23.197 1.00 0.00 C ATOM 614 O PHE A 41 13.355 1.265 -23.961 1.00 0.00 O ATOM 615 CB PHE A 41 12.702 4.609 -23.537 1.00 0.00 C ATOM 616 CG PHE A 41 13.170 6.050 -23.323 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.879 6.376 -22.209 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.877 7.004 -24.247 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.313 7.714 -22.010 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.311 8.342 -24.048 1.00 0.00 C ATOM 621 CZ PHE A 41 14.020 8.669 -22.934 1.00 0.00 C ATOM 0 H PHE A 41 13.826 2.767 -25.599 1.00 0.00 H new ATOM 0 HA PHE A 41 14.708 3.878 -23.075 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.083 4.568 -24.433 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.070 4.315 -22.699 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.112 5.618 -21.476 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.315 6.744 -25.132 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.876 7.973 -21.125 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.078 9.100 -24.781 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.350 9.686 -22.783 1.00 0.00 H new ATOM 631 N LEU A 42 12.953 2.189 -21.936 1.00 0.00 N ATOM 632 CA LEU A 42 12.464 0.953 -21.347 1.00 0.00 C ATOM 633 C LEU A 42 11.048 1.176 -20.811 1.00 0.00 C ATOM 634 O LEU A 42 10.862 1.850 -19.799 1.00 0.00 O ATOM 635 CB LEU A 42 13.446 0.436 -20.293 1.00 0.00 C ATOM 636 CG LEU A 42 14.735 -0.189 -20.829 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.443 -1.492 -21.577 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.510 0.806 -21.694 1.00 0.00 C ATOM 0 H LEU A 42 12.955 2.991 -21.306 1.00 0.00 H new ATOM 0 HA LEU A 42 12.401 0.169 -22.102 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.713 1.264 -19.636 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.934 -0.305 -19.680 1.00 0.00 H new ATOM 0 HG LEU A 42 15.371 -0.440 -19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.376 -1.916 -21.948 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.966 -2.201 -20.900 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.778 -1.288 -22.416 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.422 0.335 -22.062 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.893 1.111 -22.539 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.768 1.682 -21.099 1.00 0.00 H new ATOM 650 N ARG A 43 10.086 0.595 -21.513 1.00 0.00 N ATOM 651 CA ARG A 43 8.692 0.721 -21.120 1.00 0.00 C ATOM 652 C ARG A 43 8.142 -0.635 -20.674 1.00 0.00 C ATOM 653 O ARG A 43 8.228 -1.617 -21.411 1.00 0.00 O ATOM 654 CB ARG A 43 7.841 1.254 -22.275 1.00 0.00 C ATOM 655 CG ARG A 43 6.362 1.299 -21.890 1.00 0.00 C ATOM 656 CD ARG A 43 5.610 2.344 -22.717 1.00 0.00 C ATOM 657 NE ARG A 43 5.635 1.969 -24.148 1.00 0.00 N ATOM 658 CZ ARG A 43 4.870 2.551 -25.096 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.012 3.542 -24.771 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.973 2.138 -26.345 1.00 0.00 N ATOM 0 H ARG A 43 10.244 0.036 -22.351 1.00 0.00 H new ATOM 0 HA ARG A 43 8.643 1.427 -20.291 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.179 2.253 -22.550 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.973 0.620 -23.152 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.913 0.318 -22.043 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.266 1.532 -20.829 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.579 2.421 -22.371 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.066 3.325 -22.581 1.00 0.00 H new ATOM 0 HE ARG A 43 6.270 1.224 -24.436 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.938 3.856 -23.803 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.438 3.977 -25.493 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.624 1.389 -26.583 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.402 2.567 -27.073 1.00 0.00 H new ATOM 673 N ALA A 44 7.589 -0.647 -19.471 1.00 0.00 N ATOM 674 CA ALA A 44 7.024 -1.866 -18.918 1.00 0.00 C ATOM 675 C ALA A 44 5.526 -1.667 -18.681 1.00 0.00 C ATOM 676 O ALA A 44 5.120 -1.181 -17.625 1.00 0.00 O ATOM 677 CB ALA A 44 7.772 -2.239 -17.637 1.00 0.00 C ATOM 0 H ALA A 44 7.520 0.169 -18.863 1.00 0.00 H new ATOM 0 HA ALA A 44 7.140 -2.694 -19.617 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.349 -3.153 -17.222 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.826 -2.398 -17.864 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.675 -1.432 -16.911 1.00 0.00 H new ATOM 683 N ARG A 45 4.745 -2.052 -19.679 1.00 0.00 N ATOM 684 CA ARG A 45 3.300 -1.922 -19.592 1.00 0.00 C ATOM 685 C ARG A 45 2.742 -2.890 -18.548 1.00 0.00 C ATOM 686 O ARG A 45 2.677 -4.096 -18.786 1.00 0.00 O ATOM 687 CB ARG A 45 2.640 -2.203 -20.944 1.00 0.00 C ATOM 688 CG ARG A 45 1.116 -2.126 -20.835 1.00 0.00 C ATOM 689 CD ARG A 45 0.451 -3.217 -21.678 1.00 0.00 C ATOM 690 NE ARG A 45 1.303 -3.548 -22.841 1.00 0.00 N ATOM 691 CZ ARG A 45 1.319 -2.845 -23.993 1.00 0.00 C ATOM 692 NH1 ARG A 45 0.528 -1.762 -24.146 1.00 0.00 N ATOM 693 NH2 ARG A 45 2.121 -3.231 -24.967 1.00 0.00 N ATOM 0 H ARG A 45 5.085 -2.454 -20.552 1.00 0.00 H new ATOM 0 HA ARG A 45 3.076 -0.897 -19.297 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.993 -1.482 -21.682 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.934 -3.191 -21.298 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.816 -2.233 -19.793 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.773 -1.146 -21.166 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.288 -4.108 -21.071 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.528 -2.879 -22.018 1.00 0.00 H new ATOM 0 HE ARG A 45 1.917 -4.359 -22.768 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.088 -1.469 -23.388 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.546 -1.236 -25.020 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.717 -4.050 -24.843 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.145 -2.711 -25.844 1.00 0.00 H new ATOM 706 N VAL A 46 2.352 -2.328 -17.413 1.00 0.00 N ATOM 707 CA VAL A 46 1.800 -3.127 -16.333 1.00 0.00 C ATOM 708 C VAL A 46 0.274 -3.146 -16.446 1.00 0.00 C ATOM 709 O VAL A 46 -0.384 -2.141 -16.186 1.00 0.00 O ATOM 710 CB VAL A 46 2.293 -2.595 -14.985 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.422 -3.728 -13.964 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.616 -1.844 -15.142 1.00 0.00 C ATOM 0 H VAL A 46 2.408 -1.328 -17.218 1.00 0.00 H new ATOM 0 HA VAL A 46 2.144 -4.159 -16.407 1.00 0.00 H new ATOM 0 HB VAL A 46 1.551 -1.889 -14.611 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.774 -3.324 -13.015 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.450 -4.200 -13.820 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.134 -4.468 -14.330 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.944 -1.477 -14.169 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.371 -2.517 -15.549 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.478 -1.002 -15.820 1.00 0.00 H new ATOM 722 N GLN A 47 -0.244 -4.302 -16.836 1.00 0.00 N ATOM 723 CA GLN A 47 -1.679 -4.466 -16.987 1.00 0.00 C ATOM 724 C GLN A 47 -2.241 -5.311 -15.842 1.00 0.00 C ATOM 725 O GLN A 47 -1.727 -6.391 -15.554 1.00 0.00 O ATOM 726 CB GLN A 47 -2.021 -5.084 -18.344 1.00 0.00 C ATOM 727 CG GLN A 47 -3.398 -5.750 -18.313 1.00 0.00 C ATOM 728 CD GLN A 47 -4.017 -5.793 -19.711 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.383 -6.838 -20.224 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.115 -4.603 -20.297 1.00 0.00 N ATOM 0 H GLN A 47 0.305 -5.134 -17.052 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.143 -3.481 -16.946 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.004 -4.312 -19.114 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.263 -5.820 -18.614 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.307 -6.763 -17.920 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.055 -5.203 -17.637 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.789 -3.767 -19.812 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.516 -4.526 -21.232 1.00 0.00 H new ATOM 739 N GLN A 48 -3.287 -4.787 -15.221 1.00 0.00 N ATOM 740 CA GLN A 48 -3.924 -5.482 -14.115 1.00 0.00 C ATOM 741 C GLN A 48 -5.000 -6.436 -14.635 1.00 0.00 C ATOM 742 O GLN A 48 -5.945 -6.011 -15.299 1.00 0.00 O ATOM 743 CB GLN A 48 -4.513 -4.487 -13.111 1.00 0.00 C ATOM 744 CG GLN A 48 -5.033 -5.209 -11.865 1.00 0.00 C ATOM 745 CD GLN A 48 -6.557 -5.343 -11.906 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.295 -4.400 -11.672 1.00 0.00 O ATOM 747 NE2 GLN A 48 -6.984 -6.564 -12.215 1.00 0.00 N ATOM 0 H GLN A 48 -3.709 -3.890 -15.462 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.167 -6.069 -13.596 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.752 -3.761 -12.824 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.325 -3.930 -13.579 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.579 -6.198 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.736 -4.660 -10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.311 -7.308 -12.399 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.984 -6.756 -12.268 1.00 0.00 H new ATOM 756 N ILE A 49 -4.821 -7.709 -14.316 1.00 0.00 N ATOM 757 CA ILE A 49 -5.763 -8.729 -14.745 1.00 0.00 C ATOM 758 C ILE A 49 -5.817 -9.841 -13.697 1.00 0.00 C ATOM 759 O ILE A 49 -4.923 -9.954 -12.859 1.00 0.00 O ATOM 760 CB ILE A 49 -5.414 -9.224 -16.150 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.055 -9.929 -16.160 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.475 -8.082 -17.166 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.913 -8.915 -16.260 1.00 0.00 C ATOM 0 H ILE A 49 -4.037 -8.058 -13.765 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.767 -8.312 -14.819 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.161 -9.959 -16.449 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.942 -10.522 -15.252 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.006 -10.621 -17.001 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.223 -8.462 -18.156 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.481 -7.664 -17.184 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.764 -7.305 -16.883 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.959 -9.441 -16.265 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.016 -8.341 -17.181 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.950 -8.240 -15.405 1.00 0.00 H new ATOM 775 N GLN A 50 -6.876 -10.634 -13.776 1.00 0.00 N ATOM 776 CA GLN A 50 -7.059 -11.734 -12.843 1.00 0.00 C ATOM 777 C GLN A 50 -6.399 -13.004 -13.385 1.00 0.00 C ATOM 778 O GLN A 50 -6.899 -13.613 -14.329 1.00 0.00 O ATOM 779 CB GLN A 50 -8.543 -11.967 -12.556 1.00 0.00 C ATOM 780 CG GLN A 50 -9.162 -10.757 -11.853 1.00 0.00 C ATOM 781 CD GLN A 50 -8.324 -10.338 -10.643 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.453 -10.869 -9.553 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.462 -9.357 -10.897 1.00 0.00 N ATOM 0 H GLN A 50 -7.616 -10.537 -14.471 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.577 -11.471 -11.901 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.072 -12.160 -13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.662 -12.854 -11.934 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.238 -9.925 -12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.176 -10.997 -11.532 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.406 -8.957 -11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.857 -9.005 -10.155 1.00 0.00 H new ATOM 792 N VAL A 51 -5.286 -13.364 -12.764 1.00 0.00 N ATOM 793 CA VAL A 51 -4.552 -14.551 -13.172 1.00 0.00 C ATOM 794 C VAL A 51 -3.811 -15.127 -11.963 1.00 0.00 C ATOM 795 O VAL A 51 -3.266 -14.382 -11.151 1.00 0.00 O ATOM 796 CB VAL A 51 -3.621 -14.214 -14.338 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.422 -13.848 -15.590 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.651 -13.094 -13.960 1.00 0.00 C ATOM 0 H VAL A 51 -4.874 -12.855 -11.982 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.236 -15.320 -13.531 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.032 -15.103 -14.565 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.737 -13.613 -16.404 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.052 -14.690 -15.878 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.048 -12.981 -15.381 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.001 -12.874 -14.807 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.214 -12.200 -13.693 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.046 -13.408 -13.110 1.00 0.00 H new ATOM 808 N PRO A 52 -3.815 -16.485 -11.881 1.00 0.00 N ATOM 809 CA PRO A 52 -3.152 -17.170 -10.784 1.00 0.00 C ATOM 810 C PRO A 52 -1.633 -17.151 -10.966 1.00 0.00 C ATOM 811 O PRO A 52 -1.134 -17.351 -12.073 1.00 0.00 O ATOM 812 CB PRO A 52 -3.733 -18.574 -10.789 1.00 0.00 C ATOM 813 CG PRO A 52 -4.351 -18.765 -12.164 1.00 0.00 C ATOM 814 CD PRO A 52 -4.450 -17.400 -12.824 1.00 0.00 C ATOM 0 HA PRO A 52 -3.321 -16.687 -9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.958 -19.318 -10.602 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.481 -18.690 -10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.740 -19.437 -12.767 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.338 -19.220 -12.079 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.943 -17.389 -13.789 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.488 -17.123 -13.006 1.00 0.00 H new ATOM 822 N LEU A 53 -0.940 -16.909 -9.863 1.00 0.00 N ATOM 823 CA LEU A 53 0.512 -16.861 -9.886 1.00 0.00 C ATOM 824 C LEU A 53 1.066 -18.285 -9.803 1.00 0.00 C ATOM 825 O LEU A 53 0.934 -18.947 -8.774 1.00 0.00 O ATOM 826 CB LEU A 53 1.035 -15.932 -8.790 1.00 0.00 C ATOM 827 CG LEU A 53 0.484 -14.505 -8.800 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.091 -14.130 -7.433 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.547 -13.509 -9.267 1.00 0.00 C ATOM 0 H LEU A 53 -1.357 -16.744 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 53 0.865 -16.436 -10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.809 -16.381 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.121 -15.881 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.335 -14.461 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.476 -13.111 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.900 -14.815 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.692 -14.197 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.129 -12.503 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.403 -13.548 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.868 -13.766 -10.276 1.00 0.00 H new ATOM 841 N GLY A 54 1.675 -18.715 -10.898 1.00 0.00 N ATOM 842 CA GLY A 54 2.250 -20.048 -10.961 1.00 0.00 C ATOM 843 C GLY A 54 3.460 -20.168 -10.031 1.00 0.00 C ATOM 844 O GLY A 54 3.305 -20.293 -8.818 1.00 0.00 O ATOM 0 H GLY A 54 1.783 -18.164 -11.749 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.498 -20.786 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.550 -20.270 -11.985 1.00 0.00 H new ATOM 848 N ASP A 55 4.638 -20.124 -10.638 1.00 0.00 N ATOM 849 CA ASP A 55 5.873 -20.225 -9.881 1.00 0.00 C ATOM 850 C ASP A 55 6.402 -18.820 -9.586 1.00 0.00 C ATOM 851 O ASP A 55 5.976 -17.850 -10.210 1.00 0.00 O ATOM 852 CB ASP A 55 6.944 -20.978 -10.673 1.00 0.00 C ATOM 853 CG ASP A 55 8.386 -20.577 -10.352 1.00 0.00 C ATOM 854 OD1 ASP A 55 8.884 -19.548 -10.831 1.00 0.00 O ATOM 855 OD2 ASP A 55 9.013 -21.383 -9.564 1.00 0.00 O ATOM 0 H ASP A 55 4.762 -20.020 -11.645 1.00 0.00 H new ATOM 0 HA ASP A 55 5.660 -20.765 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.829 -22.046 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.767 -20.820 -11.737 1.00 0.00 H new ATOM 861 N ALA A 56 7.323 -18.757 -8.635 1.00 0.00 N ATOM 862 CA ALA A 56 7.914 -17.487 -8.250 1.00 0.00 C ATOM 863 C ALA A 56 9.424 -17.665 -8.075 1.00 0.00 C ATOM 864 O ALA A 56 9.975 -17.319 -7.031 1.00 0.00 O ATOM 865 CB ALA A 56 7.236 -16.971 -6.980 1.00 0.00 C ATOM 0 H ALA A 56 7.674 -19.565 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 56 7.758 -16.740 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.680 -16.018 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.171 -16.833 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.373 -17.693 -6.175 1.00 0.00 H new ATOM 871 N ALA A 57 10.049 -18.204 -9.111 1.00 0.00 N ATOM 872 CA ALA A 57 11.483 -18.432 -9.083 1.00 0.00 C ATOM 873 C ALA A 57 12.202 -17.202 -9.644 1.00 0.00 C ATOM 874 O ALA A 57 12.259 -16.161 -8.991 1.00 0.00 O ATOM 875 CB ALA A 57 11.813 -19.705 -9.865 1.00 0.00 C ATOM 0 H ALA A 57 9.588 -18.489 -9.975 1.00 0.00 H new ATOM 0 HA ALA A 57 11.828 -18.578 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.889 -19.876 -9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.302 -20.554 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.483 -19.593 -10.898 1.00 0.00 H new ATOM 881 N ARG A 58 12.732 -17.362 -10.847 1.00 0.00 N ATOM 882 CA ARG A 58 13.443 -16.278 -11.502 1.00 0.00 C ATOM 883 C ARG A 58 12.994 -16.152 -12.959 1.00 0.00 C ATOM 884 O ARG A 58 13.808 -16.258 -13.875 1.00 0.00 O ATOM 885 CB ARG A 58 14.956 -16.508 -11.460 1.00 0.00 C ATOM 886 CG ARG A 58 15.455 -16.613 -10.018 1.00 0.00 C ATOM 887 CD ARG A 58 16.404 -17.802 -9.852 1.00 0.00 C ATOM 888 NE ARG A 58 16.221 -18.413 -8.516 1.00 0.00 N ATOM 889 CZ ARG A 58 16.672 -17.867 -7.367 1.00 0.00 C ATOM 890 NH1 ARG A 58 17.337 -16.693 -7.380 1.00 0.00 N ATOM 891 NH2 ARG A 58 16.452 -18.499 -6.228 1.00 0.00 N ATOM 0 H ARG A 58 12.683 -18.227 -11.386 1.00 0.00 H new ATOM 0 HA ARG A 58 13.211 -15.358 -10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.204 -17.421 -12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.466 -15.689 -11.966 1.00 0.00 H new ATOM 0 HG2 ARG A 58 15.967 -15.692 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.606 -16.723 -9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.212 -18.542 -10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.436 -17.474 -9.973 1.00 0.00 H new ATOM 0 HE ARG A 58 15.723 -19.302 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.503 -16.210 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.674 -16.288 -6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.948 -19.386 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.786 -18.100 -5.351 1.00 0.00 H new ATOM 904 N PRO A 59 11.664 -15.923 -13.132 1.00 0.00 N ATOM 905 CA PRO A 59 11.097 -15.780 -14.462 1.00 0.00 C ATOM 906 C PRO A 59 11.445 -14.418 -15.064 1.00 0.00 C ATOM 907 O PRO A 59 12.205 -14.337 -16.028 1.00 0.00 O ATOM 908 CB PRO A 59 9.601 -15.981 -14.275 1.00 0.00 C ATOM 909 CG PRO A 59 9.334 -15.766 -12.793 1.00 0.00 C ATOM 910 CD PRO A 59 10.671 -15.793 -12.071 1.00 0.00 C ATOM 0 HA PRO A 59 11.499 -16.505 -15.170 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.033 -15.275 -14.881 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.299 -16.981 -14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.831 -14.813 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.676 -16.544 -12.407 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.827 -14.882 -11.493 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.727 -16.628 -11.372 1.00 0.00 H new ATOM 918 N SER A 60 10.874 -13.380 -14.471 1.00 0.00 N ATOM 919 CA SER A 60 11.115 -12.025 -14.937 1.00 0.00 C ATOM 920 C SER A 60 12.433 -11.501 -14.366 1.00 0.00 C ATOM 921 O SER A 60 12.613 -10.293 -14.220 1.00 0.00 O ATOM 922 CB SER A 60 9.961 -11.097 -14.551 1.00 0.00 C ATOM 923 OG SER A 60 9.422 -10.416 -15.680 1.00 0.00 O ATOM 0 H SER A 60 10.245 -13.450 -13.671 1.00 0.00 H new ATOM 0 HA SER A 60 11.182 -12.044 -16.025 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.175 -11.678 -14.069 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.311 -10.367 -13.821 1.00 0.00 H new ATOM 0 HG SER A 60 9.511 -9.449 -15.552 1.00 0.00 H new ATOM 929 N HIS A 61 13.320 -12.435 -14.056 1.00 0.00 N ATOM 930 CA HIS A 61 14.616 -12.082 -13.503 1.00 0.00 C ATOM 931 C HIS A 61 15.719 -12.477 -14.486 1.00 0.00 C ATOM 932 O HIS A 61 16.722 -11.777 -14.614 1.00 0.00 O ATOM 933 CB HIS A 61 14.804 -12.706 -12.119 1.00 0.00 C ATOM 934 CG HIS A 61 13.617 -12.535 -11.202 1.00 0.00 C ATOM 935 ND1 HIS A 61 13.436 -13.295 -10.059 1.00 0.00 N ATOM 936 CD2 HIS A 61 12.554 -11.683 -11.270 1.00 0.00 C ATOM 937 CE1 HIS A 61 12.312 -12.911 -9.474 1.00 0.00 C ATOM 938 NE2 HIS A 61 11.765 -11.912 -10.226 1.00 0.00 N ATOM 0 H HIS A 61 13.166 -13.436 -14.177 1.00 0.00 H new ATOM 0 HA HIS A 61 14.673 -11.003 -13.362 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.009 -13.770 -12.236 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.681 -12.262 -11.648 1.00 0.00 H new ATOM 0 HD1 HIS A 61 14.063 -14.027 -9.724 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.383 -10.947 -12.042 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.900 -13.317 -8.562 1.00 0.00 H new ATOM 946 N LEU A 62 15.496 -13.598 -15.157 1.00 0.00 N ATOM 947 CA LEU A 62 16.458 -14.095 -16.126 1.00 0.00 C ATOM 948 C LEU A 62 15.947 -13.808 -17.539 1.00 0.00 C ATOM 949 O LEU A 62 16.735 -13.559 -18.449 1.00 0.00 O ATOM 950 CB LEU A 62 16.762 -15.572 -15.870 1.00 0.00 C ATOM 951 CG LEU A 62 17.827 -15.864 -14.810 1.00 0.00 C ATOM 952 CD1 LEU A 62 17.588 -17.225 -14.153 1.00 0.00 C ATOM 953 CD2 LEU A 62 19.233 -15.750 -15.400 1.00 0.00 C ATOM 0 H LEU A 62 14.663 -14.176 -15.048 1.00 0.00 H new ATOM 0 HA LEU A 62 17.410 -13.575 -16.