USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 870 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 96 GLN :FLIP amide:sc= -0.437 F(o=-0.11,f=0.84) USER MOD Set 1.2: A 99 CYS SG : rot -77:sc= 1.28 USER MOD Set 2.1: A 73 THR OG1 : rot -77:sc= 0.574 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.777 K(o=-0.2,f=-0.85) USER MOD Set 3.1: A 57 THR OG1 : rot 88:sc= 0.866 USER MOD Set 3.2: A 128 HIS : no HD1:sc= -2.19 K(o=-1.3,f=-2.5) USER MOD Single : A 29 MET CE :methyl -173:sc= -0.145 (180deg=-0.238) USER MOD Single : A 31 CYS SG : rot -100:sc= -3.48! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00546 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0339) USER MOD Single : A 44 MET CE :methyl -124:sc= -1.25 (180deg=-6.21!) USER MOD Single : A 45 MET CE :methyl -155:sc= -8.68! (180deg=-10.6!) USER MOD Single : A 46 SER OG : rot -130:sc= 0.329 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.24) USER MOD Single : A 52 THR OG1 : rot -37:sc= 0.0716 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -6.3! C(o=-6.3!,f=-7.6!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.113 F(o=-0.79,f=-0.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -10.2! C(o=-12!,f=-10!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -157:sc= -0.29 (180deg=-1.31!) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.61 F(o=-9.1!,f=-1.6) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.31) USER MOD Single : A 100 MET CE :methyl -110:sc= -1.17 (180deg=-2.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0954 USER MOD Single : A 106 CYS SG : rot -19:sc= 0.157 USER MOD Single : A 110 LYS NZ :NH3+ -105:sc= 0.908 (180deg=-0.152) USER MOD Single : A 112 CYS SG : rot 110:sc= 0.147 USER MOD Single : A 133 GLN :FLIP amide:sc= -2.96! C(o=-5!,f=-3!) USER MOD Single : A 134 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0757) USER MOD Single : A 138 LYS NZ :NH3+ -159:sc= 1.07 (180deg=0.662) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -28.529 7.551 -8.847 1.00 15.50 N ATOM 2 CA MET A 29 -28.858 6.225 -8.281 1.00 14.89 C ATOM 3 C MET A 29 -27.723 5.241 -8.534 1.00 14.63 C ATOM 4 O MET A 29 -27.400 4.937 -9.683 1.00 14.97 O ATOM 5 CB MET A 29 -30.152 5.696 -8.904 1.00 14.83 C ATOM 6 CG MET A 29 -30.553 4.320 -8.400 1.00 15.02 C ATOM 7 SD MET A 29 -30.914 4.303 -6.634 1.00 15.45 S ATOM 8 CE MET A 29 -31.283 2.568 -6.389 1.00 15.28 C ATOM 0 HA MET A 29 -28.995 6.332 -7.205 1.00 14.89 H new ATOM 0 HB2 MET A 29 -30.959 6.399 -8.696 1.00 14.83 H new ATOM 0 HB3 MET A 29 -30.034 5.657 -9.987 1.00 14.83 H new ATOM 0 HG2 MET A 29 -31.430 3.978 -8.949 1.00 15.02 H new ATOM 0 HG3 MET A 29 -29.750 3.613 -8.609 1.00 15.02 H new ATOM 0 HE1 MET A 29 -31.647 2.413 -5.373 1.00 15.28 H new ATOM 0 HE2 MET A 29 -32.047 2.255 -7.100 1.00 15.28 H new ATOM 0 HE3 MET A 29 -30.379 1.978 -6.544 1.00 15.28 H new ATOM 20 N GLU A 30 -27.108 4.760 -7.462 1.00 14.20 N ATOM 21 CA GLU A 30 -26.056 3.763 -7.577 1.00 14.13 C ATOM 22 C GLU A 30 -26.666 2.398 -7.866 1.00 14.36 C ATOM 23 O GLU A 30 -27.784 2.111 -7.426 1.00 14.15 O ATOM 24 CB GLU A 30 -25.208 3.719 -6.301 1.00 13.38 C ATOM 25 CG GLU A 30 -26.002 3.419 -5.039 1.00 12.84 C ATOM 26 CD GLU A 30 -25.126 3.356 -3.805 1.00 13.13 C ATOM 27 OE1 GLU A 30 -24.554 2.280 -3.527 1.00 13.30 O ATOM 28 OE2 GLU A 30 -25.005 4.382 -3.108 1.00 13.36 O ATOM 0 H GLU A 30 -27.320 5.044 -6.506 1.00 14.20 H new ATOM 0 HA GLU A 30 -25.402 4.037 -8.404 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -24.433 2.962 -6.418 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -24.702 4.677 -6.180 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -26.764 4.187 -4.901 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -26.524 2.470 -5.159 1.00 12.84 H new ATOM 35 N CYS A 31 -25.935 1.575 -8.618 1.00 14.95 N ATOM 36 CA CYS A 31 -26.420 0.263 -9.044 1.00 15.43 C ATOM 37 C CYS A 31 -27.569 0.404 -10.040 1.00 15.40 C ATOM 38 O CYS A 31 -27.959 1.518 -10.397 1.00 15.27 O ATOM 39 CB CYS A 31 -26.832 -0.587 -7.841 1.00 16.40 C ATOM 40 SG CYS A 31 -25.479 -0.911 -6.682 1.00 17.05 S ATOM 0 H CYS A 31 -24.996 1.797 -8.947 1.00 14.95 H new ATOM 0 HA CYS A 31 -25.602 -0.251 -9.549 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -27.640 -0.083 -7.311 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -27.229 -1.538 -8.198 1.00 16.40 H new ATOM 0 HG CYS A 31 -25.005 -2.104 -6.890 1.00 17.05 H new ATOM 46 N ALA A 32 -28.091 -0.711 -10.515 1.00 15.67 N ATOM 47 CA ALA A 32 -29.156 -0.676 -11.498 1.00 15.86 C ATOM 48 C ALA A 32 -30.480 -0.320 -10.837 1.00 15.04 C ATOM 49 O ALA A 32 -31.064 0.733 -11.104 1.00 15.00 O ATOM 50 CB ALA A 32 -29.250 -2.012 -12.214 1.00 16.57 C ATOM 0 H ALA A 32 -27.797 -1.647 -10.238 1.00 15.67 H new ATOM 0 HA ALA A 32 -28.929 0.094 -12.235 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -30.053 -1.975 -12.950 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -28.306 -2.222 -12.717 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -29.458 -2.799 -11.489 1.00 16.57 H new ATOM 56 N ASP A 33 -30.931 -1.194 -9.957 1.00 14.54 N ATOM 57 CA ASP A 33 -32.193 -0.993 -9.261 1.00 13.85 C ATOM 58 C ASP A 33 -32.010 -0.997 -7.746 1.00 12.87 C ATOM 59 O ASP A 33 -32.750 -0.323 -7.028 1.00 12.61 O ATOM 60 CB ASP A 33 -33.222 -2.055 -9.679 1.00 14.29 C ATOM 61 CG ASP A 33 -32.750 -3.479 -9.446 1.00 14.46 C ATOM 62 OD1 ASP A 33 -31.898 -3.962 -10.220 1.00 14.55 O ATOM 63 OD2 ASP A 33 -33.247 -4.136 -8.506 1.00 14.65 O ATOM 0 H ASP A 33 -30.442 -2.053 -9.705 1.00 14.54 H new ATOM 0 HA ASP A 33 -32.568 -0.010 -9.547 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -34.147 -1.892 -9.125 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -33.456 -1.926 -10.736 1.00 14.29 H new ATOM 68 N VAL A 34 -31.030 -1.744 -7.253 1.00 12.51 N ATOM 69 CA VAL A 34 -30.822 -1.875 -5.814 1.00 11.75 C ATOM 70 C VAL A 34 -29.337 -1.843 -5.488 1.00 10.55 C ATOM 71 O VAL A 34 -28.562 -2.609 -6.062 1.00 10.22 O ATOM 72 CB VAL A 34 -31.440 -3.179 -5.253 1.00 12.12 C ATOM 73 CG1 VAL A 34 -31.057 -3.374 -3.794 1.00 12.06 C ATOM 74 CG2 VAL A 34 -32.956 -3.165 -5.392 1.00 12.37 C ATOM 0 H VAL A 34 -30.368 -2.268 -7.825 1.00 12.51 H new ATOM 0 HA VAL A 34 -31.324 -1.031 -5.342 1.00 11.75 H new ATOM 0 HB VAL A 34 -31.043 -4.011 -5.835 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -31.502 -4.296 -3.421 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -29.972 -3.434 -3.708 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -31.422 -2.532 -3.206 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -33.367 -4.092 -4.991 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -33.364 -2.318 -4.840 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -33.224 -3.075 -6.445 1.00 12.37 H new ATOM 84 N PRO A 35 -28.919 -0.942 -4.584 1.00 10.03 N ATOM 85 CA PRO A 35 -27.529 -0.866 -4.131 1.00 8.95 C ATOM 86 C PRO A 35 -27.019 -2.204 -3.606 1.00 8.28 C ATOM 87 O PRO A 35 -27.590 -2.795 -2.685 1.00 8.57 O ATOM 88 CB PRO A 35 -27.578 0.174 -3.010 1.00 9.02 C ATOM 89 CG PRO A 35 -28.750 1.024 -3.351 1.00 10.14 C ATOM 90 CD PRO A 35 -29.759 0.090 -3.955 1.00 10.65 C ATOM 0 HA PRO A 35 -26.847 -0.603 -4.940 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -27.698 -0.297 -2.035 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -26.660 0.760 -2.970 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -29.151 1.515 -2.464 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -28.474 1.811 -4.053 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -30.420 -0.333 -3.199 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -30.391 0.596 -4.685 1.00 10.65 H new ATOM 98 N LEU A 36 -25.934 -2.670 -4.199 1.00 7.62 N ATOM 99 CA LEU A 36 -25.341 -3.946 -3.834 1.00 7.19 C ATOM 100 C LEU A 36 -23.966 -3.716 -3.224 1.00 6.10 C ATOM 101 O LEU A 36 -22.963 -4.265 -3.680 1.00 6.10 O ATOM 102 CB LEU A 36 -25.236 -4.848 -5.069 1.00 7.86 C ATOM 103 CG LEU A 36 -26.568 -5.180 -5.747 1.00 8.90 C ATOM 104 CD1 LEU A 36 -26.329 -5.955 -7.033 1.00 9.33 C ATOM 105 CD2 LEU A 36 -27.463 -5.970 -4.803 1.00 9.55 C ATOM 0 H LEU A 36 -25.441 -2.178 -4.944 1.00 7.62 H new ATOM 0 HA LEU A 36 -25.974 -4.441 -3.098 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -24.586 -4.365 -5.798 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -24.752 -5.780 -4.778 1.00 7.86 H new ATOM 0 HG LEU A 36 -27.073 -4.247 -5.997 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -27.285 -6.184 -7.503 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -25.725 -5.354 -7.713 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -25.805 -6.884 -6.806 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -28.406 -6.198 -5.301 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -26.967 -6.899 -4.523 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -27.659 -5.380 -3.908 1.00 9.55 H new ATOM 117 N LEU A 37 -23.933 -2.883 -2.197 1.00 5.42 N ATOM 118 CA LEU A 37 -22.684 -2.505 -1.562 1.00 4.46 C ATOM 119 C LEU A 37 -22.295 -3.498 -0.476 1.00 3.64 C ATOM 120 O LEU A 37 -22.941 -3.574 0.569 1.00 3.66 O ATOM 121 CB LEU A 37 -22.795 -1.104 -0.960 1.00 4.57 C ATOM 122 CG LEU A 37 -21.552 -0.619 -0.214 1.00 4.91 C ATOM 123 CD1 LEU A 37 -20.392 -0.425 -1.178 1.00 5.34 C ATOM 124 CD2 LEU A 37 -21.853 0.665 0.542 1.00 5.26 C ATOM 0 H LEU A 37 -24.762 -2.455 -1.785 1.00 5.42 H new ATOM 0 HA LEU A 37 -21.909 -2.509 -2.328 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -23.018 -0.398 -1.760 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -23.642 -1.086 -0.274 1.00 4.57 H new ATOM 0 HG LEU A 37 -21.264 -1.380 0.511 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -19.516 -0.080 -0.629 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -20.163 -1.372 -1.667 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -20.664 0.316 -1.930 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -20.957 0.996 1.067 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -22.167 1.436 -0.161 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -22.651 0.484 1.263 1.00 5.26 H new ATOM 136 N THR A 38 -21.245 -4.256 -0.733 1.00 3.22 N ATOM 137 CA THR A 38 -20.672 -5.130 0.270 1.00 2.61 C ATOM 138 C THR A 38 -19.201 -4.778 0.467 1.00 1.98 C ATOM 139 O THR A 38 -18.349 -5.065 -0.377 1.00 2.04 O ATOM 140 CB THR A 38 -20.844 -6.626 -0.105 1.00 2.96 C ATOM 141 OG1 THR A 38 -20.115 -7.464 0.806 1.00 3.50 O ATOM 142 CG2 THR A 38 -20.397 -6.905 -1.536 1.00 3.43 C ATOM 0 H THR A 38 -20.770 -4.283 -1.635 1.00 3.22 H new ATOM 0 HA THR A 38 -21.206 -4.979 1.208 1.00 2.61 H new ATOM 0 HB THR A 38 -21.907 -6.857 -0.032 1.00 2.96 H new ATOM 0 HG1 THR A 38 -20.236 -8.403 0.555 1.00 3.50 H new ATOM 0 HG21 THR A 38 -20.533 -7.963 -1.760 1.00 3.43 H new ATOM 0 HG22 THR A 38 -20.993 -6.308 -2.226 1.00 3.43 H new ATOM 0 HG23 THR A 38 -19.345 -6.643 -1.646 1.00 3.43 H new ATOM 150 N PRO A 39 -18.892 -4.115 1.588 1.00 1.65 N ATOM 151 CA PRO A 39 -17.539 -3.670 1.907 1.00 1.21 C ATOM 152 C PRO A 39 -16.636 -4.810 2.354 1.00 1.17 C ATOM 153 O PRO A 39 -16.076 -4.775 3.446 1.00 1.62 O ATOM 154 CB PRO A 39 -17.742 -2.670 3.059 1.00 1.47 C ATOM 155 CG PRO A 39 -19.213 -2.453 3.150 1.00 1.97 C ATOM 156 CD PRO A 39 -19.843 -3.709 2.625 1.00 2.07 C ATOM 0 HA PRO A 39 -17.046 -3.242 1.034 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -17.346 -3.065 3.995 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -17.220 -1.734 2.862 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -19.518 -2.263 4.179 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -19.518 -1.587 2.562 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -19.949 -4.467 3.401 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -20.838 -3.527 2.218 1.00 2.07 H new ATOM 164 N SER A 40 -16.487 -5.815 1.509 1.00 0.90 N ATOM 165 CA SER A 40 -15.666 -6.954 1.858 1.00 0.95 C ATOM 166 C SER A 40 -14.219 -6.748 1.419 1.00 0.90 C ATOM 167 O SER A 40 -13.319 -6.708 2.258 1.00 0.97 O ATOM 168 CB SER A 40 -16.238 -8.234 1.234 1.00 1.11 C ATOM 169 OG SER A 40 -15.551 -9.389 1.693 1.00 1.74 O ATOM 0 H SER A 40 -16.920 -5.863 0.587 1.00 0.90 H new ATOM 0 HA SER A 40 -15.675 -7.056 2.943 1.00 0.95 H new ATOM 0 HB2 SER A 40 -17.297 -8.318 1.479 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.166 -8.174 0.148 1.00 1.11 H new ATOM 0 HG SER A 40 -15.940 -10.187 1.279 1.00 1.74 H new ATOM 175 N SER A 41 -13.981 -6.611 0.116 1.00 0.87 N ATOM 176 CA SER A 41 -12.613 -6.524 -0.366 1.00 0.90 C ATOM 177 C SER A 41 -12.084 -5.090 -0.446 1.00 0.76 C ATOM 178 O SER A 41 -11.276 -4.676 0.381 1.00 0.83 O ATOM 179 CB SER A 41 -12.522 -7.198 -1.737 1.00 1.08 C ATOM 180 OG SER A 41 -13.543 -6.726 -2.603 1.00 1.76 O ATOM 0 H SER A 41 -14.700 -6.559 -0.605 1.00 0.87 H new ATOM 0 HA SER A 41 -11.982 -7.038 0.359 1.00 0.90 H new ATOM 0 HB2 SER A 41 -11.545 -7.001 -2.179 1.00 1.08 H new ATOM 0 HB3 SER A 41 -12.608 -8.278 -1.622 1.00 1.08 H new ATOM 