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.837 -16.067 -15.573 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.079 -16.025 -16.809 1.00 0.00 H new ATOM 0 HG LEU A 62 17.745 -15.111 -14.027 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.359 -17.408 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.608 -17.231 -13.675 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.627 -18.007 -14.911 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.971 -15.962 -14.626 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.345 -16.466 -16.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.387 -14.740 -15.781 1.00 0.00 H new ATOM 965 N LEU A 63 14.630 -13.855 -17.677 1.00 0.00 N ATOM 966 CA LEU A 63 14.004 -13.604 -18.965 1.00 0.00 C ATOM 967 C LEU A 63 13.971 -12.097 -19.226 1.00 0.00 C ATOM 968 O LEU A 63 14.466 -11.630 -20.251 1.00 0.00 O ATOM 969 CB LEU A 63 12.627 -14.269 -19.030 1.00 0.00 C ATOM 970 CG LEU A 63 12.625 -15.791 -19.184 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.152 -16.204 -20.561 1.00 0.00 C ATOM 972 CD2 LEU A 63 13.403 -16.459 -18.049 1.00 0.00 C ATOM 0 H LEU A 63 13.980 -14.063 -16.919 1.00 0.00 H new ATOM 0 HA LEU A 63 14.589 -14.055 -19.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.079 -14.015 -18.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.076 -13.838 -19.866 1.00 0.00 H new ATOM 0 HG LEU A 63 11.594 -16.139 -19.116 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.140 -17.291 -20.644 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.519 -15.774 -21.337 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.173 -15.842 -20.683 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.386 -17.541 -18.183 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.435 -16.109 -18.060 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.944 -16.204 -17.094 1.00 0.00 H new ATOM 984 N THR A 64 13.384 -11.377 -18.282 1.00 0.00 N ATOM 985 CA THR A 64 13.279 -9.933 -18.397 1.00 0.00 C ATOM 986 C THR A 64 14.655 -9.284 -18.231 1.00 0.00 C ATOM 987 O THR A 64 15.244 -8.813 -19.203 1.00 0.00 O ATOM 988 CB THR A 64 12.252 -9.449 -17.371 1.00 0.00 C ATOM 989 OG1 THR A 64 11.019 -9.997 -17.831 1.00 0.00 O ATOM 990 CG2 THR A 64 12.032 -7.936 -17.431 1.00 0.00 C ATOM 0 H THR A 64 12.976 -11.768 -17.433 1.00 0.00 H new ATOM 0 HA THR A 64 12.932 -9.640 -19.388 1.00 0.00 H new ATOM 0 HB THR A 64 12.579 -9.728 -16.370 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.465 -10.247 -17.062 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.294 -7.646 -16.683 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.973 -7.423 -17.231 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.672 -7.660 -18.422 1.00 0.00 H new ATOM 998 N SER A 65 15.127 -9.281 -16.994 1.00 0.00 N ATOM 999 CA SER A 65 16.423 -8.698 -16.688 1.00 0.00 C ATOM 1000 C SER A 65 16.380 -7.184 -16.905 1.00 0.00 C ATOM 1001 O SER A 65 17.350 -6.594 -17.376 1.00 0.00 O ATOM 1002 CB SER A 65 17.524 -9.326 -17.545 1.00 0.00 C ATOM 1003 OG SER A 65 17.741 -8.600 -18.751 1.00 0.00 O ATOM 0 H SER A 65 14.636 -9.673 -16.191 1.00 0.00 H new ATOM 0 HA SER A 65 16.652 -8.902 -15.642 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.451 -9.364 -16.973 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.255 -10.355 -17.785 1.00 0.00 H new ATOM 0 HG SER A 65 16.891 -8.226 -19.065 1.00 0.00 H new ATOM 1009 N GLN A 66 15.245 -6.601 -16.551 1.00 0.00 N ATOM 1010 CA GLN A 66 15.063 -5.166 -16.701 1.00 0.00 C ATOM 1011 C GLN A 66 14.180 -4.623 -15.575 1.00 0.00 C ATOM 1012 O GLN A 66 14.633 -3.824 -14.756 1.00 0.00 O ATOM 1013 CB GLN A 66 14.474 -4.828 -18.071 1.00 0.00 C ATOM 1014 CG GLN A 66 15.552 -4.867 -19.157 1.00 0.00 C ATOM 1015 CD GLN A 66 15.394 -6.106 -20.042 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.298 -6.910 -20.195 1.00 0.00 O ATOM 1017 NE2 GLN A 66 14.198 -6.213 -20.613 1.00 0.00 N ATOM 0 H GLN A 66 14.442 -7.095 -16.161 1.00 0.00 H new ATOM 0 HA GLN A 66 16.040 -4.687 -16.634 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.682 -5.536 -18.315 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.019 -3.838 -18.041 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.489 -3.968 -19.770 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.539 -4.869 -18.695 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.486 -5.503 -20.442 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.993 -7.005 -21.222 1.00 0.00 H new ATOM 1026 N LEU A 67 12.936 -5.078 -15.570 1.00 0.00 N ATOM 1027 CA LEU A 67 11.986 -4.647 -14.559 1.00 0.00 C ATOM 1028 C LEU A 67 12.530 -4.995 -13.172 1.00 0.00 C ATOM 1029 O LEU A 67 13.179 -6.025 -12.996 1.00 0.00 O ATOM 1030 CB LEU A 67 10.601 -5.235 -14.841 1.00 0.00 C ATOM 1031 CG LEU A 67 9.881 -4.692 -16.077 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.792 -4.738 -17.306 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.564 -5.431 -16.313 1.00 0.00 C ATOM 0 H LEU A 67 12.564 -5.741 -16.250 1.00 0.00 H new ATOM 0 HA LEU A 67 11.861 -3.565 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.702 -6.315 -14.949 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.969 -5.059 -13.970 1.00 0.00 H new ATOM 0 HG LEU A 67 9.635 -3.646 -15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.256 -4.347 -18.171 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.679 -4.132 -17.124 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.090 -5.768 -17.500 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.073 -5.025 -17.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.764 -6.492 -16.463 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.915 -5.303 -15.447 1.00 0.00 H new ATOM 1045 N PRO A 68 12.238 -4.093 -12.197 1.00 0.00 N ATOM 1046 CA PRO A 68 12.692 -4.294 -10.831 1.00 0.00 C ATOM 1047 C PRO A 68 11.862 -5.371 -10.131 1.00 0.00 C ATOM 1048 O PRO A 68 10.685 -5.549 -10.436 1.00 0.00 O ATOM 1049 CB PRO A 68 12.571 -2.929 -10.172 1.00 0.00 C ATOM 1050 CG PRO A 68 11.624 -2.125 -11.048 1.00 0.00 C ATOM 1051 CD PRO A 68 11.471 -2.862 -12.368 1.00 0.00 C ATOM 0 HA PRO A 68 13.718 -4.658 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.183 -3.018 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.544 -2.443 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.656 -2.012 -10.560 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.017 -1.122 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.424 -3.075 -12.584 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.854 -2.269 -13.199 1.00 0.00 H new ATOM 1059 N LEU A 69 12.510 -6.062 -9.204 1.00 0.00 N ATOM 1060 CA LEU A 69 11.847 -7.117 -8.457 1.00 0.00 C ATOM 1061 C LEU A 69 10.647 -6.531 -7.710 1.00 0.00 C ATOM 1062 O LEU A 69 9.712 -7.252 -7.368 1.00 0.00 O ATOM 1063 CB LEU A 69 12.844 -7.838 -7.548 1.00 0.00 C ATOM 1064 CG LEU A 69 12.816 -9.367 -7.602 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.463 -9.908 -7.137 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.187 -9.874 -8.998 1.00 0.00 C ATOM 0 H LEU A 69 13.487 -5.912 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 69 11.461 -7.878 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.849 -7.503 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.659 -7.527 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 69 13.569 -9.746 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.470 -10.997 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.278 -9.592 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.675 -9.522 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.159 -10.964 -9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.476 -9.486 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.191 -9.534 -9.254 1.00 0.00 H new ATOM 1078 N MET A 70 10.713 -5.228 -7.479 1.00 0.00 N ATOM 1079 CA MET A 70 9.644 -4.536 -6.779 1.00 0.00 C ATOM 1080 C MET A 70 9.652 -3.042 -7.106 1.00 0.00 C ATOM 1081 O MET A 70 10.713 -2.421 -7.166 1.00 0.00 O ATOM 1082 CB MET A 70 9.812 -4.731 -5.270 1.00 0.00 C ATOM 1083 CG MET A 70 8.823 -3.860 -4.493 1.00 0.00 C ATOM 1084 SD MET A 70 9.678 -2.969 -3.204 1.00 0.00 S ATOM 1085 CE MET A 70 10.024 -1.441 -4.061 1.00 0.00 C ATOM 0 H MET A 70 11.491 -4.633 -7.764 1.00 0.00 H new ATOM 0 HA MET A 70 8.691 -4.954 -7.104 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.657 -5.779 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.832 -4.479 -4.978 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.334 -3.158 -5.169 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.040 -4.482 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.721 -0.844 -3.473 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.465 -1.661 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 70 9.097 -0.884 -4.200 1.00 0.00 H new ATOM 1095 N TRP A 71 8.457 -2.506 -7.307 1.00 0.00 N ATOM 1096 CA TRP A 71 8.313 -1.096 -7.624 1.00 0.00 C ATOM 1097 C TRP A 71 7.825 -0.375 -6.367 1.00 0.00 C ATOM 1098 O TRP A 71 7.247 -0.996 -5.476 1.00 0.00 O ATOM 1099 CB TRP A 71 7.386 -0.897 -8.825 1.00 0.00 C ATOM 1100 CG TRP A 71 8.107 -0.885 -10.174 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.201 -0.193 -10.519 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.740 -1.633 -11.353 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.564 -0.437 -11.827 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.647 -1.342 -12.351 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.676 -2.527 -11.567 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.583 -1.901 -13.632 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.625 -3.077 -12.854 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.530 -2.794 -13.870 1.00 0.00 C ATOM 0 H TRP A 71 7.579 -3.023 -7.256 1.00 0.00 H new ATOM 0 HA TRP A 71 9.271 -0.668 -7.920 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.640 -1.692 -8.831 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.848 0.043 -8.704 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.733 0.473 -9.855 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.359 -0.029 -12.319 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.956 -2.770 -10.