0 HG SER A 41 -13.464 -7.169 -3.474 1.00 1.76 H new ATOM 186 N LYS A 42 -12.586 -4.303 -1.389 1.00 0.66 N ATOM 187 CA LYS A 42 -11.975 -3.007 -1.652 1.00 0.58 C ATOM 188 C LYS A 42 -12.546 -1.907 -0.779 1.00 0.51 C ATOM 189 O LYS A 42 -11.842 -0.962 -0.449 1.00 0.55 O ATOM 190 CB LYS A 42 -12.105 -2.596 -3.116 1.00 0.62 C ATOM 191 CG LYS A 42 -11.081 -1.541 -3.529 1.00 0.61 C ATOM 192 CD LYS A 42 -9.787 -2.181 -4.007 1.00 0.86 C ATOM 193 CE LYS A 42 -8.778 -1.135 -4.454 1.00 1.40 C ATOM 194 NZ LYS A 42 -9.177 -0.482 -5.729 1.00 1.90 N ATOM 0 H LYS A 42 -13.393 -4.530 -1.970 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.920 -3.133 -1.409 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.987 -3.477 -3.747 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -13.109 -2.210 -3.292 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -11.496 -0.920 -4.323 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -10.873 -0.883 -2.685 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -9.359 -2.781 -3.204 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -9.999 -2.859 -4.833 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -8.673 -0.378 -3.677 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -7.801 -1.603 -4.577 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -8.415 0.149 -6.049 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -9.351 -1.209 -6.452 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -10.044 0.072 -5.579 1.00 1.90 H new ATOM 208 N GLU A 43 -13.811 -2.011 -0.399 1.00 0.48 N ATOM 209 CA GLU A 43 -14.459 -0.909 0.299 1.00 0.47 C ATOM 210 C GLU A 43 -13.812 -0.685 1.663 1.00 0.41 C ATOM 211 O GLU A 43 -13.768 0.440 2.160 1.00 0.42 O ATOM 212 CB GLU A 43 -15.958 -1.159 0.444 1.00 0.57 C ATOM 213 CG GLU A 43 -16.731 0.049 0.950 1.00 1.04 C ATOM 214 CD GLU A 43 -16.537 1.271 0.073 1.00 1.57 C ATOM 215 OE1 GLU A 43 -17.113 1.316 -1.034 1.00 1.68 O ATOM 216 OE2 GLU A 43 -15.806 2.192 0.484 1.00 2.23 O ATOM 0 H GLU A 43 -14.400 -2.829 -0.557 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.327 -0.005 -0.296 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.363 -1.460 -0.522 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -16.114 -1.993 1.129 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.792 -0.196 0.997 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.412 0.281 1.966 1.00 1.04 H new ATOM 223 N MET A 44 -13.310 -1.759 2.267 1.00 0.41 N ATOM 224 CA MET A 44 -12.519 -1.645 3.487 1.00 0.41 C ATOM 225 C MET A 44 -11.345 -0.698 3.276 1.00 0.31 C ATOM 226 O MET A 44 -11.236 0.316 3.951 1.00 0.28 O ATOM 227 CB MET A 44 -12.005 -3.015 3.937 1.00 0.50 C ATOM 228 CG MET A 44 -13.077 -3.943 4.499 1.00 0.82 C ATOM 229 SD MET A 44 -13.819 -3.334 6.034 1.00 1.59 S ATOM 230 CE MET A 44 -15.250 -2.442 5.420 1.00 1.62 C ATOM 0 H MET A 44 -13.437 -2.714 1.932 1.00 0.41 H new ATOM 0 HA MET A 44 -13.165 -1.243 4.267 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.527 -3.505 3.089 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.236 -2.869 4.696 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.860 -4.076 3.753 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.639 -4.925 4.680 1.00 0.82 H new ATOM 0 HE1 MET A 44 -15.218 -1.413 5.778 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.242 -2.448 4.330 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.160 -2.923 5.779 1.00 1.62 H new ATOM 240 N MET A 45 -10.473 -1.028 2.332 1.00 0.28 N ATOM 241 CA MET A 45 -9.325 -0.178 2.027 1.00 0.22 C ATOM 242 C MET A 45 -9.758 1.159 1.426 1.00 0.20 C ATOM 243 O MET A 45 -9.072 2.161 1.576 1.00 0.20 O ATOM 244 CB MET A 45 -8.365 -0.892 1.080 1.00 0.24 C ATOM 245 CG MET A 45 -8.941 -1.140 -0.299 1.00 0.32 C ATOM 246 SD MET A 45 -8.107 -2.469 -1.175 1.00 0.98 S ATOM 247 CE MET A 45 -6.469 -1.783 -1.316 1.00 0.22 C ATOM 0 H MET A 45 -10.536 -1.874 1.766 1.00 0.28 H new ATOM 0 HA MET A 45 -8.811 0.026 2.966 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.456 -0.298 0.983 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.077 -1.846 1.521 1.00 0.24 H new ATOM 0 HG2 MET A 45 -10.000 -1.380 -0.207 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.872 -0.224 -0.886 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.961 -2.227 -2.172 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.537 -0.704 -1.454 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.905 -1.998 -0.408 1.00 0.22 H new ATOM 257 N SER A 46 -10.875 1.166 0.727 1.00 0.24 N ATOM 258 CA SER A 46 -11.440 2.402 0.212 1.00 0.30 C ATOM 259 C SER A 46 -11.602 3.418 1.339 1.00 0.27 C ATOM 260 O SER A 46 -11.111 4.544 1.259 1.00 0.30 O ATOM 261 CB SER A 46 -12.781 2.110 -0.458 1.00 0.39 C ATOM 262 OG SER A 46 -13.440 3.293 -0.875 1.00 0.53 O ATOM 0 H SER A 46 -11.412 0.329 0.501 1.00 0.24 H new ATOM 0 HA SER A 46 -10.765 2.828 -0.530 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.621 1.462 -1.320 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.421 1.565 0.236 1.00 0.39 H new ATOM 0 HG SER A 46 -14.365 3.284 -0.551 1.00 0.53 H new ATOM 268 N GLN A 47 -12.290 3.019 2.393 1.00 0.25 N ATOM 269 CA GLN A 47 -12.438 3.884 3.546 1.00 0.27 C ATOM 270 C GLN A 47 -11.161 3.928 4.391 1.00 0.24 C ATOM 271 O GLN A 47 -10.673 5.008 4.712 1.00 0.29 O ATOM 272 CB GLN A 47 -13.658 3.484 4.386 1.00 0.30 C ATOM 273 CG GLN A 47 -13.668 2.031 4.830 1.00 0.33 C ATOM 274 CD GLN A 47 -15.010 1.602 5.376 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.873 1.125 4.494 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -15.270 1.703 6.576 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.750 2.112 2.474 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.609 4.895 3.176 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.700 4.121 5.269 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.561 3.681 3.808 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.403 1.395 3.986 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.904 1.882 5.594 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.572 2.077 7.219 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.183 1.413 6.926 1.00 1.11 H new ATOM 285 N ALA A 48 -10.615 2.764 4.741 1.00 0.21 N ATOM 286 CA ALA A 48 -9.459 2.708 5.634 1.00 0.22 C ATOM 287 C ALA A 48 -8.192 3.240 4.980 1.00 0.20 C ATOM 288 O ALA A 48 -7.592 4.172 5.494 1.00 0.22 O ATOM 289 CB ALA A 48 -9.215 1.292 6.135 1.00 0.24 C ATOM 0 H ALA A 48 -10.951 1.855 4.423 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.699 3.353 6.479 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.349 1.284 6.797 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.092 0.943 6.681 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.030 0.633 5.287 1.00 0.24 H new ATOM 295 N LEU A 49 -7.807 2.695 3.827 1.00 0.18 N ATOM 296 CA LEU A 49 -6.525 3.040 3.215 1.00 0.18 C ATOM 297 C LEU A 49 -6.538 4.439 2.662 1.00 0.19 C ATOM 298 O LEU A 49 -5.710 5.270 3.021 1.00 0.21 O ATOM 299 CB LEU A 49 -6.184 2.102 2.051 1.00 0.23 C ATOM 300 CG LEU A 49 -5.236 0.960 2.363 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.837 0.288 1.067 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.006 1.451 3.121 1.00 0.58 C ATOM 0 H LEU A 49 -8.360 2.018 3.301 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.783 2.948 4.008 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.113 1.680 1.668 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.750 2.697 1.248 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.743 0.241 3.007 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -4.155 -0.535 1.279 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.726 -0.097 0.568 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.342 1.012 0.419 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.347 0.608 3.329 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.475 2.186 2.516 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.316 1.910 4.060 1.00 0.58 H new ATOM 314 N LYS A 50 -7.480 4.684 1.774 1.00 0.19 N ATOM 315 CA LYS A 50 -7.498 5.914 1.015 1.00 0.21 C ATOM 316 C LYS A 50 -7.584 7.128 1.945 1.00 0.23 C ATOM 317 O LYS A 50 -7.069 8.201 1.633 1.00 0.27 O ATOM 318 CB LYS A 50 -8.644 5.875 0.005 1.00 0.22 C ATOM 319 CG LYS A 50 -8.723 4.554 -0.758 1.00 0.20 C ATOM 320 CD LYS A 50 -7.422 4.245 -1.494 1.00 0.21 C ATOM 321 CE LYS A 50 -7.186 5.208 -2.647 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.998 4.853 -3.837 1.00 0.55 N ATOM 0 H LYS A 50 -8.245 4.044 1.561 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.565 6.013 0.461 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.586 6.044 0.526 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.522 6.692 -0.706 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.948 3.746 -0.062 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.544 4.596 -1.474 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.587 4.301 -0.796 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.452 3.224 -1.873 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.430 6.222 -2.330 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.129 5.204 -2.914 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.835 5.552 -4.590 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.723 3.909 -4.176 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.006 4.849 -3.581 1.00 0.55 H new ATOM 336 N ALA A 51 -8.225 6.938 3.092 1.00 0.22 N ATOM 337 CA ALA A 51 -8.249 7.957 4.134 1.00 0.23 C ATOM 338 C ALA A 51 -6.947 7.968 4.946 1.00 0.23 C ATOM 339 O ALA A 51 -6.399 9.030 5.239 1.00 0.26 O ATOM 340 CB ALA A 51 -9.438 7.758 5.053 1.00 0.25 C ATOM 0 H ALA A 51 -8.736 6.086 3.324 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.344 8.924 3.640 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.436 8.530 5.823 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.360 7.825 4.475 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.374 6.776 5.523 1.00 0.25 H new ATOM 346 N THR A 52 -6.449 6.778 5.290 1.00 0.21 N ATOM 347 CA THR A 52 -5.345 6.645 6.242 1.00 0.22 C ATOM 348 C THR A 52 -4.009 7.078 5.651 1.00 0.21 C ATOM 349 O THR A 52 -3.042 7.265 6.386 1.00 0.23 O ATOM 350 CB THR A 52 -5.213 5.186 6.747 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.449 5.145 7.961 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.550 4.288 5.698 1.00 0.18 C ATOM 0 H THR A 52 -6.794 5.891 4.922 1.00 0.21 H new ATOM 0 HA THR A 52 -5.588 7.306 7.074 1.00 0.22 H new ATOM 0 HB THR A 52 -6.219 4.812 6.935 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.731 5.810 7.918 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.473 3.272 6.085 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.151 4.285 4.789 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.553 4.667 5.473 1.00 0.18 H new ATOM 360 N PHE A 53 -3.965 7.258 4.334 1.00 0.23 N ATOM 361 CA PHE A 53 -2.701 7.451 3.628 1.00 0.27 C ATOM 362 C PHE A 53 -1.854 8.575 4.207 1.00 0.32 C ATOM 363 O PHE A 53 -0.624 8.504 4.165 1.00 0.34 O ATOM 364 CB PHE A 53 -2.931 7.709 2.144 1.00 0.31 C ATOM 365 CG PHE A 53 -3.361 6.492 1.394 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.831 5.254 1.694 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.308 6.585 0.390 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.235 4.134 1.004 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.715 5.465 -0.301 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.138 4.227 -0.001 1.00 0.38 C ATOM 0 H PHE A 53 -4.790 7.274 3.734 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.149 6.520 3.760 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.689 8.484 2.030 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.012 8.094 1.702 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.093 5.163 2.477 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.733 7.547 0.145 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.827 3.169 1.267 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.472 5.542 -1.067 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.411 3.349 -0.568 1.00 0.38 H new ATOM 380 N SER A 54 -2.504 9.586 4.763 1.00 0.36 N ATOM 381 CA SER A 54 -1.797 10.725 5.324 1.00 0.44 C ATOM 382 C SER A 54 -0.879 10.288 6.462 1.00 0.39 C ATOM 383 O SER A 54 0.126 10.934 6.737 1.00 0.46 O ATOM 384 CB SER A 54 -2.802 11.770 5.815 1.00 0.55 C ATOM 385 OG SER A 54 -3.752 11.192 6.695 1.00 1.37 O ATOM 0 H SER A 54 -3.520 9.640 4.837 1.00 0.36 H new ATOM 0 HA SER A 54 -1.177 11.169 4.545 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.274 12.576 6.324 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.315 12.214 4.962 1.00 0.55 H new ATOM 0 HG SER A 54 -4.381 11.881 6.995 1.00 1.37 H new ATOM 391 N GLY A 55 -1.224 9.172 7.096 1.00 0.31 N ATOM 392 CA GLY A 55 -0.442 8.652 8.199 1.00 0.28 C ATOM 393 C GLY A 55 1.023 8.467 7.856 1.00 0.22 C ATOM 394 O GLY A 55 1.890 9.118 8.441 1.00 0.25 O ATOM 0 H