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.306 -1.657 -14.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.826 -3.770 -13.072 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.422 -3.260 -14.838 1.00 0.00 H new ATOM 1119 N GLN A 72 8.077 0.925 -6.333 1.00 0.00 N ATOM 1120 CA GLN A 72 7.670 1.737 -5.198 1.00 0.00 C ATOM 1121 C GLN A 72 7.096 3.071 -5.678 1.00 0.00 C ATOM 1122 O GLN A 72 7.841 4.009 -5.956 1.00 0.00 O ATOM 1123 CB GLN A 72 8.840 1.959 -4.237 1.00 0.00 C ATOM 1124 CG GLN A 72 8.344 2.146 -2.803 1.00 0.00 C ATOM 1125 CD GLN A 72 8.091 0.795 -2.129 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.882 0.293 -2.362 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.938 0.246 -1.444 1.00 0.00 N flip ATOM 0 H GLN A 72 8.558 1.437 -7.073 1.00 0.00 H new ATOM 0 HA GLN A 72 6.891 1.203 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.519 1.108 -4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.408 2.836 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.080 2.710 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.425 2.733 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.847 0.688 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.737 -0.655 -1.009 1.00 0.00 H new ATOM 1136 N LEU A 73 5.774 3.113 -5.761 1.00 0.00 N ATOM 1137 CA LEU A 73 5.089 4.317 -6.201 1.00 0.00 C ATOM 1138 C LEU A 73 5.755 5.539 -5.563 1.00 0.00 C ATOM 1139 O LEU A 73 5.883 5.614 -4.342 1.00 0.00 O ATOM 1140 CB LEU A 73 3.590 4.216 -5.916 1.00 0.00 C ATOM 1141 CG LEU A 73 2.832 5.542 -5.828 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.444 6.586 -6.766 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.340 5.340 -6.093 1.00 0.00 C ATOM 0 H LEU A 73 5.159 2.332 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 73 5.177 4.432 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.132 3.610 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.454 3.680 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 73 2.929 5.924 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.887 7.519 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.484 6.759 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.397 6.224 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.825 6.298 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.201 4.924 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.929 4.653 -5.353 1.00 0.00 H new ATOM 1155 N TYR A 74 6.161 6.465 -6.419 1.00 0.00 N ATOM 1156 CA TYR A 74 6.811 7.679 -5.955 1.00 0.00 C ATOM 1157 C TYR A 74 6.044 8.921 -6.416 1.00 0.00 C ATOM 1158 O TYR A 74 5.161 8.830 -7.266 1.00 0.00 O ATOM 1159 CB TYR A 74 8.200 7.685 -6.595 1.00 0.00 C ATOM 1160 CG TYR A 74 9.351 7.670 -5.586 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.367 6.733 -4.573 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.371 8.593 -5.689 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.449 6.718 -3.624 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.453 8.578 -4.740 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.439 7.641 -3.754 1.00 0.00 C ATOM 1166 OH TYR A 74 12.462 7.628 -2.857 1.00 0.00 O ATOM 0 H TYR A 74 6.053 6.399 -7.431 1.00 0.00 H new ATOM 0 HA TYR A 74 6.853 7.700 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.292 6.817 -7.248 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.294 8.569 -7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.568 6.011 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.358 9.327 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.474 5.990 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.258 9.295 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 74 13.271 7.283 -3.289 1.00 0.00 H new ATOM 1176 N PRO A 75 6.421 10.083 -5.818 1.00 0.00 N ATOM 1177 CA PRO A 75 5.780 11.342 -6.158 1.00 0.00 C ATOM 1178 C PRO A 75 6.255 11.849 -7.522 1.00 0.00 C ATOM 1179 O PRO A 75 7.263 11.376 -8.046 1.00 0.00 O ATOM 1180 CB PRO A 75 6.133 12.283 -5.019 1.00 0.00 C ATOM 1181 CG PRO A 75 7.333 11.664 -4.322 1.00 0.00 C ATOM 1182 CD PRO A 75 7.464 10.229 -4.807 1.00 0.00 C ATOM 0 HA PRO A 75 4.699 11.249 -6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.370 13.278 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.296 12.393 -4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.238 12.228 -4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.202 11.691 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.452 10.042 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.326 9.521 -3.990 1.00 0.00 H new ATOM 1190 N GLU A 76 5.509 12.804 -8.055 1.00 0.00 N ATOM 1191 CA GLU A 76 5.840 13.379 -9.348 1.00 0.00 C ATOM 1192 C GLU A 76 5.305 12.495 -10.475 1.00 0.00 C ATOM 1193 O GLU A 76 5.628 12.708 -11.643 1.00 0.00 O ATOM 1194 CB GLU A 76 7.351 13.587 -9.484 1.00 0.00 C ATOM 1195 CG GLU A 76 7.665 14.983 -10.026 1.00 0.00 C ATOM 1196 CD GLU A 76 8.687 15.697 -9.141 1.00 0.00 C ATOM 1197 OE1 GLU A 76 9.878 15.746 -9.484 1.00 0.00 O ATOM 1198 OE2 GLU A 76 8.206 16.217 -8.062 1.00 0.00 O ATOM 0 H GLU A 76 4.676 13.195 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 76 5.363 14.356 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.829 13.454 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.767 12.832 -10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.051 14.904 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.749 15.572 -10.078 1.00 0.00 H new ATOM 1206 N GLU A 77 4.495 11.521 -10.086 1.00 0.00 N ATOM 1207 CA GLU A 77 3.912 10.603 -11.050 1.00 0.00 C ATOM 1208 C GLU A 77 4.984 9.664 -11.606 1.00 0.00 C ATOM 1209 O GLU A 77 5.207 9.616 -12.815 1.00 0.00 O ATOM 1210 CB GLU A 77 3.213 11.365 -12.178 1.00 0.00 C ATOM 1211 CG GLU A 77 2.248 10.453 -12.939 1.00 0.00 C ATOM 1212 CD GLU A 77 1.196 11.272 -13.690 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.541 12.248 -14.372 1.00 0.00 O ATOM 1214 OE2 GLU A 77 -0.019 10.861 -13.546 1.00 0.00 O ATOM 0 H GLU A 77 4.229 11.348 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 77 3.160 10.001 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.668 12.214 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.957 11.768 -12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.805 9.836 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.756 9.775 -12.241 1.00 0.00 H new ATOM 1222 N ARG A 78 5.619 8.940 -10.696 1.00 0.00 N ATOM 1223 CA ARG A 78 6.663 8.004 -11.080 1.00 0.00 C ATOM 1224 C ARG A 78 6.800 6.901 -10.028 1.00 0.00 C ATOM 1225 O ARG A 78 6.337 7.054 -8.898 1.00 0.00 O ATOM 1226 CB ARG A 78 8.008 8.715 -11.241 1.00 0.00 C ATOM 1227 CG ARG A 78 7.838 10.053 -11.964 1.00 0.00 C ATOM 1228 CD ARG A 78 9.185 10.756 -12.141 1.00 0.00 C ATOM 1229 NE ARG A 78 8.974 12.143 -12.612 1.00 0.00 N ATOM 1230 CZ ARG A 78 9.972 13.017 -12.860 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.260 12.656 -12.684 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.669 14.233 -13.277 1.00 0.00 N ATOM 0 H ARG A 78 5.431 8.982 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 78 6.380 7.565 -12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.455 8.881 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.694 8.080 -11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.379 9.888 -12.939 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.161 10.693 -11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.728 10.763 -11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.799 10.209 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 78 8.015 12.458 -12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.486 11.715 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.007 13.324 -12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.693 14.499 -13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.411 14.906 -13.469 1.00 0.00 H new ATOM 1245 N TYR A 79 7.437 5.814 -10.436 1.00 0.00 N ATOM 1246 CA TYR A 79 7.642 4.687 -9.543 1.00 0.00 C ATOM 1247 C TYR A 79 9.133 4.438 -9.306 1.00 0.00 C ATOM 1248 O TYR A 79 9.912 4.363 -10.255 1.00 0.00 O ATOM 1249 CB TYR A 79 7.041 3.472 -10.253 1.00 0.00 C ATOM 1250 CG TYR A 79 5.588 3.183 -9.869 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.735 4.223 -9.564 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.132 1.881 -9.828 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.368 3.950 -9.202 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.765 1.608 -9.466 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.951 2.656 -9.172 1.00 0.00 C ATOM 1256 OH TYR A 79 1.659 2.398 -8.831 1.00 0.00 O ATOM 0 H TYR A 79 7.818 5.690 -11.374 1.00 0.00 H new ATOM 0 HA TYR A 79 7.180 4.877 -8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.097 3.629 -11.330 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.647 2.595 -10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.092 5.242 -9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.800 1.067 -10.067 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.690 4.755 -8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.395 0.594 -9.429 1.00 0.00 H new ATOM 0 HH TYR A 79 1.592 1.491 -8.466 1.00 0.00 H new ATOM 1266 N MET A 80 9.485 4.317 -8.034 1.00 0.00 N ATOM 1267 CA MET A 80 10.869 4.080 -7.661 1.00 0.00 C ATOM 1268 C MET A 80 11.086 2.618 -7.260 1.00 0.00 C ATOM 1269 O MET A 80 10.411 2.110 -6.365 1.00 0.00 O ATOM 1270 CB MET A 80 11.247 4.990 -6.492 1.00 0.00 C ATOM 1271 CG MET A 80 12.741 4.889 -6.178 1.00 0.00 C ATOM 1272 SD MET A 80 13.376 6.491 -5.712 1.00 0.00 S ATOM 1273 CE MET A 80 14.925 6.480 -6.599 1.00 0.00 C ATOM 0 H MET A 80 8.836 4.379 -7.250 1.00 0.00 H new ATOM 0 HA MET A 80 11.500 4.300 -8.522 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.992 6.022 -6.733 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.667 4.715 -5.611 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.904 4.175 -5.371 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.280 4.514 -7.048 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.354 7.482 -6.595 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.615 5.788 -6.117 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.753 6.163 -7.628 1.00 0.00 H new ATOM 1283 N ASP A 81 12.029 1.984 -7.942 1.00 0.00 N ATOM 1284 CA ASP A 81 12.342 0.592 -7.667 1.00 0.00 C ATOM 1285 C ASP A 81 13.225 0.510 -6.420 1.00 0.00 C ATOM 1286 O ASP A 81 13.461 1.517 -5.755 1.00 0.00 O ATOM 1287 CB ASP A 81 13.108 -0.039 -8.831 1.00 0.00 C ATOM 1288 CG ASP A 81 14.571 0.391 -8.952 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.083 1.155 -8.121 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.201 -0.097 -9.967 1.00 0.00 O ATOM 0 H ASP A 81 12.586 2.408 -8.684 1.00 0.00 H new ATOM 0 HA ASP A 81 11.404 0.057 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.071 -1.123 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.595 0.208 -9.760 1.00 0.00 H new ATOM 1296 N ASN A 82 13.689 -0.700 -6.142 1.00 0.00 N ATOM 1297 CA ASN A 82 14.541 -0.928 -4.987 1.00 0.00 C ATOM 1298 C ASN A 82 15.938 -1.333 -5.462 1.00 0.00 C ATOM 1299 O ASN A 82 16.824 -1.591 -4.648 1.00 0.00 O ATOM 1300 CB ASN A 82 13.993 -2.056 -4.112 1.00 0.00 C ATOM 1301 CG ASN A 82 13.989 -3.385 -4.870 1.00 0.00 C ATOM 1302 OD1 ASN A 82 13.076 -3.703 -5.613 1.00 0.00 O ATOM 1303 ND2 ASN A 82 15.059 -4.142 -4.640 1.00 0.00 N ATOM 0 H ASN A 82 13.491 -1.533 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 82 14.575 -0.006 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.599 -2.149 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.980 -1.813 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.150 -5.049 -5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.788 -3.815 -4.006 1.00 0.00 H new ATOM 1310 N ASN A 83 16.092 -1.377 -6.777 1.00 0.00 N ATOM 1311 CA ASN A 83 17.366 -1.745 -7.369 1.00 0.00 C ATOM 1312 C ASN A 83 18.277 -0.516 -7.418 1.00 0.00 C ATOM 1313 O ASN A 83 19.425 -0.572 -6.980 1.00 0.00 O ATOM 1314 CB ASN A 83 17.182 -2.253 -8.800 1.00 0.00 C ATOM 1315 CG ASN A 83 18.318 -3.198 -9.198 1.00 0.00 C ATOM 1316 OD1 ASN A 83 19.482 -2.962 -8.920 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.916 -4.279 -9.861 1.00 0.00 N ATOM 0 H ASN A 83 15.355 -1.164 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 83 17.805 -2.534 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.227 -2.771 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 83 17.149 -1.408 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.599 -4.971 -10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.925 -4.415 -10.061 1.00 0.00 H new ATOM 1324 N SER A 84 17.729 0.564 -7.954 1.00 0.00 N ATOM 1325 CA SER A 84 18.477 1.806 -8.065 1.00 0.00 C ATOM 1326 C SER A 84 18.080 2.543 -9.345 1.00 0.00 C ATOM 1327 O SER A 84 18.933 3.098 -10.036 1.00 0.00 O ATOM 1328 CB SER A 84 19.984 1.543 -8.050 1.00 0.00 C ATOM 1329 OG SER A 84 20.504 1.498 -6.723 1.00 0.00 O ATOM 0 H SER A 84 16.776 0.606 -8.316 1.00 0.00 H new ATOM 0 HA SER A 84 18.235 2.430 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.193 0.599 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.494 2.324 -8.613 1.00 0.00 H new ATOM 0 HG SER A 84 20.089 0.757 -6.234 1.00 0.00 H new ATOM 1335 N ARG A 85 16.785 2.525 -9.624 1.00 0.00 N ATOM 1336 CA ARG A 85 16.264 3.184 -10.810 1.00 0.00 C ATOM 1337 C ARG A 85 14.890 3.791 -10.519 1.00 0.00 C ATOM 1338 O ARG A 85 14.201 3.363 -9.594 1.00 0.00 O ATOM 1339 CB ARG A 85 16.144 2.204 -11.977 1.00 0.00 C ATOM 1340 CG ARG A 85 17.518 1.668 -12.387 1.00 0.00 C ATOM 1341 CD ARG A 85 17.430 0.873 -13.691 1.00 0.00 C ATOM 1342 NE ARG A 85 18.482 -0.167 -13.723 1.00 0.00 N ATOM 1343 CZ ARG A 85 18.334 -1.408 -13.213 1.00 0.00 C ATOM 1344 NH1 ARG A 85 17.175 -1.775 -12.628 1.00 0.00 N ATOM 1345 NH2 ARG A 85 19.342 -2.258 -13.297 1.00 0.00 N ATOM 0 H ARG A 85 16.080 2.064 -9.049 1.00 0.00 H new ATOM 0 HA ARG A 85 16.963 3.974 -11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.496 1.375 -11.695 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.675 2.700 -12.827 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.214 2.498 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.915 1.032 -11.596 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.447 0.410 -13.778 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.544 1.543 -14.543 1.00 0.00 H new ATOM 0 HE ARG A 85 19.374 0.068 -14.157 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.402 -1.113 -12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.072 -2.715 -12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.214 -1.972 -13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.248 -3.200 -12.917 1.00 0.00 H new ATOM 1358 N LEU A 86 14.532 4.778 -11.326 1.00 0.00 N ATOM 1359 CA LEU A 86 13.253 5.450 -11.166 1.00 0.00 C ATOM 1360 C LEU A 86 12.467 5.357 -12.476 1.00 0.00 C ATOM 1361 O LEU A 86 12.901 5.874 -13.503 1.00 0.00 O ATOM 1362 CB LEU A 86 13.459 6.883 -10.673 1.00 0.00 C ATOM 1363 CG LEU A 86 12.238 7.558 -10.044 1.00 0.00 C ATOM 1364 CD1 LEU A 86 11.014 7.433 -10.953 1.00 0.00 C ATOM 1365 CD2 LEU A 86 11.969 7.008 -8.642 1.00 0.00 C ATOM 0 H LEU A 86 15.105 5.129 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 86 12.656 4.957 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.266 6.882 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.793 7.491 -11.514 1.00 0.00 H new ATOM 0 HG LEU A 86 12.453 8.621 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.160 7.921 -10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.222 7.910 -11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.786 6.379 -11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.096 7.504 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.783 5.936 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.835 7.192 -8.007 1.00 0.00 H new ATOM 1377 N TRP A 87 11.322 4.694 -12.395 1.00 0.00 N ATOM 1378 CA TRP A 87 10.470 4.527 -13.560 1.00 0.00 C ATOM 1379 C TRP A 87 9.386 5.607 -13.512 1.00 0.00 C ATOM 1380 O TRP A 87 8.901 5.956 -12.436 1.00 0.00 O ATOM 1381 CB TRP A 87 9.900 3.109 -13.624 1.00 0.00 C ATOM 1382 CG TRP A 87 10.964 2.011 -13.647 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.020 1.867 -12.834 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.033 0.901 -14.567 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.761 0.750 -13.162 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.142 0.144 -14.249 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.186 0.548 -15.633 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.507 -1.013 -14.947 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.565 -0.612 -16.321 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.678 -1.384 -16.013 1.00 0.00 C ATOM 0 H TRP A 87 10.965 4.266 -11.541 1.00 0.00 H new ATOM 0 HA TRP A 87 11.044 4.651 -14.478 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.249 2.951 -12.764 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.279 3.018 -14.515 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.261 2.540 -12.024 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.608 0.428 -12.693 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.313 1.125 -15.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.381 -1.588 -14.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.948 -0.928 -17.149 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.903 -2.267 -16.593 1.00 0.00 H new ATOM 1401 N GLN A 88 9.038 6.103 -14.690 1.00 0.00 N ATOM 1402 CA GLN A 88 8.020 7.135 -14.795 1.00 0.00 C ATOM 1403 C GLN A 88 6.698 6.530 -15.269 1.00 0.00 C ATOM 1404 O GLN A 88 6.675 5.747 -16.219 1.00 0.00 O ATOM 1405 CB GLN A 88 8.474 8.260 -15.726 1.00 0.00 C ATOM 1406 CG GLN A 88 7.299 9.160 -16.113 1.00 0.00 C ATOM 1407 CD GLN A 88 7.758 10.605 -16.317 1.00 0.00 C ATOM 1408 OE1 GLN A 88 8.909 10.953 -16.110 1.00 0.00 O ATOM 1409 NE2 GLN A 88 6.797 11.424 -16.733 1.00 0.00 N ATOM 0 H GLN A 88 9.442 5.810 -15.579 1.00 0.00 H new ATOM 0 HA GLN A 88 7.865 7.567 -13.806 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.245 8.854 -15.235 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.922 7.835 -16.624 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.838 8.789 -17.028 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.537 9.123 -15.335 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.854 11.067 -16.887 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.003 12.409 -16.898 1.00 0.00 H new ATOM 1418 N ILE A 89 5.629 6.914 -14.588 1.00 0.00 N ATOM 1419 CA ILE A 89 4.305 6.420 -14.929 1.00 0.00 C ATOM 1420 C ILE A 89 3.874 7.015 -16.272 1.00 0.00 C ATOM 1421 O ILE A 89 3.245 8.072 -16.312 1.00 0.00 O ATOM 1422 CB ILE A 89 3.322 6.693 -13.790 1.00 0.00 C ATOM 1423 CG1 ILE A 89 3.808 6.065 -12.483 1.00 0.00 C ATOM 1424 CG2 ILE A 89 1.911 6.227 -14.161 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.637 4.544 -12.509 1.00 0.00 C ATOM 0 