GLY A 55 -2.044 8.613 6.860 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.527 9.330 9.048 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.859 7.695 8.512 1.00 0.28 H new ATOM 398 N PHE A 56 1.309 7.594 6.897 1.00 0.15 N ATOM 399 CA PHE A 56 2.688 7.322 6.519 1.00 0.12 C ATOM 400 C PHE A 56 3.229 8.453 5.683 1.00 0.13 C ATOM 401 O PHE A 56 4.291 8.963 5.958 1.00 0.17 O ATOM 402 CB PHE A 56 2.823 6.017 5.733 1.00 0.13 C ATOM 403 CG PHE A 56 4.244 5.710 5.348 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.110 5.122 6.256 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.718 6.028 4.086 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.422 4.857 5.911 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.027 5.762 3.734 1.00 0.26 C ATOM 408 CZ PHE A 56 6.881 5.178 4.649 1.00 0.28 C ATOM 0 H PHE A 56 0.611 7.067 6.372 1.00 0.15 H new ATOM 0 HA PHE A 56 3.259 7.226 7.443 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.429 5.196 6.331 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.213 6.077 4.832 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.756 4.868 7.244 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.056 6.490 3.368 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.087 4.399 6.628 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.382 6.010 2.745 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.906 4.973 4.378 1.00 0.28 H new ATOM 418 N THR A 57 2.463 8.856 4.687 1.00 0.16 N ATOM 419 CA THR A 57 2.905 9.863 3.718 1.00 0.24 C ATOM 420 C THR A 57 3.385 11.152 4.403 1.00 0.26 C ATOM 421 O THR A 57 4.294 11.829 3.918 1.00 0.35 O ATOM 422 CB THR A 57 1.772 10.208 2.743 1.00 0.32 C ATOM 423 OG1 THR A 57 1.295 9.014 2.100 1.00 0.39 O ATOM 424 CG2 THR A 57 2.238 11.197 1.685 1.00 0.46 C ATOM 0 H THR A 57 1.521 8.502 4.520 1.00 0.16 H new ATOM 0 HA THR A 57 3.744 9.429 3.175 1.00 0.24 H new ATOM 0 HB THR A 57 0.966 10.666 3.316 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.594 8.605 2.649 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.413 11.422 1.009 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.573 12.115 2.168 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.063 10.763 1.119 1.00 0.46 H new ATOM 432 N LYS A 58 2.804 11.460 5.557 1.00 0.24 N ATOM 433 CA LYS A 58 3.136 12.692 6.264 1.00 0.31 C ATOM 434 C LYS A 58 4.429 12.511 7.052 1.00 0.29 C ATOM 435 O LYS A 58 5.275 13.404 7.107 1.00 0.31 O ATOM 436 CB LYS A 58 1.970 13.139 7.162 1.00 0.39 C ATOM 437 CG LYS A 58 2.364 13.631 8.549 1.00 0.50 C ATOM 438 CD LYS A 58 2.201 12.528 9.586 1.00 1.34 C ATOM 439 CE LYS A 58 2.515 13.020 10.988 1.00 1.93 C ATOM 440 NZ LYS A 58 2.200 11.993 12.016 1.00 2.52 N ATOM 0 H LYS A 58 2.106 10.879 6.020 1.00 0.24 H new ATOM 0 HA LYS A 58 3.299 13.487 5.536 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.427 13.935 6.653 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.279 12.303 7.274 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.399 13.974 8.537 1.00 0.50 H new ATOM 0 HG3 LYS A 58 1.748 14.487 8.824 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.180 12.148 9.555 1.00 1.34 H new ATOM 0 HD3 LYS A 58 2.859 11.695 9.337 1.00 1.34 H new ATOM 0 HE2 LYS A 58 3.570 13.287 11.052 1.00 1.93 H new ATOM 0 HE3 LYS A 58 1.944 13.926 11.192 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 2.428 12.365 12.960 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 1.188 11.757 11.972 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 2.764 11.138 11.836 1.00 2.52 H new ATOM 454 N GLU A 59 4.587 11.332 7.636 1.00 0.26 N ATOM 455 CA GLU A 59 5.767 11.019 8.422 1.00 0.25 C ATOM 456 C GLU A 59 6.895 10.543 7.508 1.00 0.21 C ATOM 457 O GLU A 59 8.069 10.624 7.846 1.00 0.24 O ATOM 458 CB GLU A 59 5.426 9.989 9.500 1.00 0.31 C ATOM 459 CG GLU A 59 6.476 8.931 9.703 1.00 0.43 C ATOM 460 CD GLU A 59 6.690 8.631 11.170 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.291 9.463 11.871 1.00 0.98 O ATOM 462 OE2 GLU A 59 6.293 7.535 11.617 1.00 0.97 O ATOM 0 H GLU A 59 3.907 10.574 7.578 1.00 0.26 H new ATOM 0 HA GLU A 59 6.115 11.918 8.930 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.264 10.509 10.444 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.485 9.505 9.238 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.179 8.019 9.184 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.415 9.260 9.258 1.00 0.43 H new ATOM 469 N GLN A 60 6.509 10.049 6.350 1.00 0.19 N ATOM 470 CA GLN A 60 7.431 9.687 5.290 1.00 0.19 C ATOM 471 C GLN A 60 8.312 10.875 4.967 1.00 0.22 C ATOM 472 O GLN A 60 9.533 10.779 4.954 1.00 0.23 O ATOM 473 CB GLN A 60 6.617 9.281 4.066 1.00 0.21 C ATOM 474 CG GLN A 60 7.426 8.971 2.833 1.00 0.28 C ATOM 475 CD GLN A 60 6.524 8.701 1.651 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.421 9.234 1.568 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.987 7.890 0.731 1.00 0.26 N ATOM 0 H GLN A 60 5.530 9.885 6.114 1.00 0.19 H new ATOM 0 HA GLN A 60 8.066 8.857 5.599 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.021 8.405 4.320 1.00 0.21 H new ATOM 0 HB3 GLN A 60 5.919 10.084 3.831 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.088 9.807 2.607 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.060 8.104 3.018 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.909 7.469 0.840 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.425 7.680 -0.094 1.00 0.26 H new ATOM 486 N GLN A 61 7.667 12.006 4.756 1.00 0.28 N ATOM 487 CA GLN A 61 8.365 13.260 4.506 1.00 0.34 C ATOM 488 C GLN A 61 9.238 13.616 5.708 1.00 0.34 C ATOM 489 O GLN A 61 10.354 14.121 5.569 1.00 0.37 O ATOM 490 CB GLN A 61 7.352 14.376 4.276 1.00 0.45 C ATOM 491 CG GLN A 61 6.460 14.158 3.064 1.00 0.58 C ATOM 492 CD GLN A 61 7.251 13.968 1.784 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.559 12.722 1.457 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.576 14.931 1.091 1.00 1.12 N flip ATOM 0 H GLN A 61 6.650 12.086 4.752 1.00 0.28 H new ATOM 0 HA GLN A 61 8.992 13.146 3.621 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.726 14.474 5.163 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.886 15.319 4.157 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.832 13.283 3.232 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.792 15.012 2.951 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.319 15.876 1.378 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.102 14.785 0.229 1.00 1.12 H new ATOM 503 N ARG A 62 8.706 13.313 6.884 1.00 0.34 N ATOM 504 CA ARG A 62 9.338 13.630 8.160 1.00 0.39 C ATOM 505 C ARG A 62 10.610 12.809 8.359 1.00 0.36 C ATOM 506 O ARG A 62 11.649 13.326 8.761 1.00 0.41 O ATOM 507 CB ARG A 62 8.338 13.326 9.274 1.00 0.44 C ATOM 508 CG ARG A 62 8.768 13.791 10.643 1.00 0.58 C ATOM 509 CD ARG A 62 8.856 15.303 10.702 1.00 1.13 C ATOM 510 NE ARG A 62 9.287 15.765 12.012 1.00 1.93 N ATOM 511 CZ ARG A 62 8.874 16.904 12.570 1.00 2.74 C ATOM 512 NH1 ARG A 62 8.049 17.707 11.903 1.00 2.99 N ATOM 513 NH2 ARG A 62 9.287 17.247 13.784 1.00 3.73 N ATOM 0 H ARG A 62 7.811 12.833 6.981 1.00 0.34 H new ATOM 0 HA ARG A 62 9.619 14.683 8.177 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.385 13.794 9.028 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.166 12.250 9.307 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.059 13.435 11.391 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.737 13.357 10.890 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.554 15.657 9.943 1.00 1.13 H new ATOM 0 HD3 ARG A 62 7.883 15.734 10.466 1.00 1.13 H new ATOM 0 HE ARG A 62 9.943 15.184 12.534 1.00 1.93 H new ATOM 0 HH11 ARG A 62 7.734 17.451 10.967 1.00 2.99 H new ATOM 0 HH12 ARG A 62 7.732 18.579 12.327 1.00 2.99 H new ATOM 0 HH21 ARG A 62 9.925 16.638 14.297 1.00 3.73 H new ATOM 0 HH22 ARG A 62 8.967 18.120 14.204 1.00 3.73 H new ATOM 527 N LEU A 63 10.502 11.522 8.074 1.00 0.30 N ATOM 528 CA LEU A 63 11.626 10.588 8.124 1.00 0.32 C ATOM 529 C LEU A 63 12.601 10.822 6.987 1.00 0.31 C ATOM 530 O LEU A 63 13.558 10.062 6.814 1.00 0.37 O ATOM 531 CB LEU A 63 11.105 9.150 8.088 1.00 0.33 C ATOM 532 CG LEU A 63 10.420 8.683 9.372 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.488 7.516 9.089 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.458 8.289 10.409 1.00 0.65 C ATOM 0 H LEU A 63 9.622 11.086 7.797 1.00 0.30 H new ATOM 0 HA LEU A 63 12.164 10.758 9.057 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.400 9.055 7.262 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.939 8.482 7.874 1.00 0.33 H new ATOM 0 HG LEU A 63 9.827 9.509 9.765 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.010 7.199 10.016 1.00 1.01 H new ATOM 0 HD12 LEU A 63 8.725 7.825 8.375 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.060 6.686 8.673 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.956 7.958 11.319 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.073 7.478 10.018 1.00 0.65 H new ATOM 0 HD23 LEU A 63 12.091 9.147 10.635 1.00 0.65 H new ATOM 546 N GLY A 64 12.365 11.876 6.220 1.00 0.28 N ATOM 547 CA GLY A 64 13.201 12.159 5.082 1.00 0.30 C ATOM 548 C GLY A 64 13.046 11.107 4.017 1.00 0.27 C ATOM 549 O GLY A 64 13.851 11.029 3.091 1.00 0.33 O ATOM 0 H GLY A 64 11.605 12.540 6.370 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.943 13.136 4.672 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.243 12.210 5.397 1.00 0.30 H new ATOM 553 N ILE A 65 11.996 10.301 4.141 1.00 0.22 N ATOM 554 CA ILE A 65 11.758 9.241 3.202 1.00 0.20 C ATOM 555 C ILE A 65 11.165 9.833 1.938 1.00 0.21 C ATOM 556 O ILE A 65 10.188 10.582 1.999 1.00 0.23 O ATOM 557 CB ILE A 65 10.799 8.148 3.736 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.361 7.491 4.999 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.547 7.093 2.660 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.567 6.280 5.458 1.00 0.20 C ATOM 0 H ILE A 65 11.304 10.372 4.887 1.00 0.22 H new ATOM 0 HA ILE A 65 12.718 8.760 3.014 1.00 0.20 H new ATOM 0 HB ILE A 65 9.853 8.625 3.994 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.392 7.190 4.814 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.383 8.227 5.803 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.871 6.331 3.049 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.098 7.565 1.786 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.492 6.630 2.376 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.023 5.866 6.357 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.541 6.578 5.675 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.567 5.526 4.671 1.00 0.20 H new ATOM 572 N PRO A 66 11.777 9.552 0.791 1.00 0.24 N ATOM 573 CA PRO A 66 11.235 9.941 -0.505 1.00 0.27 C ATOM 574 C PRO A 66 9.760 9.564 -0.623 1.00 0.22 C ATOM 575 O PRO A 66 9.380 8.464 -0.260 1.00 0.23 O ATOM 576 CB PRO A 66 12.062 9.114 -1.481 1.00 0.35 C ATOM 577 CG PRO A 66 13.353 8.852 -0.794 1.00 0.26 C ATOM 578 CD PRO A 66 13.064 8.847 0.678 1.00 0.31 C ATOM 0 HA PRO A 66 11.287 11.016 -0.679 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.556 8.182 -1.731 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.218 9.653 -2.416 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.772 7.897 -1.109 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.086 9.619 -1.042 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.998 7.831 1.068 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.848 9.355 1.240 1.00 0.31 H new ATOM 586 N LYS A 67 8.938 10.497 -1.087 1.00 0.25 N ATOM 587 CA LYS A 67 7.499 10.260 -1.260 1.00 0.27 C ATOM 588 C LYS A 67 7.231 9.161 -2.293 1.00 0.25 C ATOM 589 O LYS A 67 6.247 8.430 -2.204 1.00 0.36 O ATOM 590 CB LYS A 67 6.816 11.554 -1.714 1.00 0.43 C ATOM 591 CG LYS A 67 7.439 12.132 -2.976 1.00 1.04 C ATOM 592 CD LYS A 67 6.704 13.364 -3.475 1.00 1.15 C ATOM 593 CE LYS A 67 7.340 13.899 -4.752 1.00 1.67 C ATOM 594 NZ LYS A 67 6.685 15.143 -5.225 1.00 2.42 N ATOM 0 H LYS A 67 9.241 11.434 -1.354 1.00 0.25 H new ATOM 0 HA LYS A 67 7.095 9.935 -0.301 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.758 11.359 -1.892 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.874 12.292 -0.914 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.480 12.389 -2.779 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.441 11.372 -3.758 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.659 13.118 -3.661 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.718 14.137 -2.706 1.00 1.15 H new ATOM 0 HE2 LYS A 67 8.398 14.092 -4.576 1.00 1.67 H new ATOM 0 HE3 LYS A 67 7.280 13.140 -5.532 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 7.150 15.471 -6.096 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 5.681 14.954 -5.419 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 6.764 15.877 -4.493 1.00 2.42 H new ATOM 608 N ASP A 68 8.128 9.063 -3.256 1.00 0.28 N ATOM 609 CA ASP A 68 7.987 8.149 -4.383 