H ILE A 89 5.652 7.562 -13.801 1.00 0.00 H new ATOM 0 HA ILE A 89 4.321 5.337 -15.051 1.00 0.00 H new ATOM 0 HB ILE A 89 3.275 7.770 -13.630 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.857 6.314 -12.324 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.250 6.483 -11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.231 6.432 -13.334 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.574 6.760 -15.050 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.923 5.156 -14.363 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.990 4.122 -11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.584 4.299 -12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.215 4.127 -13.333 1.00 0.00 H new ATOM 1437 N GLN A 90 4.228 6.313 -17.336 1.00 0.00 N ATOM 1438 CA GLN A 90 3.886 6.758 -18.676 1.00 0.00 C ATOM 1439 C GLN A 90 2.409 7.151 -18.744 1.00 0.00 C ATOM 1440 O GLN A 90 2.068 8.209 -19.268 1.00 0.00 O ATOM 1441 CB GLN A 90 4.216 5.683 -19.713 1.00 0.00 C ATOM 1442 CG GLN A 90 5.268 6.182 -20.706 1.00 0.00 C ATOM 1443 CD GLN A 90 4.703 7.300 -21.586 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.519 7.359 -21.876 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.614 8.179 -21.993 1.00 0.00 N ATOM 0 H GLN A 90 4.749 5.437 -17.298 1.00 0.00 H new ATOM 0 HA GLN A 90 4.487 7.637 -18.910 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.582 4.788 -19.210 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.310 5.400 -20.249 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.141 6.546 -20.164 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.604 5.355 -21.332 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.589 8.070 -21.713 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.338 8.962 -22.585 1.00 0.00 H new ATOM 1454 N HIS A 91 1.572 6.275 -18.205 1.00 0.00 N ATOM 1455 CA HIS A 91 0.139 6.517 -18.198 1.00 0.00 C ATOM 1456 C HIS A 91 -0.561 5.426 -17.384 1.00 0.00 C ATOM 1457 O HIS A 91 -0.374 4.238 -17.643 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.400 6.631 -19.625 1.00 0.00 C ATOM 1459 CG HIS A 91 -1.012 5.356 -20.154 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.977 4.547 -19.630 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.636 4.786 -21.358 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -2.180 3.538 -20.469 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.349 3.685 -21.541 1.00 0.00 N flip ATOM 0 H HIS A 91 1.859 5.398 -17.771 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.070 7.472 -17.716 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.149 7.422 -19.657 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.412 6.934 -20.286 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.112 5.173 -22.034 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.886 2.734 -20.326 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.288 3.057 -22.343 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.352 5.870 -16.418 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.082 4.946 -15.567 1.00 0.00 C ATOM 1473 C HIS A 92 -3.585 5.189 -15.715 1.00 0.00 C ATOM 1474 O HIS A 92 -4.087 6.247 -15.338 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.604 5.051 -14.117 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.370 4.176 -13.153 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.531 2.822 -13.115 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.077 4.684 -12.078 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.294 2.520 -12.072 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.635 3.673 -11.428 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.503 6.856 -16.206 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.883 3.921 -15.881 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.548 4.785 -14.073 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.685 6.089 -13.793 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.160 5.728 -11.813 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.595 1.525 -11.781 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.217 3.744 -10.593 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.262 4.192 -16.266 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.698 4.285 -16.469 1.00 0.00 C ATOM 1490 C LEU A 93 -6.303 2.880 -16.440 1.00 0.00 C ATOM 1491 O LEU A 93 -5.582 1.892 -16.312 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.009 5.062 -17.750 1.00 0.00 C ATOM 1493 CG LEU A 93 -6.079 4.236 -19.036 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -6.261 5.139 -20.257 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.857 3.327 -19.171 1.00 0.00 C ATOM 0 H LEU A 93 -3.843 3.316 -16.578 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.162 4.850 -15.661 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.962 5.574 -17.618 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.249 5.832 -17.878 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.955 3.590 -18.980 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.308 4.527 -21.158 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.186 5.707 -20.155 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.419 5.827 -20.329 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.932 2.751 -20.093 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.952 3.935 -19.195 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.814 2.646 -18.321 1.00 0.00 H new ATOM 1507 N MET A 94 -7.623 2.837 -16.561 1.00 0.00 N ATOM 1508 CA MET A 94 -8.334 1.569 -16.551 1.00 0.00 C ATOM 1509 C MET A 94 -9.133 1.379 -17.842 1.00 0.00 C ATOM 1510 O MET A 94 -9.815 2.296 -18.295 1.00 0.00 O ATOM 1511 CB MET A 94 -9.283 1.527 -15.352 1.00 0.00 C ATOM 1512 CG MET A 94 -10.432 0.546 -15.598 1.00 0.00 C ATOM 1513 SD MET A 94 -11.088 -0.028 -14.040 1.00 0.00 S ATOM 1514 CE MET A 94 -10.068 -1.471 -13.787 1.00 0.00 C ATOM 0 H MET A 94 -8.218 3.659 -16.666 1.00 0.00 H new ATOM 0 HA MET A 94 -7.603 0.763 -16.476 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.733 1.232 -14.458 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.684 2.523 -15.166 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.218 1.031 -16.176 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.079 -0.300 -16.187 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.695 -2.363 -13.781 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.338 -1.546 -14.593 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.548 -1.386 -12.833 1.00 0.00 H new ATOM 1524 N VAL A 95 -9.020 0.182 -18.398 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.722 -0.140 -19.629 1.00 0.00 C ATOM 1526 C VAL A 95 -10.324 -1.542 -19.515 1.00 0.00 C ATOM 1527 O VAL A 95 -9.690 -2.453 -18.985 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.780 0.010 -20.825 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -9.399 -0.589 -22.090 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.399 1.476 -21.042 1.00 0.00 C ATOM 0 H VAL A 95 -8.453 -0.577 -18.019 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.545 0.556 -19.792 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.868 -0.544 -20.604 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.709 -0.469 -22.925 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.596 -1.649 -21.932 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.334 -0.076 -22.316 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.729 1.555 -21.898 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.299 2.062 -21.230 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.898 1.857 -20.152 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.542 -1.673 -20.022 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.236 -2.948 -19.984 1.00 0.00 C ATOM 1542 C ARG A 96 -12.145 -3.560 -18.585 1.00 0.00 C ATOM 1543 O ARG A 96 -11.955 -4.767 -18.443 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.644 -3.927 -21.001 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.057 -3.553 -22.426 1.00 0.00 C ATOM 1546 CD ARG A 96 -13.456 -4.082 -22.749 1.00 0.00 C ATOM 1547 NE ARG A 96 -14.155 -3.142 -23.653 1.00 0.00 N ATOM 1548 CZ ARG A 96 -15.232 -3.469 -24.399 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -15.743 -4.719 -24.354 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -15.779 -2.550 -25.173 1.00 0.00 N ATOM 0 H ARG A 96 -12.065 -0.916 -20.461 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.280 -2.765 -20.237 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.557 -3.926 -20.922 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.980 -4.939 -20.775 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.039 -2.469 -22.541 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.337 -3.961 -23.136 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.384 -5.064 -23.217 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.027 -4.208 -21.829 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.801 -2.187 -23.717 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.315 -5.424 -23.753 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.557 -4.958 -24.921 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.388 -1.608 -25.202 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.593 -2.781 -25.743 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.286 -2.700 -17.586 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.223 -3.142 -16.204 1.00 0.00 C ATOM 1565 C GLY A 97 -10.827 -3.666 -15.860 1.00 0.00 C ATOM 1566 O GLY A 97 -10.674 -4.483 -14.952 1.00 0.00 O ATOM 0 H GLY A 97 -12.444 -1.700 -17.707 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.478 -2.315 -15.542 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.962 -3.926 -16.035 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.846 -3.176 -16.602 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.468 -3.586 -16.386 1.00 0.00 C ATOM 1572 C VAL A 98 -7.584 -2.342 -16.262 1.00 0.00 C ATOM 1573 O VAL A 98 -7.660 -1.437 -17.091 1.00 0.00 O ATOM 1574 CB VAL A 98 -8.022 -4.527 -17.507 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.524 -4.380 -17.782 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.378 -5.978 -17.178 1.00 0.00 C ATOM 0 H VAL A 98 -9.977 -2.499 -17.354 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.376 -4.144 -15.454 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.559 -4.247 -18.413 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.233 -5.060 -18.583 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.308 -3.354 -18.080 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.963 -4.621 -16.879 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.050 -6.626 -17.991 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.881 -6.274 -16.254 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.457 -6.069 -17.054 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.767 -2.339 -15.220 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.869 -1.223 -14.976 1.00 0.00 C ATOM 1588 C GLN A 99 -4.552 -1.428 -15.725 1.00 0.00 C ATOM 1589 O GLN A 99 -3.836 -2.397 -15.477 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.624 -1.034 -13.477 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.837 -0.394 -12.800 1.00 0.00 C ATOM 1592 CD GLN A 99 -6.689 -0.412 -11.278 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -5.711 0.058 -10.718 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -7.709 -0.979 -10.640 1.00 0.00 N ATOM 0 H GLN A 99 -6.708 -3.092 -14.534 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.340 -0.314 -15.351 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.412 -1.998 -13.015 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.745 -0.407 -13.325 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.951 0.633 -13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.742 -0.929 -13.087 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.497 -1.353 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.703 -1.040 -9.622 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.270 -0.500 -16.628 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.051 -0.566 -17.415 1.00 0.00 C ATOM 1605 C GLU A 100 -2.088 0.547 -16.997 1.00 0.00 C ATOM 1606 O GLU A 100 -2.274 1.705 -17.366 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.360 -0.491 -18.912 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.072 -0.511 -19.739 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.311 -1.146 -21.110 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.609 -2.346 -21.193 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.178 -0.344 -22.112 1.00 0.00 O ATOM 0 H GLU A 100 -4.866 0.302 -16.832 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.570 -1.526 -17.225 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.994 -1.330 -19.199 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.920 0.419 -19.126 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.701 0.506 -19.865 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.302 -1.068 -19.206 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.079 0.156 -16.233 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.085 1.107 -15.761 1.00 0.00 C ATOM 1621 C LEU A 101 1.164 1.010 -16.639 1.00 0.00 C ATOM 1622 O LEU A 101 1.779 -0.052 -16.735 1.00 0.00 O ATOM 1623 CB LEU A 101 0.191 0.897 -14.272 1.00 0.00 C ATOM 1624 CG LEU A 101 0.645 2.134 -13.493 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.654 1.861 -11.988 1.00 0.00 C ATOM 1626 CD2 LEU A 101 2.003 2.629 -13.994 1.00 0.00 C ATOM 0 H LEU A 101 -0.928 -0.806 -15.929 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.459 2.127 -15.851 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.715 0.511 -13.806 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.955 0.127 -14.169 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.075 2.933 -13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.980 2.756 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.350 1.591 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.338 1.041 -11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.303 3.509 -13.424 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.747 1.843 -13.866 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.929 2.889 -15.050 1.00 0.00 H new ATOM 1638 N LEU A 102 1.502 2.132 -17.257 1.00 0.00 N ATOM 1639 CA LEU A 102 2.668 2.187 -18.123 1.00 0.00 C ATOM 1640 C LEU A 102 3.855 2.747 -17.338 1.00 0.00 C ATOM 1641 O LEU A 102 3.792 3.860 -16.819 1.00 0.00 O ATOM 1642 CB LEU A 102 2.351 2.969 -19.399 1.00 0.00 C ATOM 1643 CG LEU A 102 1.134 2.489 -20.195 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.340 2.708 -21.695 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.805 1.031 -19.868 1.00 0.00 C ATOM 0 H LEU A 102 0.989 3.010 -17.175 1.00 0.00 H new ATOM 0 HA LEU A 102 2.946 1.185 -18.451 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.196 4.014 -19.132 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.224 2.932 -20.050 1.00 0.00 H new ATOM 0 HG LEU A 102 0.273 3.087 -19.897 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.462 2.359 -22.238 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.489 3.770 -21.891 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.216 2.151 -22.027 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.063 0.715 -20.447 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.658 0.400 -20.120 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.586 0.937 -18.804 1.00 0.00 H new ATOM 1657 N LEU A 103 4.912 1.950 -17.276 1.00 0.00 N ATOM 1658 CA LEU A 103 6.113 2.352 -16.564 1.00 0.00 C ATOM 1659 C LEU A 103 7.243 2.584 -17.568 1.00 0.00 C ATOM 1660 O LEU A 103 7.481 1.752 -18.444 1.00 0.00 O ATOM 1661 CB LEU A 103 6.457 1.333 -15.475 1.00 0.00 C ATOM 1662 CG LEU A 103 5.635 1.425 -14.187 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.680 0.107 -13.413 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.090 2.609 -13.330 1.00 0.00 C ATOM 0 H LEU A 103 4.961 1.027 -17.708 1.00 0.00 H new ATOM 0 HA LEU A 103 5.949 3.296 -16.045 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.335 0.332 -15.890 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.511 1.446 -15.219 1.00 0.00 H new ATOM 0 HG LEU A 103 4.594 1.604 -14.458 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.088 0.199 -12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.272 -0.692 -14.032 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.712 -0.127 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.490 2.652 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.140 2.485 -13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.964 3.535 -13.892 1.00 0.00 H new ATOM 1676 N LYS A 104 7.910 3.717 -17.409 1.00 0.00 N ATOM 1677 CA LYS A 104 9.009 4.068 -18.293 1.00 0.00 C ATOM 1678 C LYS A 104 10.271 4.303 -17.460 1.00 0.00 C ATOM 1679 O LYS A 104 10.264 5.108 -16.528 1.00 0.00 O ATOM 1680 CB LYS A 104 8.627 5.257 -19.177 1.00 0.00 C ATOM 1681 CG LYS A 104 9.614 5.419 -20.335 1.00 0.00 C ATOM 1682 CD LYS A 104 9.145 4.645 -21.568 1.00 0.00 C ATOM 1683 CE LYS A 104 8.247 5.513 -22.451 1.00 0.00 C ATOM 1684 NZ LYS A 104 9.034 6.590 -23.091 1.00 0.00 N ATOM 0 H LYS A 104 7.711 4.404 -16.682 1.00 0.00 H new ATOM 0 HA LYS A 104 9.225 3.247 -18.977 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.620 5.114 -19.570 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.609 6.168 -18.579 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.719 6.475 -20.583 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.598 5.063 -20.031 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.009 4.309 -22.141 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.602 3.753 -21.257 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.774 4.897 -23.216 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.447 5.947 -21.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.571 6.879 -23.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.093 7.406 -22.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.992 6.243 -23.299 1.00 0.00 H new ATOM 1697 N LEU A 105 11.324 3.587 -17.825 1.00 0.00 N ATOM 1698 CA LEU A 105 12.591 3.707 -17.123 1.00 0.00 C ATOM 1699 C LEU A 105 13.540 4.586 -17.940 1.00 0.00 C ATOM 1700 O LEU A 105 13.820 4.291 -19.101 1.00 0.00 O ATOM 1701 CB LEU A 105 13.158 2.323 -16.802 1.00 0.00 C ATOM 1702 CG LEU A 105 14.530 2.300 -16.126 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.566 3.247 -14.925 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.931 0.874 -15.745 1.00 0.00 C ATOM 0 H LEU A 105 11.326 2.921 -18.598 1.00 0.00 H new ATOM 0 HA LEU A 105 12.449 4.199 -16.161 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.449 1.802 -16.158 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.223 1.755 -17.730 1.00 0.00 H new ATOM 0 HG LEU A 105 15.269 2.661 -16.842 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.553 3.211 -14.463 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.358 4.264 -15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.814 2.941 -14.198 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.910 0.887 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.195 0.461 -15.055 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.974 0.256 -16.642 1.00 0.00 H new ATOM 1716 N LEU A 106 14.012 5.646 -17.300 1.00 0.00 N ATOM 1717 CA LEU A 106 14.925 6.569 -17.952 1.00 0.00 C ATOM 1718 C LEU A 106 16.362 6.224 -17.555 1.00 0.00 C ATOM 1719 O LEU A 106 16.588 5.579 -16.533 1.00 0.00 O ATOM 1720 CB LEU A 106 14.532 8.015 -17.648 1.00 0.00 C ATOM 1721 CG LEU A 106 13.272 8.530 -18.347 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.013 8.100 -17.594 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.335 10.047 -18.542 1.00 0.00 C ATOM 0 H LEU A 106 13.779 5.886 -16.336 1.00 0.00 H new ATOM 0 HA LEU A 106 14.861 6.468 -19.035 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.392 8.114 -16.572 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.365 8.662 -17.922 1.00 0.00 H new ATOM 0 HG LEU A 106 13.223 8.080 -19.338 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.132 8.479 -18.112 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.969 7.012 -17.551 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.040 