1.00 0.28 C ATOM 610 C ASP A 68 8.522 6.771 -4.016 1.00 0.21 C ATOM 611 O ASP A 68 9.321 6.648 -3.102 1.00 0.23 O ATOM 612 CB ASP A 68 8.744 8.749 -5.574 1.00 0.39 C ATOM 613 CG ASP A 68 8.716 7.894 -6.814 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.734 7.984 -7.568 1.00 1.65 O ATOM 615 OD2 ASP A 68 9.665 7.113 -7.031 1.00 1.88 O ATOM 0 H ASP A 68 8.983 9.618 -3.282 1.00 0.28 H new ATOM 0 HA ASP A 68 6.937 8.022 -4.648 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.317 9.724 -5.808 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.781 8.917 -5.284 1.00 0.39 H new ATOM 620 N PRO A 69 8.033 5.707 -4.665 1.00 0.19 N ATOM 621 CA PRO A 69 8.545 4.349 -4.458 1.00 0.20 C ATOM 622 C PRO A 69 9.891 4.086 -5.128 1.00 0.26 C ATOM 623 O PRO A 69 10.837 3.691 -4.465 1.00 0.65 O ATOM 624 CB PRO A 69 7.483 3.453 -5.106 1.00 0.40 C ATOM 625 CG PRO A 69 6.339 4.344 -5.463 1.00 0.37 C ATOM 626 CD PRO A 69 6.896 5.724 -5.593 1.00 0.22 C ATOM 0 HA PRO A 69 8.715 4.169 -3.396 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.881 2.958 -5.992 1.00 0.40 H new ATOM 0 HB3 PRO A 69 7.165 2.669 -4.419 1.00 0.40 H new ATOM 0 HG2 PRO A 69 5.875 4.024 -6.396 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.566 4.309 -4.695 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.211 5.938 -6.614 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.163 6.483 -5.320 1.00 0.22 H new ATOM 634 N ARG A 70 9.978 4.363 -6.426 1.00 0.20 N ATOM 635 CA ARG A 70 11.042 3.818 -7.290 1.00 0.26 C ATOM 636 C ARG A 70 12.459 4.335 -6.984 1.00 0.19 C ATOM 637 O ARG A 70 13.385 4.085 -7.755 1.00 0.27 O ATOM 638 CB ARG A 70 10.718 3.981 -8.789 1.00 0.46 C ATOM 639 CG ARG A 70 9.974 5.251 -9.164 1.00 0.96 C ATOM 640 CD ARG A 70 8.469 5.104 -8.966 1.00 0.87 C ATOM 641 NE ARG A 70 7.754 5.060 -10.239 1.00 1.06 N ATOM 642 CZ ARG A 70 6.902 6.003 -10.649 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.671 7.080 -9.903 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.294 5.878 -11.819 1.00 1.79 N ATOM 0 H ARG A 70 9.319 4.969 -6.915 1.00 0.20 H new ATOM 0 HA ARG A 70 11.056 2.756 -7.045 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.652 3.949 -9.350 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.124 3.125 -9.109 1.00 0.46 H new ATOM 0 HG2 ARG A 70 10.341 6.080 -8.559 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.181 5.500 -10.205 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.264 4.193 -8.403 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.098 5.938 -8.370 1.00 0.87 H new ATOM 0 HE ARG A 70 7.915 4.261 -10.852 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.147 7.192 -9.008 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.018 7.794 -10.226 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.477 5.063 -12.404 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.643 6.597 -12.135 1.00 1.79 H new ATOM 658 N GLN A 71 12.644 5.044 -5.881 1.00 0.16 N ATOM 659 CA GLN A 71 13.993 5.425 -5.461 1.00 0.16 C ATOM 660 C GLN A 71 14.253 5.063 -3.995 1.00 0.15 C ATOM 661 O GLN A 71 15.227 5.518 -3.389 1.00 0.18 O ATOM 662 CB GLN A 71 14.245 6.923 -5.672 1.00 0.20 C ATOM 663 CG GLN A 71 13.723 7.784 -4.535 1.00 0.38 C ATOM 664 CD GLN A 71 12.227 7.680 -4.378 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.766 6.625 -3.713 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.496 8.511 -4.890 1.00 0.29 N flip ATOM 0 H GLN A 71 11.895 5.365 -5.267 1.00 0.16 H new ATOM 0 HA GLN A 71 14.684 4.860 -6.087 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.316 7.092 -5.785 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.773 7.237 -6.603 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.205 7.484 -3.605 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.996 8.824 -4.715 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.897 9.304 -5.390 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.483 8.413 -4.818 1.00 0.29 H new ATOM 675 N TRP A 72 13.402 4.220 -3.430 1.00 0.12 N ATOM 676 CA TRP A 72 13.493 3.869 -2.024 1.00 0.11 C ATOM 677 C TRP A 72 14.604 2.865 -1.776 1.00 0.12 C ATOM 678 O TRP A 72 15.107 2.229 -2.697 1.00 0.14 O ATOM 679 CB TRP A 72 12.167 3.234 -1.584 1.00 0.11 C ATOM 680 CG TRP A 72 11.137 4.194 -1.100 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.308 5.503 -0.778 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.761 3.898 -0.868 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.115 6.039 -0.377 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.148 5.075 -0.424 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.989 2.752 -1.003 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.790 5.137 -0.115 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.648 2.812 -0.695 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.060 3.998 -0.257 1.00 0.10 C ATOM 0 H TRP A 72 12.637 3.765 -3.928 1.00 0.12 H new ATOM 0 HA TRP A 72 13.705 4.777 -1.459 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.754 2.674 -2.423 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.372 2.515 -0.791 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.244 6.039 -0.831 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.970 7.006 -0.088 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.433 1.828 -1.344 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.334 6.055 0.225 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.041 1.924 -0.795 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.005 4.013 -0.026 1.00 0.10 H new ATOM 699 N THR A 73 15.033 2.784 -0.536 1.00 0.14 N ATOM 700 CA THR A 73 15.887 1.705 -0.101 1.00 0.15 C ATOM 701 C THR A 73 15.015 0.560 0.386 1.00 0.15 C ATOM 702 O THR A 73 13.798 0.736 0.514 1.00 0.16 O ATOM 703 CB THR A 73 16.811 2.169 1.038 1.00 0.18 C ATOM 704 OG1 THR A 73 16.017 2.692 2.115 1.00 0.19 O ATOM 705 CG2 THR A 73 17.778 3.241 0.556 1.00 0.21 C ATOM 0 H THR A 73 14.801 3.459 0.193 1.00 0.14 H new ATOM 0 HA THR A 73 16.508 1.380 -0.936 1.00 0.15 H new ATOM 0 HB THR A 73 17.390 1.312 1.382 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.705 3.592 1.884 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.419 3.551 1.381 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.393 2.841 -0.250 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.216 4.101 0.191 1.00 0.21 H new ATOM 713 N GLU A 74 15.607 -0.594 0.653 1.00 0.17 N ATOM 714 CA GLU A 74 14.852 -1.720 1.188 1.00 0.20 C ATOM 715 C GLU A 74 14.084 -1.301 2.435 1.00 0.19 C ATOM 716 O GLU A 74 12.910 -1.642 2.603 1.00 0.28 O ATOM 717 CB GLU A 74 15.780 -2.881 1.527 1.00 0.29 C ATOM 718 CG GLU A 74 16.436 -3.523 0.318 1.00 1.25 C ATOM 719 CD GLU A 74 17.315 -4.688 0.704 1.00 1.79 C ATOM 720 OE1 GLU A 74 16.788 -5.811 0.855 1.00 2.67 O ATOM 721 OE2 GLU A 74 18.533 -4.483 0.875 1.00 1.99 O ATOM 0 H GLU A 74 16.600 -0.776 0.510 1.00 0.17 H new ATOM 0 HA GLU A 74 14.146 -2.044 0.424 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.558 -2.525 2.203 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.213 -3.640 2.065 1.00 0.29 H new ATOM 0 HG2 GLU A 74 15.666 -3.864 -0.374 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.032 -2.778 -0.209 1.00 1.25 H new ATOM 728 N THR A 75 14.751 -0.536 3.293 1.00 0.18 N ATOM 729 CA THR A 75 14.154 -0.059 4.527 1.00 0.21 C ATOM 730 C THR A 75 12.917 0.794 4.260 1.00 0.17 C ATOM 731 O THR A 75 11.885 0.600 4.894 1.00 0.20 O ATOM 732 CB THR A 75 15.171 0.762 5.344 1.00 0.29 C ATOM 733 OG1 THR A 75 16.372 0.002 5.533 1.00 0.47 O ATOM 734 CG2 THR A 75 14.601 1.145 6.701 1.00 0.47 C ATOM 0 H THR A 75 15.714 -0.233 3.150 1.00 0.18 H new ATOM 0 HA THR A 75 13.854 -0.938 5.097 1.00 0.21 H new ATOM 0 HB THR A 75 15.392 1.673 4.789 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.015 0.530 6.051 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.340 1.723 7.256 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.701 1.744 6.562 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.353 0.242 7.259 1.00 0.47 H new ATOM 742 N HIS A 76 13.002 1.689 3.277 1.00 0.14 N ATOM 743 CA HIS A 76 11.938 2.668 3.053 1.00 0.12 C ATOM 744 C HIS A 76 10.705 1.990 2.478 1.00 0.10 C ATOM 745 O HIS A 76 9.569 2.326 2.825 1.00 0.10 O ATOM 746 CB HIS A 76 12.410 3.791 2.124 1.00 0.14 C ATOM 747 CG HIS A 76 13.426 4.694 2.748 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.439 5.301 2.039 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.568 5.106 4.027 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.162 6.039 2.856 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.656 5.941 4.070 1.00 0.19 N ATOM 0 H HIS A 76 13.787 1.757 2.629 1.00 0.14 H new ATOM 0 HA HIS A 76 11.679 3.110 4.015 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.833 3.351 1.221 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.548 4.384 1.817 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.941 4.829 4.862 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.025 6.626 2.578 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.014 6.408 4.903 1.00 0.19 H new ATOM 760 N VAL A 77 10.943 1.025 1.604 1.00 0.09 N ATOM 761 CA VAL A 77 9.886 0.225 1.044 1.00 0.07 C ATOM 762 C VAL A 77 9.194 -0.552 2.153 1.00 0.08 C ATOM 763 O VAL A 77 7.986 -0.467 2.309 1.00 0.08 O ATOM 764 CB VAL A 77 10.435 -0.745 -0.022 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.365 -1.726 -0.464 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.986 0.031 -1.217 1.00 0.08 C ATOM 0 H VAL A 77 11.875 0.781 1.269 1.00 0.09 H new ATOM 0 HA VAL A 77 9.167 0.886 0.560 1.00 0.07 H new ATOM 0 HB VAL A 77 11.250 -1.316 0.423 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.777 -2.399 -1.216 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.025 -2.305 0.395 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.523 -1.179 -0.889 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.369 -0.669 -1.960 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.190 0.630 -1.660 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.792 0.686 -0.885 1.00 0.08 H new ATOM 776 N ARG A 78 9.980 -1.272 2.948 1.00 0.09 N ATOM 777 CA ARG A 78 9.444 -2.061 4.053 1.00 0.11 C ATOM 778 C ARG A 78 8.700 -1.199 5.064 1.00 0.10 C ATOM 779 O ARG A 78 7.700 -1.632 5.633 1.00 0.14 O ATOM 780 CB ARG A 78 10.559 -2.816 4.756 1.00 0.18 C ATOM 781 CG ARG A 78 11.040 -4.038 3.988 1.00 0.37 C ATOM 782 CD ARG A 78 11.959 -4.902 4.837 1.00 0.40 C ATOM 783 NE ARG A 78 13.276 -4.296 5.030 1.00 1.11 N ATOM 784 CZ ARG A 78 13.754 -3.905 6.211 1.00 1.43 C ATOM 785 NH1 ARG A 78 12.997 -3.978 7.299 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.987 -3.425 6.305 1.00 2.21 N ATOM 0 H ARG A 78 10.994 -1.325 2.847 1.00 0.09 H new ATOM 0 HA ARG A 78 8.734 -2.768 3.624 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.400 -2.142 4.915 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.211 -3.129 5.741 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.182 -4.627 3.664 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.566 -3.720 3.088 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.496 -5.074 5.809 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.077 -5.876 4.363 1.00 0.40 H new ATOM 0 HE ARG A 78 13.866 -4.164 4.209 1.00 1.11 H new ATOM 0 HH11 ARG A 78 12.044 -4.335 7.234 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.369 -3.677 8.200 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.572 -3.354 5.472 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.350 -3.126 7.210 1.00 2.21 H new ATOM 800 N ASP A 79 9.195 0.013 5.277 1.00 0.11 N ATOM 801 CA ASP A 79 8.543 0.980 6.156 1.00 0.12 C ATOM 802 C ASP A 79 7.101 1.170 5.734 1.00 0.11 C ATOM 803 O ASP A 79 6.157 0.989 6.516 1.00 0.12 O ATOM 804 CB ASP A 79 9.259 2.329 6.076 1.00 0.16 C ATOM 805 CG ASP A 79 10.489 2.417 6.957 1.00 0.57 C ATOM 806 OD1 ASP A 79 10.467 1.868 8.081 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.495 3.021 6.522 1.00 0.95 O ATOM 0 H ASP A 79 10.055 0.354 4.849 1.00 0.11 H new ATOM 0 HA ASP A 79 8.584 0.602 7.177 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.549 2.516 5.042 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.562 3.118 6.359 1.00 0.16 H new ATOM 812 N TRP A 80 6.940 1.479 4.464 1.00 0.10 N ATOM 813 CA TRP A 80 5.644 1.757 3.891 1.00 0.09 C ATOM 814 C TRP A 80 4.862 0.461 3.725 1.00 0.09 C ATOM 815 O TRP A 80 3.632 0.432 3.834 1.00 0.09 O ATOM 816 CB TRP A 80 5.873 2.447 2.550 1.00 0.09 C ATOM 817 CG TRP A 80 4.792 2.249 1.552 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.685 3.014 1.369 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.740 1.213 0.574 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.947 2.514 0.327 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.578 1.407 -0.175 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.571 0.139 0.267 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.225 0.568 -1.221 