8.502 -16.581 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.428 10.388 -19.041 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.421 10.535 -17.571 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.202 10.300 -19.153 1.00 0.00 H new ATOM 1735 N PRO A 107 17.319 6.683 -18.405 1.00 0.00 N ATOM 1736 CA PRO A 107 18.727 6.431 -18.152 1.00 0.00 C ATOM 1737 C PRO A 107 19.250 7.325 -17.027 1.00 0.00 C ATOM 1738 O PRO A 107 18.583 8.276 -16.622 1.00 0.00 O ATOM 1739 CB PRO A 107 19.418 6.684 -19.482 1.00 0.00 C ATOM 1740 CG PRO A 107 18.446 7.514 -20.305 1.00 0.00 C ATOM 1741 CD PRO A 107 17.086 7.449 -19.626 1.00 0.00 C ATOM 0 HA PRO A 107 18.917 5.415 -17.807 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.360 7.214 -19.338 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.653 5.746 -19.985 1.00 0.00 H new ATOM 0 HG2 PRO A 107 18.789 8.546 -20.374 1.00 0.00 H new ATOM 0 HG3 PRO A 107 18.383 7.130 -21.323 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.707 8.446 -19.402 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.348 6.963 -20.264 1.00 0.00 H new ATOM 1749 N ASP A 108 20.441 6.989 -16.551 1.00 0.00 N ATOM 1750 CA ASP A 108 21.061 7.750 -15.480 1.00 0.00 C ATOM 1751 C ASP A 108 22.339 8.410 -16.003 1.00 0.00 C ATOM 1752 O ASP A 108 22.907 7.967 -16.999 1.00 0.00 O ATOM 1753 CB ASP A 108 21.443 6.842 -14.309 1.00 0.00 C ATOM 1754 CG ASP A 108 21.367 7.499 -12.930 1.00 0.00 C ATOM 1755 OD1 ASP A 108 20.556 8.410 -12.700 1.00 0.00 O ATOM 1756 OD2 ASP A 108 22.195 7.034 -12.058 1.00 0.00 O ATOM 0 H ASP A 108 20.992 6.200 -16.888 1.00 0.00 H new ATOM 0 HA ASP A 108 20.345 8.497 -15.138 1.00 0.00 H new ATOM 0 HB2 ASP A 108 20.788 5.970 -14.316 1.00 0.00 H new ATOM 0 HB3 ASP A 108 22.459 6.479 -14.466 1.00 0.00 H new ATOM 1762 N ASP A 109 22.752 9.459 -15.306 1.00 0.00 N ATOM 1763 CA ASP A 109 23.952 10.185 -15.687 1.00 0.00 C ATOM 1764 C ASP A 109 23.762 10.775 -17.086 1.00 0.00 C ATOM 1765 O ASP A 109 23.347 10.076 -18.008 1.00 0.00 O ATOM 1766 CB ASP A 109 25.167 9.256 -15.727 1.00 0.00 C ATOM 1767 CG ASP A 109 26.332 9.752 -16.586 1.00 0.00 C ATOM 1768 OD1 ASP A 109 26.812 10.883 -16.419 1.00 0.00 O ATOM 1769 OD2 ASP A 109 26.753 8.914 -17.471 1.00 0.00 O ATOM 0 H ASP A 109 22.277 9.823 -14.480 1.00 0.00 H new ATOM 0 HA ASP A 109 24.121 10.969 -14.949 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.524 9.106 -14.708 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.849 8.282 -16.100 1.00 0.00 H new ATOM 1775 N ARG A 110 24.076 12.057 -17.199 1.00 0.00 N ATOM 1776 CA ARG A 110 23.947 12.750 -18.470 1.00 0.00 C ATOM 1777 C ARG A 110 22.512 12.647 -18.988 1.00 0.00 C ATOM 1778 O ARG A 110 21.757 11.773 -18.564 1.00 0.00 O ATOM 1779 CB ARG A 110 24.902 12.168 -19.514 1.00 0.00 C ATOM 1780 CG ARG A 110 26.091 13.103 -19.751 1.00 0.00 C ATOM 1781 CD ARG A 110 26.558 13.037 -21.207 1.00 0.00 C ATOM 1782 NE ARG A 110 27.881 12.378 -21.285 1.00 0.00 N ATOM 1783 CZ ARG A 110 29.049 12.991 -21.002 1.00 0.00 C ATOM 1784 NH1 ARG A 110 29.069 14.285 -20.620 1.00 0.00 N ATOM 1785 NH2 ARG A 110 30.173 12.305 -21.107 1.00 0.00 N ATOM 0 H ARG A 110 24.419 12.634 -16.431 1.00 0.00 H new ATOM 0 HA ARG A 110 24.202 13.797 -18.304 1.00 0.00 H new ATOM 0 HB2 ARG A 110 25.261 11.194 -19.181 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.368 12.008 -20.451 1.00 0.00 H new ATOM 0 HG2 ARG A 110 25.809 14.126 -19.502 1.00 0.00 H new ATOM 0 HG3 ARG A 110 26.912 12.828 -19.089 1.00 0.00 H new ATOM 0 HD2 ARG A 110 25.832 12.486 -21.806 1.00 0.00 H new ATOM 0 HD3 ARG A 110 26.618 14.042 -21.624 1.00 0.00 H new ATOM 0 HE ARG A 110 27.912 11.399 -21.571 1.00 0.00 H new ATOM 0 HH11 ARG A 110 28.196 14.808 -20.543 1.00 0.00 H new ATOM 0 HH12 ARG A 110 29.957 14.740 -20.408 1.00 0.00 H new ATOM 0 HH21 ARG A 110 30.149 11.328 -21.398 1.00 0.00 H new ATOM 0 HH22 ARG A 110 31.065 12.753 -20.897 1.00 0.00 H new ATOM 1798 N SER A 111 22.177 13.550 -19.897 1.00 0.00 N ATOM 1799 CA SER A 111 20.846 13.570 -20.478 1.00 0.00 C ATOM 1800 C SER A 111 20.648 14.853 -21.289 1.00 0.00 C ATOM 1801 O SER A 111 20.872 15.951 -20.784 1.00 0.00 O ATOM 1802 CB SER A 111 19.770 13.457 -19.395 1.00 0.00 C ATOM 1803 OG SER A 111 20.040 14.307 -18.284 1.00 0.00 O ATOM 0 H SER A 111 22.805 14.274 -20.246 1.00 0.00 H new ATOM 0 HA SER A 111 20.750 12.710 -21.140 1.00 0.00 H new ATOM 0 HB2 SER A 111 18.799 13.713 -19.820 1.00 0.00 H new ATOM 0 HB3 SER A 111 19.706 12.424 -19.054 1.00 0.00 H new ATOM 0 HG SER A 111 20.422 15.151 -18.603 1.00 0.00 H new ATOM 1809 N PRO A 112 20.220 14.664 -22.566 1.00 0.00 N ATOM 1810 CA PRO A 112 19.989 15.793 -23.452 1.00 0.00 C ATOM 1811 C PRO A 112 18.694 16.520 -23.088 1.00 0.00 C ATOM 1812 O PRO A 112 17.673 15.885 -22.826 1.00 0.00 O ATOM 1813 CB PRO A 112 19.963 15.196 -24.850 1.00 0.00 C ATOM 1814 CG PRO A 112 19.716 13.708 -24.664 1.00 0.00 C ATOM 1815 CD PRO A 112 19.945 13.377 -23.198 1.00 0.00 C ATOM 0 HA PRO A 112 20.764 16.556 -23.373 1.00 0.00 H new ATOM 0 HB2 PRO A 112 19.177 15.650 -25.454 1.00 0.00 H new ATOM 0 HB3 PRO A 112 20.905 15.374 -25.368 1.00 0.00 H new ATOM 0 HG2 PRO A 112 18.699 13.450 -24.959 1.00 0.00 H new ATOM 0 HG3 PRO A 112 20.388 13.128 -25.296 1.00 0.00 H new ATOM 0 HD2 PRO A 112 19.069 12.899 -22.759 1.00 0.00 H new ATOM 0 HD3 PRO A 112 20.780 12.688 -23.073 1.00 0.00 H new ATOM 1823 N GLY A 113 18.776 17.842 -23.084 1.00 0.00 N ATOM 1824 CA GLY A 113 17.622 18.663 -22.755 1.00 0.00 C ATOM 1825 C GLY A 113 18.004 20.143 -22.687 1.00 0.00 C ATOM 1826 O GLY A 113 19.156 20.479 -22.415 1.00 0.00 O ATOM 0 H GLY A 113 19.623 18.366 -23.303 1.00 0.00 H new ATOM 0 HA2 GLY A 113 16.843 18.519 -23.504 1.00 0.00 H new ATOM 0 HA3 GLY A 113 17.207 18.346 -21.798 1.00 0.00 H new ATOM 1830 N ILE A 114 17.016 20.989 -22.938 1.00 0.00 N ATOM 1831 CA ILE A 114 17.233 22.425 -22.906 1.00 0.00 C ATOM 1832 C ILE A 114 16.010 23.108 -22.292 1.00 0.00 C ATOM 1833 O ILE A 114 14.902 22.579 -22.355 1.00 0.00 O ATOM 1834 CB ILE A 114 17.591 22.943 -24.302 1.00 0.00 C ATOM 1835 CG1 ILE A 114 18.940 22.389 -24.762 1.00 0.00 C ATOM 1836 CG2 ILE A 114 17.553 24.471 -24.344 1.00 0.00 C ATOM 1837 CD1 ILE A 114 18.788 20.978 -25.336 1.00 0.00 C ATOM 0 H ILE A 114 16.062 20.707 -23.165 1.00 0.00 H new ATOM 0 HA ILE A 114 18.086 22.668 -22.272 1.00 0.00 H new ATOM 0 HB ILE A 114 16.840 22.583 -25.005 1.00 0.00 H new ATOM 0 HG12 ILE A 114 19.369 23.048 -25.517 1.00 0.00 H new ATOM 0 HG13 ILE A 114 19.635 22.371 -23.922 1.00 0.00 H new ATOM 0 HG21 ILE A 114 17.811 24.814 -25.346 1.00 0.00 H new ATOM 0 HG22 ILE A 114 16.552 24.817 -24.089 1.00 0.00 H new ATOM 0 HG23 ILE A 114 18.269 24.873 -23.627 1.00 0.00 H new ATOM 0 HD11 ILE A 114 19.762 20.608 -25.655 1.00 0.00 H new ATOM 0 HD12 ILE A 114 18.381 20.316 -24.571 1.00 0.00 H new ATOM 0 HD13 ILE A 114 18.112 21.004 -26.191 1.00 0.00 H new ATOM 1849 N HIS A 115 16.254 24.274 -21.710 1.00 0.00 N ATOM 1850 CA HIS A 115 15.186 25.035 -21.085 1.00 0.00 C ATOM 1851 C HIS A 115 15.413 26.529 -21.322 1.00 0.00 C ATOM 1852 O HIS A 115 16.443 27.074 -20.928 1.00 0.00 O ATOM 1853 CB HIS A 115 15.066 24.682 -19.600 1.00 0.00 C ATOM 1854 CG HIS A 115 14.239 23.448 -19.328 1.00 0.00 C ATOM 1855 ND1 HIS A 115 14.792 22.259 -18.883 1.00 0.00 N ATOM 1856 CD2 HIS A 115 12.897 23.231 -19.441 1.00 0.00 C ATOM 1857 CE1 HIS A 115 13.817 21.374 -18.740 1.00 0.00 C ATOM 1858 NE2 HIS A 115 12.644 21.977 -19.086 1.00 0.00 N ATOM 0 H HIS A 115 17.175 24.709 -21.659 1.00 0.00 H new ATOM 0 HA HIS A 115 14.232 24.772 -21.541 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.065 24.535 -19.190 1.00 0.00 H new ATOM 0 HB3 HIS A 115 14.625 25.527 -19.071 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.165 23.956 -19.764 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.931 20.353 -18.407 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.724 21.537 -19.074 1.00 0.00 H new ATOM 1866 N ARG A 116 14.434 27.149 -21.964 1.00 0.00 N ATOM 1867 CA ARG A 116 14.515 28.570 -22.258 1.00 0.00 C ATOM 1868 C ARG A 116 14.147 29.390 -21.019 1.00 0.00 C ATOM 1869 O ARG A 116 13.336 28.957 -20.202 1.00 0.00 O ATOM 1870 CB ARG A 116 13.578 28.949 -23.407 1.00 0.00 C ATOM 1871 CG ARG A 116 13.888 30.354 -23.926 1.00 0.00 C ATOM 1872 CD ARG A 116 13.337 30.549 -25.341 1.00 0.00 C ATOM 1873 NE ARG A 116 14.222 31.455 -26.108 1.00 0.00 N ATOM 1874 CZ ARG A 116 14.154 31.626 -27.444 1.00 0.00 C ATOM 1875 NH1 ARG A 116 13.241 30.953 -28.177 1.00 0.00 N ATOM 1876 NH2 ARG A 116 14.994 32.462 -28.026 1.00 0.00 N ATOM 0 H ARG A 116 13.581 26.694 -22.289 1.00 0.00 H new ATOM 0 HA ARG A 116 15.541 28.790 -22.553 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.680 28.227 -24.217 1.00 0.00 H new ATOM 0 HB3 ARG A 116 12.543 28.903 -23.068 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.454 31.097 -23.257 1.00 0.00 H new ATOM 0 HG3 ARG A 116 14.966 30.516 -23.926 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.262 29.586 -25.847 1.00 0.00 H new ATOM 0 HD3 ARG A 116 12.330 30.964 -25.294 1.00 0.00 H new ATOM 0 HE ARG A 116 14.927 31.983 -25.594 1.00 0.00 H new ATOM 0 HH11 ARG A 116 12.595 30.309 -27.721 1.00 0.00 H new ATOM 0 HH12 ARG A 116 13.197 31.089 -29.187 1.00 0.00 H new ATOM 0 HH21 ARG A 116 15.681 32.967 -27.466 1.00 0.00 H new ATOM 0 HH22 ARG A 116 14.956 32.603 -29.036 1.00 0.00 H new ATOM 1889 N ASP A 117 14.762 30.559 -20.919 1.00 0.00 N ATOM 1890 CA ASP A 117 14.510 31.443 -19.794 1.00 0.00 C ATOM 1891 C ASP A 117 15.352 32.711 -19.950 1.00 0.00 C ATOM 1892 O ASP A 117 16.556 32.637 -20.189 1.00 0.00 O ATOM 1893 CB ASP A 117 14.898 30.777 -18.472 1.00 0.00 C ATOM 1894 CG ASP A 117 14.635 31.619 -17.222 1.00 0.00 C ATOM 1895 OD1 ASP A 117 13.478 31.897 -16.872 1.00 0.00 O ATOM 1896 OD2 ASP A 117 15.691 31.998 -16.588 1.00 0.00 O ATOM 0 H ASP A 117 15.434 30.915 -21.599 1.00 0.00 H new ATOM 0 HA ASP A 117 13.446 31.677 -19.780 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.351 29.838 -18.381 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.958 30.526 -18.506 1.00 0.00 H new TER 1902 ASP A 117