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.218 -0.696 -0.768 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.056 -0.476 -1.504 1.00 0.10 C ATOM 0 H TRP A 80 7.710 1.544 3.799 1.00 0.10 H new ATOM 0 HA TRP A 80 5.057 2.407 4.541 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.995 3.516 2.724 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.809 2.084 2.126 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.425 3.883 1.955 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.070 2.904 -0.018 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.476 -0.035 0.831 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.324 0.735 -1.792 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.852 -1.535 -1.014 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.808 -1.145 -2.315 1.00 0.10 H new ATOM 836 N VAL A 81 5.613 -0.607 3.499 1.00 0.10 N ATOM 837 CA VAL A 81 5.067 -1.933 3.314 1.00 0.11 C ATOM 838 C VAL A 81 4.314 -2.365 4.567 1.00 0.11 C ATOM 839 O VAL A 81 3.118 -2.645 4.530 1.00 0.11 O ATOM 840 CB VAL A 81 6.217 -2.928 2.980 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.951 -4.330 3.497 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.471 -2.970 1.482 1.00 0.14 C ATOM 0 H VAL A 81 6.631 -0.571 3.439 1.00 0.10 H new ATOM 0 HA VAL A 81 4.363 -1.927 2.482 1.00 0.11 H new ATOM 0 HB VAL A 81 7.105 -2.557 3.492 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.786 -4.979 3.235 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.839 -4.303 4.581 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.036 -4.716 3.047 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.278 -3.671 1.269 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.565 -3.293 0.968 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.752 -1.976 1.133 1.00 0.14 H new ATOM 852 N MET A 82 5.012 -2.385 5.679 1.00 0.11 N ATOM 853 CA MET A 82 4.402 -2.777 6.928 1.00 0.12 C ATOM 854 C MET A 82 3.451 -1.716 7.471 1.00 0.11 C ATOM 855 O MET A 82 2.677 -2.010 8.368 1.00 0.12 O ATOM 856 CB MET A 82 5.444 -3.170 7.971 1.00 0.15 C ATOM 857 CG MET A 82 6.390 -2.057 8.370 1.00 0.13 C ATOM 858 SD MET A 82 7.594 -2.606 9.594 1.00 0.49 S ATOM 859 CE MET A 82 6.501 -3.294 10.836 1.00 0.42 C ATOM 0 H MET A 82 5.999 -2.135 5.744 1.00 0.11 H new ATOM 0 HA MET A 82 3.802 -3.661 6.710 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.929 -3.528 8.863 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.029 -4.004 7.584 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.912 -1.690 7.486 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.818 -1.221 8.773 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.007 -3.302 11.802 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.599 -2.686 10.904 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.232 -4.313 10.559 1.00 0.42 H new ATOM 869 N TRP A 83 3.503 -0.482 6.960 1.00 0.09 N ATOM 870 CA TRP A 83 2.596 0.550 7.461 1.00 0.09 C ATOM 871 C TRP A 83 1.152 0.270 7.051 1.00 0.09 C ATOM 872 O TRP A 83 0.279 0.141 7.905 1.00 0.11 O ATOM 873 CB TRP A 83 3.010 1.950 6.988 1.00 0.09 C ATOM 874 CG TRP A 83 2.051 3.012 7.428 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.041 3.670 8.622 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.956 3.534 6.672 1.00 0.11 C ATOM 877 NE1 TRP A 83 1.008 4.571 8.650 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.325 4.504 7.466 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.450 3.273 5.397 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.785 5.215 7.024 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.649 3.978 4.962 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.256 4.937 5.773 1.00 0.15 C ATOM 0 H TRP A 83 4.142 -0.181 6.224 1.00 0.09 H new ATOM 0 HA TRP A 83 2.662 0.523 8.549 1.00 0.09 H new ATOM 0 HB2 TRP A 83 4.004 2.181 7.373 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.080 1.956 5.900 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.743 3.506 9.426 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.784 5.191 9.428 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.913 2.531 4.763 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.257 5.960 7.647 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.048 3.786 3.977 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.118 5.472 5.403 1.00 0.15 H new ATOM 893 N ALA A 84 0.883 0.177 5.755 1.00 0.09 N ATOM 894 CA ALA A 84 -0.481 -0.095 5.313 1.00 0.10 C ATOM 895 C ALA A 84 -0.928 -1.420 5.908 1.00 0.10 C ATOM 896 O ALA A 84 -2.072 -1.591 6.341 1.00 0.12 O ATOM 897 CB ALA A 84 -0.573 -0.117 3.794 1.00 0.12 C ATOM 0 H ALA A 84 1.570 0.282 5.008 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.141 0.701 5.658 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.601 -0.322 3.495 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.265 0.850 3.397 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.081 -0.895 3.401 1.00 0.12 H new ATOM 903 N VAL A 85 0.026 -2.333 5.959 1.00 0.10 N ATOM 904 CA VAL A 85 -0.130 -3.604 6.625 1.00 0.11 C ATOM 905 C VAL A 85 -0.535 -3.438 8.095 1.00 0.13 C ATOM 906 O VAL A 85 -1.576 -3.937 8.497 1.00 0.14 O ATOM 907 CB VAL A 85 1.188 -4.409 6.494 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.405 -5.365 7.656 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.209 -5.163 5.178 1.00 0.14 C ATOM 0 H VAL A 85 0.943 -2.205 5.531 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.940 -4.152 6.144 1.00 0.11 H new ATOM 0 HB VAL A 85 2.008 -3.692 6.516 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.342 -5.903 7.514 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.448 -4.801 8.588 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.581 -6.077 7.700 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.139 -5.725 5.096 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.364 -5.851 5.139 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.139 -4.455 4.352 1.00 0.14 H new ATOM 919 N ASN A 86 0.254 -2.722 8.894 1.00 0.15 N ATOM 920 CA ASN A 86 0.006 -2.666 10.333 1.00 0.19 C ATOM 921 C ASN A 86 -1.293 -1.941 10.664 1.00 0.23 C ATOM 922 O ASN A 86 -1.865 -2.123 11.735 1.00 0.27 O ATOM 923 CB ASN A 86 1.195 -2.087 11.124 1.00 0.23 C ATOM 924 CG ASN A 86 1.512 -0.606 10.902 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.537 0.174 10.484 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 2.650 -0.175 11.096 1.00 0.32 N flip ATOM 0 H ASN A 86 1.058 -2.181 8.576 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.107 -3.701 10.657 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.003 -2.238 12.186 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.084 -2.666 10.875 1.00 0.23 H new ATOM 0 HD21 ASN A 86 3.385 -0.804 11.420 1.00 0.32 H new ATOM 0 HD22 ASN A 86 2.857 0.810 10.933 1.00 0.32 H new ATOM 933 N GLU A 87 -1.749 -1.123 9.731 1.00 0.24 N ATOM 934 CA GLU A 87 -2.962 -0.331 9.922 1.00 0.31 C ATOM 935 C GLU A 87 -4.151 -1.250 9.764 1.00 0.28 C ATOM 936 O GLU A 87 -5.139 -1.181 10.492 1.00 0.35 O ATOM 937 CB GLU A 87 -3.019 0.815 8.903 1.00 0.38 C ATOM 938 CG GLU A 87 -4.256 1.694 9.022 1.00 1.23 C ATOM 939 CD GLU A 87 -4.398 2.324 10.392 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.668 3.294 10.686 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.240 1.854 11.182 1.00 2.15 O ATOM 0 H GLU A 87 -1.297 -0.986 8.827 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.969 0.115 10.916 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.132 1.437 9.023 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.981 0.395 7.898 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.211 2.480 8.268 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.142 1.097 8.808 1.00 1.23 H new ATOM 948 N PHE A 88 -4.005 -2.145 8.813 1.00 0.23 N ATOM 949 CA PHE A 88 -4.988 -3.168 8.548 1.00 0.23 C ATOM 950 C PHE A 88 -4.784 -4.374 9.454 1.00 0.25 C ATOM 951 O PHE A 88 -5.525 -5.353 9.379 1.00 0.30 O ATOM 952 CB PHE A 88 -4.857 -3.589 7.101 1.00 0.24 C ATOM 953 CG PHE A 88 -5.708 -2.782 6.173 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.033 -3.107 5.966 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.172 -1.694 5.501 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.809 -2.367 5.103 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.947 -0.948 4.637 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.301 -1.288 4.468 1.00 0.45 C ATOM 0 H PHE A 88 -3.193 -2.183 8.197 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.983 -2.769 8.744 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.814 -3.501 6.797 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.128 -4.641 7.009 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.465 -3.949 6.486 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.137 -1.428 5.656 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.836 -2.652 4.931 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.520 -0.115 4.098 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.934 -0.687 3.832 1.00 0.45 H new ATOM 968 N SER A 89 -3.773 -4.279 10.316 1.00 0.27 N ATOM 969 CA SER A 89 -3.351 -5.388 11.160 1.00 0.34 C ATOM 970 C SER A 89 -2.985 -6.599 10.301 1.00 0.36 C ATOM 971 O SER A 89 -3.401 -7.724 10.573 1.00 0.48 O ATOM 972 CB SER A 89 -4.444 -5.740 12.176 1.00 0.45 C ATOM 973 OG SER A 89 -4.776 -4.612 12.973 1.00 1.07 O ATOM 0 H SER A 89 -3.225 -3.429 10.447 1.00 0.27 H new ATOM 0 HA SER A 89 -2.464 -5.086 11.716 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.332 -6.095 11.653 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.104 -6.555 12.815 1.00 0.45 H new ATOM 0 HG SER A 89 -5.476 -4.858 13.613 1.00 1.07 H new ATOM 979 N LEU A 90 -2.195 -6.356 9.260 1.00 0.31 N ATOM 980 CA LEU A 90 -1.785 -7.405 8.336 1.00 0.40 C ATOM 981 C LEU A 90 -0.400 -7.892 8.679 1.00 0.59 C ATOM 982 O LEU A 90 0.298 -8.393 7.800 1.00 1.23 O ATOM 983 CB LEU A 90 -1.726 -6.887 6.901 1.00 0.33 C ATOM 984 CG LEU A 90 -2.845 -5.955 6.485 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.555 -5.408 5.104 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.178 -6.689 6.502 1.00 0.27 C ATOM 0 H LEU A 90 -1.824 -5.433 9.035 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.520 -8.206 8.421 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.777 -6.369 6.762 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.723 -7.743 6.226 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.906 -5.126 7.190 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.359 -4.737 4.802 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.612 -4.861 5.120 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.484 -6.232 4.394 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.973 -6.007 6.201 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.139 -7.530 5.809 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.378 -7.057 7.508 1.00 0.27 H new ATOM 998 N LYS A 91 0.030 -7.654 9.916 1.00 0.24 N ATOM 999 CA LYS A 91 1.344 -8.113 10.381 1.00 0.39 C ATOM 1000 C LYS A 91 1.518 -9.635 10.301 1.00 0.26 C ATOM 1001 O LYS A 91 1.656 -10.321 11.314 1.00 0.39 O ATOM 1002 CB LYS A 91 1.621 -7.637 11.805 1.00 0.78 C ATOM 1003 CG LYS A 91 1.877 -6.144 11.913 1.00 1.31 C ATOM 1004 CD LYS A 91 2.383 -5.768 13.295 1.00 1.49 C ATOM 1005 CE LYS A 91 2.724 -4.290 13.382 1.00 1.91 C ATOM 1006 NZ LYS A 91 3.425 -3.955 14.646 1.00 2.48 N ATOM 0 H LYS A 91 -0.510 -7.146 10.617 1.00 0.24 H new ATOM 0 HA LYS A 91 2.070 -7.669 9.700 1.00 0.39 H new ATOM 0 HB2 LYS A 91 0.772 -7.897 12.437 1.00 0.78 H new ATOM 0 HB3 LYS A 91 2.485 -8.174 12.196 1.00 0.78 H new ATOM 0 HG2 LYS A 91 2.607 -5.843 11.162 1.00 1.31 H new ATOM 0 HG3 LYS A 91 0.957 -5.599 11.700 1.00 1.31 H new ATOM 0 HD2 LYS A 91 1.625 -6.012 14.039 1.00 1.49 H new ATOM 0 HD3 LYS A 91 3.266 -6.361 13.534 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.351 -4.012 12.535 1.00 1.91 H new ATOM 0 HE3 LYS A 91 1.809 -3.702 13.308 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 3.639 -2.937 14.665 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 2.817 -4.196 15.455 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 4.311 -4.496 14.706 1.00 2.48 H new ATOM 1020 N GLY A 92 1.486 -10.143 9.084 1.00 0.26 N ATOM 1021 CA GLY A 92 1.913 -11.477 8.773 1.00 0.31 C ATOM 1022 C GLY A 92 2.573 -11.443 7.414 1.00 0.31 C ATOM 1023 O GLY A 92 2.570 -12.422 6.667 1.00 0.47 O ATOM 0 H GLY A 92 1.154 -9.622 8.273 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.610 -11.841 9.528 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.063 -12.159 8.768 1.00 0.31 H new ATOM 1027 N VAL A 93 3.120 -10.267 7.100 1.00 0.21 N ATOM 1028 CA VAL A 93 3.800 -10.019 5.848 1.00 0.21 C ATOM 1029 C VAL A 93 5.181 -10.638 5.893 1.00 0.20 C ATOM 1030 O VAL A 93 5.868 -10.556 6.913 1.00 0.22 O ATOM 1031 CB VAL A 93 3.885 -8.493 5.573 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.311 -8.010 5.356 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.047 -8.144 4.368 1.00 0.23 C ATOM 0 H VAL A 93 3.098 -9.458 7.721 1.00 0.21 H new ATOM 0 HA VAL A 93 3.237 -10.475 5.034 1.00 0.21 H new ATOM 0 HB VAL A 93 3.505 -7.989 6.461 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.307 -6.936 5.168 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.906 -8.221 6.245 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.744 -8.526 4.499 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.110 -7.072 4.179 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.416 -8.688 3.498 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.009 -8.419 4.555 1.00 0.23 H new ATOM 1043 N ASP A 94 5.584 -11.280 4.813 1.00 0.21 N ATOM 1044 CA ASP A 94 6.910 -11.846 4.767 1.00 0.24 C ATOM 1045 C ASP A 94 7.855 -10.765 4.303 1.00 0.21 C ATOM 1046 O ASP A 94 7.889 -10.423 3.121 1.00 0.20 O ATOM 1047 CB ASP A 94 6.975 -13.060 3.842 1.00 0.32 C ATOM 1048 CG ASP A 94 8.247 -13.856 4.056 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.291 -13.492 3.481 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.213 -14.836 4.832 1.00 1.10 O ATOM 0 H ASP A 94 5.022 -11.419 3.973 1.00 0.21 H new ATOM 0 HA ASP A 94 7.192 -12.200 5.759 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.110 -13.700 4.019 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.921 -12.731 2.804 1.00 0.32 H new ATOM 1055 N PHE A 95 8.606 -10.209 5.239 1.00 0.23 N ATOM 1056 CA PHE A 95 9.417 -9.038 4.959 1.00 0.24 C ATOM 1057 C PHE A 95 10.526 -9.394 3.991 1.00 0.23 C ATOM 1058 O PHE A 95 11.083 -8.534 3.313 1.00 0.28 O ATOM 1059 CB PHE A 95 10.014 -8.462 6.245 1.00 0.29 C ATOM 1060 CG PHE A 95 8.999 -7.838 7.160 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.258 -8.623 8.026 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.784 -6.470 7.155 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.322 -8.058 8.868 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.849 -5.897 7.995 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.127 -6.676 8.854 1.00 0.61 C ATOM 0 H PHE A 95 8.670 -10.550 6.198 1.00 0.23 H new ATOM 0 HA PHE A 95 8.775 -8.280 4.510 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.532 -9.257 6.781 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.762 -7.714 5.983 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.414 -9.691 8.043 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.355 -5.843 6.486 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.744 -8.681 9.534 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.688 -4.829 7.973 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.407 -6.224 9.520 1.00 0.61 H new ATOM 1075 N GLN A 96 10.831 -10.677 3.938 1.00 0.21 N ATOM 1076 CA GLN A 96 11.849 -11.188 3.043 1.00 0.24 C ATOM 1077 C GLN A 96 11.321 -11.218 1.619 1.00 0.21 C ATOM 1078 O GLN A 96 12.071 -11.028 0.660 1.00 0.25 O ATOM 1079 CB GLN A 96 12.275 -12.588 3.463 1.00 0.33 C ATOM 1080 CG GLN A 96 13.505 -13.086 2.736 1.00 1.06 C ATOM 1081 CD GLN A 96 14.706 -12.196 2.973 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.847 -11.167 2.154 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 15.490 -12.420 3.897 1.00 1.93 N flip ATOM 0 H GLN A 96 10.382 -11.391 4.512 1.00 0.21 H new ATOM 0 HA GLN A 96 12.715 -10.528 3.092 1.00 0.24 H new ATOM 0 HB2 GLN A 96 12.469 -12.594 4.536 1.00 0.33 H new ATOM 0 HB3 GLN A 96 11.452 -13.279 3.284 1.00 0.33 H new ATOM 0 HG2 GLN A 96 13.735 -14.099 3.065 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.298 -13.137 1.667 1.00 1.06 H new ATOM 0 HE21 GLN A 96 15.344 -13.225 4.506 1.00 1.93 H new ATOM 0 HE22 GLN A 96 16.285 -11.800 4.053 1.00 1.93 H new ATOM 1092 N LYS A 97 10.022 -11.452 1.486 1.00 0.18 N ATOM 1093 CA LYS A 97 9.388 -11.448 0.185 1.00 0.19 C ATOM 1094 C LYS A 97 9.211 -10.003 -0.240 1.00 0.17 C ATOM 1095 O LYS A 97 9.204 -9.676 -1.424 1.00 0.20 O ATOM 1096 CB LYS A 97 8.030 -12.164 0.240 1.00 0.23 C ATOM 1097 CG LYS A 97 7.722 -13.006 -0.991 1.00 0.26 C ATOM 1098 CD LYS A 97 7.652 -12.163 -2.253 1.00 0.25 C ATOM 1099 CE LYS A 97 7.483 -13.029 -3.488 1.00 0.38 C ATOM 1100 NZ LYS A 97 7.599 -12.240 -4.741 1.00 1.43 N ATOM 0 H LYS A 97 9.392 -11.646 2.265 1.00 0.18 H new ATOM 0 HA LYS A 97 10.008 -11.981 -0.536 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.004 -12.805 1.121 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.243 -11.420 0.364 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.489 -13.771 -1.108 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.774 -13.524 -0.848 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.819 -11.464 -2.180 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.560 -11.568 -2.346 1.00 0.25 H new ATOM 0 HE2 LYS A 97 8.237 -13.817 -3.484 1.00 0.38 H new ATOM 0 HE3 LYS A 97 6.510 -13.519 -3.457 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 6.735 -12.359 -5.307 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 7.724 -11.234 -4.508 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.419 -12.573 -5.287 1.00 1.43 H new ATOM 1114 N PHE A 98 9.129 -9.142 0.761 1.00 0.16 N ATOM 1115 CA PHE A 98 8.960 -7.718 0.556 1.00 0.16 C ATOM 1116 C PHE A 98 10.308 -7.019 0.459 1.00 0.20 C ATOM 1117 O PHE A 98 10.418 -5.818 0.713 1.00 0.22 O ATOM 1118 CB PHE A 98 8.152 -7.119 1.697 1.00 0.15 C ATOM 1119 CG PHE A 98 6.683 -7.156 1.447 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.045 -6.137 0.764 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.935 -8.216 1.917 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.688 -6.185 0.553 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.580 -8.272 1.701 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.966 -7.192 0.946 1.00 0.12 C ATOM 0 H PHE A 98 9.178 -9.415 1.742 1.00 0.16 H new ATOM 0 HA PHE A 98 8.426 -7.571 -0.383 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.373 -7.661 2.616 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.463 -6.086 1.853 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.617 -5.299 0.394 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.421 -9.012 2.462 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.207 -5.362 0.046 1.00 0.11 H new ATOM 0 HE2 PHE A 98 3.989 -9.093 2.080 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.912 -7.226 0.712 1.00 0.12 H new ATOM 1134 N CYS A 99 11.329 -7.778 0.101 1.00 0.26 N ATOM 1135 CA CYS A 99 12.664 -7.237 -0.048 1.00 0.31 C ATOM 1136 C CYS A 99 12.776 -6.458 -1.350 1.00 0.23 C ATOM 1137 O CYS A 99 13.263 -6.975 -2.358 1.00 0.27 O ATOM 1138 CB CYS A 99 13.695 -8.362 -0.043 1.00 0.45 C ATOM 1139 SG CYS A 99 15.016 -8.149 1.171 1.00 1.20 S ATOM 0 H CYS A 99 11.255 -8.777 -0.092 1.00 0.26 H new ATOM 0 HA CYS A 99 12.857 -6.567 0.790 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.186 -9.306 0.152 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.138 -8.438 -1.036 1.00 0.45 H new ATOM 0 HG CYS A 99 15.870 -7.271 0.734 1.00 1.20 H new ATOM 1145 N MET A 100 12.305 -5.226 -1.336 1.00 0.19 N ATOM 1146 CA MET A 100 12.448 -4.356 -2.482 1.00 0.16 C ATOM 1147 C MET A 100 13.181 -3.098 -2.110 1.00 0.17 C ATOM 1148 O MET A 100 12.920 -2.490 -1.075 1.00 0.20 O ATOM 1149 CB MET A 100 11.096 -3.946 -3.086 1.00 0.22 C ATOM 1150 CG MET A 100 10.422 -5.010 -3.926 1.00 0.22 C ATOM 1151 SD MET A 100 9.537 -6.215 -2.925 1.00 0.13 S ATOM 1152 CE MET A 100 8.365 -5.155 -2.079 1.00 0.18 C ATOM 0 H MET A 100 11.820 -4.807 -0.542 1.00 0.19 H new ATOM 0 HA MET A 100 13.008 -4.929 -3.220 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.424 -3.664 -2.276 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.244 -3.058 -3.701 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.726 -4.536 -4.618 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.172 -5.523 -4.528 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.629 -5.090 -1.024 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.390 -4.159 -2.521 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.362 -5.571 -2.177 1.00 0.18 H new ATOM 1162 N SER A 101 14.115 -2.734 -2.948 1.00 0.16 N ATOM 1163 CA SER A 101 14.553 -1.372 -3.018 1.00 0.18 C ATOM 1164 C SER A 101 13.490 -0.652 -3.825 1.00 0.14 C ATOM 1165 O SER A 101 12.780 -1.303 -4.575 1.00 0.15 O ATOM 1166 CB SER A 101 15.926 -1.293 -3.679 1.00 0.24 C ATOM 1167 OG SER A 101 16.056 -2.299 -4.671 1.00 1.26 O ATOM 0 H SER A 101 14.587 -3.368 -3.593 1.00 0.16 H new ATOM 0 HA SER A 101 14.668 -0.917 -2.034 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.064 -0.310 -4.129 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.706 -1.412 -2.927 1.00 0.24 H new ATOM 0 HG SER A 101 16.941 -2.235 -5.088 1.00 1.26 H new ATOM 1173 N GLY A 102 13.331 0.635 -3.657 1.00 0.13 N ATOM 1174 CA GLY A 102 12.224 1.326 -4.277 1.00 0.14 C ATOM 1175 C GLY A 102 12.095 1.087 -5.772 1.00 0.14 C ATOM 1176 O GLY A 102 10.980 0.939 -6.279 1.00 0.16 O ATOM 0 H GLY A 102 13.949 1.226 -3.100 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.299 1.016 -3.790 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.334 2.396 -4.100 1.00 0.14 H new ATOM 1180 N ALA A 103 13.217 1.056 -6.487 1.00 0.17 N ATOM 1181 CA ALA A 103 13.191 0.763 -7.916 1.00 0.21 C ATOM 1182 C ALA A 103 12.619 -0.626 -8.147 1.00 0.21 C ATOM 1183 O ALA A 103 11.854 -0.852 -9.081 1.00 0.25 O ATOM 1184 CB ALA A 103 14.584 0.873 -8.517 1.00 0.26 C ATOM 0 H ALA A 103 14.147 1.228 -6.104 1.00 0.17 H new ATOM 0 HA ALA A 103 12.554 1.496 -8.411 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.539 0.650 -9.583 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.963 1.885 -8.373 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.249 0.163 -8.026 1.00 0.26 H new ATOM 1190 N ALA A 104 12.979 -1.541 -7.258 1.00 0.19 N ATOM 1191 CA ALA A 104 12.451 -2.892 -7.287 1.00 0.20 C ATOM 1192 C ALA A 104 10.980 -2.883 -6.896 1.00 0.16 C ATOM 1193 O ALA A 104 10.167 -3.580 -7.506 1.00 0.17 O ATOM 1194 CB ALA A 104 13.242 -3.797 -6.355 1.00 0.22 C ATOM 0 H ALA A 104 13.641 -1.367 -6.502 1.00 0.19 H new ATOM 0 HA ALA A 104 12.545 -3.282 -8.301 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.830 -4.806 -6.391 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.286 -3.820 -6.669 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.178 -3.415 -5.336 1.00 0.22 H new ATOM 1200 N LEU A 105 10.646 -2.104 -5.856 1.00 0.12 N ATOM 1201 CA LEU A 105 9.267 -1.900 -5.438 1.00 0.09 C ATOM 1202 C LEU A 105 8.374 -1.546 -6.607 1.00 0.12 C ATOM 1203 O LEU A 105 7.259 -2.004 -6.720 1.00 0.13 O ATOM 1204 CB LEU A 105 9.169 -0.764 -4.416 1.00 0.09 C ATOM 1205 CG LEU A 105 7.746 -0.529 -3.949 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.254 -1.720 -3.154 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.625 0.736 -3.145 1.00 0.14 C ATOM 0 H LEU A 105 11.329 -1.603 -5.288 1.00 0.12 H new ATOM 0 HA LEU A 105 8.937 -2.840 -4.996 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.797 -0.997 -3.556 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.560 0.153 -4.857 1.00 0.09 H new ATOM 0 HG LEU A 105 7.119 -0.411 -4.833 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.231 -1.540 -2.824 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.281 -2.612 -3.780 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.895 -1.867 -2.285 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.590 0.869 -2.829 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.267 0.672 -2.267 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.930 1.586 -3.756 1.00 0.14 H new ATOM 1219 N CYS A 106 8.849 -0.638 -7.395 1.00 0.21 N ATOM 1220 CA CYS A 106 8.172 -0.238 -8.604 1.00 0.31 C ATOM 1221 C CYS A 106 8.190 -1.342 -9.664 1.00 0.34 C ATOM 1222 O CYS A 106 7.140 -1.729 -10.180 1.00 0.40 O ATOM 1223 CB CYS A 106 8.835 1.023 -9.125 1.00 0.39 C ATOM 1224 SG CYS A 106 8.097 1.712 -10.625 1.00 0.74 S ATOM 0 H CYS A 106 9.725 -0.143 -7.224 1.00 0.21 H new ATOM 0 HA CYS A 106 7.123 -0.047 -8.378 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.805 1.781 -8.342 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.886 0.809 -9.321 1.00 0.39 H new ATOM 0 HG CYS A 106 7.381 0.801 -11.214 1.00 0.74 H new ATOM 1230 N ALA A 107 9.384 -1.843 -9.978 1.00 0.33 N ATOM 1231 CA ALA A 107 9.583 -2.813 -11.057 1.00 0.41 C ATOM 1232 C ALA A 107 8.687 -4.051 -10.962 1.00 0.38 C ATOM 1233 O ALA A 107 8.386 -4.666 -11.988 1.00 0.46 O ATOM 1234 CB ALA A 107 11.042 -3.239 -11.098 1.00 0.47 C ATOM 0 H ALA A 107 10.243 -1.588 -9.491 1.00 0.33 H new ATOM 0 HA ALA A 107 9.298 -2.304 -11.978 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.188 -3.961 -11.902 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.671 -2.367 -11.275 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.315 -3.695 -10.146 1.00 0.47 H new ATOM 1240 N LEU A 108 8.279 -4.441 -9.756 1.00 0.29 N ATOM 1241 CA LEU A 108 7.460 -5.642 -9.601 1.00 0.26 C ATOM 1242 C LEU A 108 6.148 -5.551 -10.386 1.00 0.26 C ATOM 1243 O LEU A 108 5.726 -6.521 -11.015 1.00 0.28 O ATOM 1244 CB LEU A 108 7.196 -5.978 -8.112 1.00 0.21 C ATOM 1245 CG LEU A 108 6.938 -4.802 -7.157 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.593 -4.117 -7.418 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.025 -5.289 -5.720 1.00 0.19 C ATOM 0 H LEU A 108 8.497 -3.954 -8.887 1.00 0.29 H new ATOM 0 HA LEU A 108 8.038 -6.464 -10.025 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.336 -6.645 -8.065 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.053 -6.536 -7.735 1.00 0.21 H new ATOM 0 HG LEU A 108 7.706 -4.050 -7.338 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.462 -3.294 -6.716 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.573 -3.731 -8.437 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.786 -4.838 -7.287 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.842 -4.456 -5.042 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.277 -6.064 -5.553 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.018 -5.697 -5.534 1.00 0.19 H new ATOM 1259 N GLY A 109 5.521 -4.384 -10.382 1.00 0.27 N ATOM 1260 CA GLY A 109 4.212 -4.253 -10.984 1.00 0.32 C ATOM 1261 C GLY A 109 3.145 -4.900 -10.121 1.00 0.27 C ATOM 1262 O GLY A 109 3.464 -5.656 -9.199 1.00 0.23 O ATOM 0 H GLY A 109 5.895 -3.527 -9.973 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.978 -3.198 -11.126 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.215 -4.715 -11.971 1.00 0.32 H new ATOM 1266 N LYS A 110 1.885 -4.590 -10.403 1.00 0.33 N ATOM 1267 CA LYS A 110 0.770 -5.145 -9.641 1.00 0.36 C ATOM 1268 C LYS A 110 0.908 -6.647 -9.458 1.00 0.26 C ATOM 1269 O LYS A 110 0.897 -7.137 -8.331 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.565 -4.855 -10.313 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.742 -5.058 -9.372 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.721 -6.101 -9.880 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.172 -7.531 -9.796 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.086 -8.519 -10.435 1.00 0.67 N ATOM 0 H LYS A 110 1.609 -3.957 -11.154 1.00 0.33 H new ATOM 0 HA LYS A 110 0.796 -4.661 -8.665 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.569 -3.829 -10.680 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.681 -5.504 -11.181 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.372 -5.359 -8.392 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.263 -4.110 -9.238 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -3.643 -6.037 -9.302 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -2.977 -5.877 -10.915 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.196 -7.574 -10.280 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.021 -7.800 -8.751 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.584 -9.059 -9.698 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.780 -8.018 -11.026 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.533 -9.171 -11.028 1.00 0.67 H new ATOM 1288 N GLU A 111 1.024 -7.366 -10.572 1.00 0.25 N ATOM 1289 CA GLU A 111 1.040 -8.828 -10.559 1.00 0.31 C ATOM 1290 C GLU A 111 2.001 -9.371 -9.513 1.00 0.27 C ATOM 1291 O GLU A 111 1.591 -10.066 -8.584 1.00 0.39 O ATOM 1292 CB GLU A 111 1.426 -9.372 -11.936 1.00 0.48 C ATOM 1293 CG GLU A 111 0.639 -8.755 -13.077 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.839 -8.642 -12.773 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -1.454 -9.674 -12.441 1.00 2.46 O ATOM 1296 OE2 GLU A 111 -1.399 -7.535 -12.893 1.00 2.54 O ATOM 0 H GLU A 111 1.109 -6.957 -11.502 1.00 0.25 H new ATOM 0 HA GLU A 111 0.033 -9.159 -10.304 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.489 -9.195 -12.102 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.277 -10.452 -11.945 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.038 -7.764 -13.294 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.776 -9.357 -13.975 1.00 1.39 H new ATOM 1303 N CYS A 112 3.266 -9.014 -9.657 1.00 0.21 N ATOM 1304 CA CYS A 112 4.300 -9.492 -8.761 1.00 0.18 C ATOM 1305 C CYS A 112 3.999 -9.096 -7.324 1.00 0.15 C ATOM 1306 O CYS A 112 4.039 -9.941 -6.443 1.00 0.17 O ATOM 1307 CB CYS A 112 5.669 -8.965 -9.184 1.00 0.21 C ATOM 1308 SG CYS A 112 6.143 -9.409 -10.871 1.00 1.36 S ATOM 0 H CYS A 112 3.601 -8.391 -10.392 1.00 0.21 H new ATOM 0 HA CYS A 112 4.317 -10.580 -8.819 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.673 -7.879 -9.091 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.422 -9.346 -8.494 1.00 0.21 H new ATOM 0 HG CYS A 112 6.132 -8.346 -11.619 1.00 1.36 H new ATOM 1314 N PHE A 113 3.686 -7.819 -7.093 1.00 0.13 N ATOM 1315 CA PHE A 113 3.403 -7.329 -5.745 1.00 0.12 C ATOM 1316 C PHE A 113 2.268 -8.109 -5.066 1.00 0.13 C ATOM 1317 O PHE A 113 2.382 -8.515 -3.910 1.00 0.14 O ATOM 1318 CB PHE A 113 3.056 -5.832 -5.766 1.00 0.12 C ATOM 1319 CG PHE A 113 3.287 -5.175 -4.438 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.474 -5.483 -3.364 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.345 -4.293 -4.244 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.697 -4.931 -2.129 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.576 -3.748 -3.003 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.751 -4.066 -1.945 1.00 0.10 C ATOM 0 H PHE A 113 3.623 -7.108 -7.821 1.00 0.13 H new ATOM 0 HA PHE A 113 4.312 -7.483 -5.163 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.658 -5.333 -6.525 1.00 0.12 H new ATOM 0 HB3 PHE A 113 2.012 -5.707 -6.054 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.651 -6.169 -3.499 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.988 -4.035 -5.072 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.046 -5.175 -1.302 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.404 -3.070 -2.857 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.932 -3.636 -0.971 1.00 0.10 H new ATOM 1334 N LEU A 114 1.168 -8.319 -5.755 1.00 0.14 N ATOM 1335 CA LEU A 114 0.017 -8.927 -5.099 1.00 0.17 C ATOM 1336 C LEU A 114 0.233 -10.417 -4.949 1.00 0.22 C ATOM 1337 O LEU A 114 -0.377 -11.062 -4.102 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.288 -8.640 -5.832 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.423 -7.238 -6.426 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.882 -6.878 -6.594 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.731 -6.187 -5.586 1.00 0.50 C ATOM 0 H LEU A 114 1.040 -8.088 -6.740 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.073 -8.476 -4.111 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.398 -9.367 -6.637 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.115 -8.802 -5.140 1.00 0.19 H new ATOM 0 HG LEU A 114 -0.933 -7.256 -7.399 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -2.963 -5.877 -7.018 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.359 -7.595 -7.262 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.377 -6.902 -5.623 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -0.856 -5.209 -6.051 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.169 -6.173 -4.588 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.331 -6.421 -5.513 1.00 0.50 H new ATOM 1353 N GLU A 115 1.102 -10.959 -5.788 1.00 0.22 N ATOM 1354 CA GLU A 115 1.575 -12.317 -5.617 1.00 0.28 C ATOM 1355 C GLU A 115 2.600 -12.366 -4.489 1.00 0.27 C ATOM 1356 O GLU A 115 2.852 -13.409 -3.881 1.00 0.37 O ATOM 1357 CB GLU A 115 2.227 -12.818 -6.901 1.00 0.37 C ATOM 1358 CG GLU A 115 1.248 -13.040 -8.039 1.00 0.48 C ATOM 1359 CD GLU A 115 0.276 -14.155 -7.742 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.728 -15.311 -7.587 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.938 -13.884 -7.654 1.00 2.21 O ATOM 0 H GLU A 115 1.493 -10.474 -6.596 1.00 0.22 H new ATOM 0 HA GLU A 115 0.723 -12.953 -5.374 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.982 -12.099 -7.219 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.746 -13.754 -6.693 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.696 -12.119 -8.227 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.799 -13.273 -8.950 1.00 0.48 H new ATOM 1368 N LEU A 116 3.170 -11.203 -4.223 1.00 0.20 N ATOM 1369 CA LEU A 116 4.280 -11.038 -3.299 1.00 0.19 C ATOM 1370 C LEU A 116 3.789 -10.962 -1.852 1.00 0.22 C ATOM 1371 O LEU A 116 4.536 -11.241 -0.912 1.00 0.26 O ATOM 1372 CB LEU A 116 5.063 -9.788 -3.738 1.00 0.15 C ATOM 1373 CG LEU A 116 5.677 -8.917 -2.651 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.983 -8.323 -3.140 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.727 -7.805 -2.270 1.00 0.16 C ATOM 0 H LEU A 116 2.868 -10.328 -4.652 1.00 0.20 H new ATOM 0 HA LEU A 116 4.944 -11.902 -3.328 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.865 -10.111 -4.401 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.393 -9.164 -4.329 1.00 0.15 H new ATOM 0 HG LEU A 116 5.867 -9.537 -1.775 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.416 -7.701 -2.356 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.676 -9.126 -3.391 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.797 -7.714 -4.025 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.180 -7.190 -1.492 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.519 -7.188 -3.144 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.796 -8.233 -1.899 1.00 0.16 H new ATOM 1387 N ALA A 117 2.532 -10.596 -1.690 1.00 0.21 N ATOM 1388 CA ALA A 117 1.873 -10.641 -0.389 1.00 0.22 C ATOM 1389 C ALA A 117 0.578 -11.429 -0.522 1.00 0.23 C ATOM 1390 O ALA A 117 0.323 -11.998 -1.581 1.00 0.26 O ATOM 1391 CB ALA A 117 1.598 -9.229 0.123 1.00 0.22 C ATOM 0 H ALA A 117 1.938 -10.260 -2.448 1.00 0.21 H new ATOM 0 HA ALA A 117 2.524 -11.133 0.334 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.106 -9.283 1.094 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.539 -8.688 0.223 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.952 -8.706 -0.582 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.230 -11.552 0.545 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.618 -11.976 0.396 1.00 0.25 C ATOM 1399 C PRO A 118 -2.316 -11.106 -0.641 1.00 0.22 C ATOM 1400 O PRO A 118 -2.089 -9.898 -0.693 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.212 -11.741 1.781 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.058 -11.868 2.712 1.00 0.32 C ATOM 1403 CD PRO A 118 0.142 -11.357 1.962 1.00 0.29 C ATOM 0 HA PRO A 118 -1.723 -13.008 0.061 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.672 -10.756 1.853 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.987 -12.472 2.009 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.225 -11.290 3.621 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.915 -12.905 3.016 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.338 -10.308 2.185 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.044 -11.912 2.221 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.144 -11.719 -1.472 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.766 -11.027 -2.607 1.00 0.32 C ATOM 1413 C ASP A 119 -4.585 -9.798 -2.195 1.00 0.31 C ATOM 1414 O ASP A 119 -4.903 -8.964 -3.045 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.639 -11.987 -3.426 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.883 -12.446 -2.691 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.930 -11.771 -2.795 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -5.819 -13.477 -1.990 1.00 0.95 O ATOM 0 H ASP A 119 -3.407 -12.701 -1.387 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.942 -10.668 -3.224 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.934 -11.496 -4.353 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.046 -12.859 -3.702 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.923 -9.667 -0.912 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.614 -8.478 -0.434 1.00 0.32 C ATOM 1425 C PHE A 120 -4.586 -7.448 -0.018 1.00 0.22 C ATOM 1426 O PHE A 120 -4.686 -6.269 -0.336 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.532 -8.807 0.748 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.361 -7.645 1.224 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.737 -6.631 0.354 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.764 -7.570 2.548 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.496 -5.567 0.798 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.525 -6.507 2.996 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.891 -5.505 2.120 1.00 1.86 C ATOM 0 H PHE A 120 -4.730 -10.365 -0.194 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.236 -8.085 -1.238 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.198 -9.621 0.462 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.924 -9.169 1.577 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.433 -6.675 -0.681 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.480 -8.351 3.237 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.781 -4.783 0.112 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.833 -6.460 4.030 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.486 -4.673 2.468 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.579 -7.937 0.672 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.556 -7.109 1.263 1.00 0.17 C ATOM 1445 C VAL A 121 -1.629 -6.556 0.208 1.00 0.15 C ATOM 1446 O VAL A 121 -1.211 -5.403 0.284 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.767 -7.932 2.274 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.656 -7.108 2.903 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.733 -8.465 3.310 1.00 0.22 C ATOM 0 H VAL A 121 -3.448 -8.935 0.839 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.032 -6.267 1.765 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.280 -8.770 1.775 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.110 -7.721 3.620 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.026 -6.764 2.126 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.087 -6.247 3.415 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.188 -9.058 4.045 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.226 -7.632 3.810 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.481 -9.090 2.822 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.305 -7.387 -0.771 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.557 -6.920 -1.902 1.00 0.19 C ATOM 1461 C GLY A 122 -1.264 -5.772 -2.566 1.00 0.16 C ATOM 1462 O GLY A 122 -0.648 -4.770 -2.862 1.00 0.14 O ATOM 0 H GLY A 122 -1.551 -8.377 -0.795 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.437 -6.607 -1.583 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.421 -7.733 -2.616 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.575 -5.909 -2.762 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.373 -4.885 -3.432 1.00 0.19 C ATOM 1468 C ASP A 123 -3.520 -3.671 -2.526 1.00 0.13 C ATOM 1469 O ASP A 123 -3.489 -2.538 -2.985 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.752 -5.447 -3.791 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.544 -4.537 -4.713 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.318 -4.588 -5.941 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.419 -3.793 -4.222 1.00 1.07 O ATOM 0 H ASP A 123 -3.109 -6.725 -2.464 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.868 -4.583 -4.350 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.629 -6.419 -4.268 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.321 -5.611 -2.876 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.702 -3.933 -1.237 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.681 -2.893 -0.213 1.00 0.10 C ATOM 1480 C ILE A 124 -2.408 -2.062 -0.303 1.00 0.09 C ATOM 1481 O ILE A 124 -2.451 -0.843 -0.503 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.831 -3.518 1.195 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.311 -3.738 1.501 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.189 -2.645 2.274 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.557 -4.444 2.814 1.00 0.22 C ATOM 0 H ILE A 124 -3.868 -4.871 -0.872 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.526 -2.227 -0.387 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.310 -4.475 1.199 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.818 -2.773 1.516 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.758 -4.320 0.695 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.316 -3.118 3.248 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.126 -2.528 2.063 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.667 -1.665 2.282 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.629 -4.566 2.966 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.079 -5.423 2.796 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.140 -3.852 3.629 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.281 -2.725 -0.161 1.00 0.08 N ATOM 1498 CA LEU A 125 -0.004 -2.080 -0.303 1.00 0.08 C ATOM 1499 C LEU A 125 0.170 -1.509 -1.698 1.00 0.09 C ATOM 1500 O LEU A 125 0.649 -0.394 -1.851 1.00 0.10 O ATOM 1501 CB LEU A 125 1.096 -3.065 0.040 1.00 0.08 C ATOM 1502 CG LEU A 125 1.509 -3.023 1.497 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.437 -4.174 1.824 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.178 -1.695 1.793 1.00 0.09 C ATOM 0 H LEU A 125 -1.229 -3.721 0.055 1.00 0.08 H new ATOM 0 HA LEU A 125 0.052 -1.239 0.389 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.761 -4.073 -0.206 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.966 -2.858 -0.583 1.00 0.08 H new ATOM 0 HG LEU A 125 0.622 -3.123 2.122 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.721 -4.125 2.875 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.928 -5.118 1.630 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.330 -4.109 1.203 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.476 -1.663 2.841 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.060 -1.583 1.162 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.480 -0.883 1.589 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.265 -2.250 -2.703 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.169 -1.795 -4.080 1.00 0.10 C ATOM 1518 C TRP A 126 -0.965 -0.512 -4.281 1.00 0.11 C ATOM 1519 O TRP A 126 -0.532 0.373 -5.014 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.641 -2.867 -5.069 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.753 -2.339 -6.457 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.902 -2.096 -7.143 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.324 -1.951 -7.310 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.603 -1.534 -8.367 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.240 -1.450 -8.494 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.713 -1.973 -7.179 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.543 -0.969 -9.540 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.489 -1.501 -8.219 1.00 0.22 C ATOM 1529 CH2 TRP A 126 1.901 -1.002 -9.385 1.00 0.25 C ATOM 0 H TRP A 126 -0.689 -3.171 -2.591 1.00 0.09 H new ATOM 0 HA TRP A 126 0.884 -1.595 -4.280 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.057 -3.704 -5.055 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.609 -3.253 -4.749 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.898 -2.311 -6.784 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.284 -1.231 -9.063 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.174 -2.353 -6.279 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.093 -0.583 -10.443 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.565 -1.518 -8.130 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.533 -0.635 -10.180 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.126 -0.410 -3.639 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.884 0.828 -3.667 1.00 0.12 C ATOM 1542 C GLU A 127 -2.023 1.960 -3.177 1.00 0.12 C ATOM 1543 O GLU A 127 -1.749 2.878 -3.921 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.152 0.765 -2.823 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.422 0.630 -3.644 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.678 1.802 -4.566 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.042 1.871 -5.640 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.479 2.681 -4.211 1.00 1.43 O ATOM 0 H GLU A 127 -2.555 -1.163 -3.100 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.186 0.991 -4.701 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.081 -0.080 -2.138 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.218 1.666 -2.213 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.365 -0.282 -4.238 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.270 0.518 -2.969 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.566 1.895 -1.934 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.736 2.976 -1.421 1.00 0.11 C ATOM 1557 C HIS A 128 0.511 3.127 -2.267 1.00 0.10 C ATOM 1558 O HIS A 128 1.002 4.233 -2.418 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.357 2.793 0.050 1.00 0.11 C ATOM 1560 CG HIS A 128 0.148 4.067 0.682 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.647 4.133 1.966 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.203 5.336 0.198 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.980 5.384 2.245 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.722 6.130 1.191 1.00 0.15 N ATOM 0 H HIS A 128 -1.747 1.133 -1.281 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.334 3.885 -1.481 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.226 2.437 0.604 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.410 2.023 0.131 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.105 5.660 -0.785 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.393 5.733 3.179 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.882 7.135 1.123 1.00 0.15 H new ATOM 1573 N LEU A 129 1.017 2.036 -2.822 1.00 0.10 N ATOM 1574 CA LEU A 129 2.113 2.105 -3.766 1.00 0.12 C ATOM 1575 C LEU A 129 1.722 3.025 -4.895 1.00 0.15 C ATOM 1576 O LEU A 129 2.444 3.970 -5.230 1.00 0.18 O ATOM 1577 CB LEU A 129 2.443 0.700 -4.298 1.00 0.11 C ATOM 1578 CG LEU A 129 3.619 0.613 -5.272 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.665 1.645 -4.922 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.244 -0.768 -5.225 1.00 0.13 C ATOM 0 H LEU A 129 0.682 1.091 -2.632 1.00 0.10 H new ATOM 0 HA LEU A 129 3.004 2.495 -3.274 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.652 0.051 -3.448 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.557 0.303 -4.793 1.00 0.11 H new ATOM 0 HG LEU A 129 3.244 0.804 -6.277 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.497 1.572 -5.623 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.227 2.641 -4.981 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.027 1.467 -3.910 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.079 -0.813 -5.924 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.604 -0.971 -4.216 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.499 -1.514 -5.501 1.00 0.13 H new ATOM 1592 N GLU A 130 0.549 2.771 -5.434 1.00 0.17 N ATOM 1593 CA GLU A 130 0.041 3.548 -6.526 1.00 0.23 C ATOM 1594 C GLU A 130 -0.281 4.967 -6.068 1.00 0.25 C ATOM 1595 O GLU A 130 -0.074 5.934 -6.792 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.194 2.872 -7.143 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.562 3.413 -8.515 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.804 2.776 -9.101 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.920 3.180 -8.708 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -2.677 1.857 -9.937 1.00 1.80 O ATOM 0 H GLU A 130 -0.071 2.022 -5.124 1.00 0.17 H new ATOM 0 HA GLU A 130 0.810 3.608 -7.296 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.010 1.800 -7.222 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -2.042 3.001 -6.471 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.715 4.490 -8.443 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.726 3.254 -9.196 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.782 5.076 -4.855 1.00 0.20 N ATOM 1608 CA ILE A 131 -1.078 6.360 -4.248 1.00 0.21 C ATOM 1609 C ILE A 131 0.201 7.208 -4.055 1.00 0.22 C ATOM 1610 O ILE A 131 0.223 8.374 -4.411 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.801 6.173 -2.896 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.320 5.952 -3.060 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.585 7.387 -2.016 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.732 4.885 -4.051 1.00 0.23 C ATOM 0 H ILE A 131 -0.996 4.276 -4.260 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.738 6.897 -4.930 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.374 5.281 -2.437 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.737 5.696 -2.086 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.774 6.896 -3.363 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.099 7.244 -1.066 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.518 7.520 -1.835 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.982 8.272 -2.513 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.819 4.818 -4.083 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.355 5.143 -5.041 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.318 3.924 -3.744 1.00 0.23 H new ATOM 1626 N LEU A 132 1.268 6.631 -3.505 1.00 0.18 N ATOM 1627 CA LEU A 132 2.513 7.396 -3.285 1.00 0.20 C ATOM 1628 C LEU A 132 2.954 8.044 -4.579 1.00 0.25 C ATOM 1629 O LEU A 132 3.409 9.190 -4.608 1.00 0.29 O ATOM 1630 CB LEU A 132 3.664 6.517 -2.809 1.00 0.21 C ATOM 1631 CG LEU A 132 3.370 5.609 -1.637 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.006 4.267 -1.915 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.900 6.187 -0.325 1.00 0.25 C ATOM 0 H LEU A 132 1.306 5.657 -3.206 1.00 0.18 H new ATOM 0 HA LEU A 132 2.287 8.135 -2.517 1.00 0.20 H new ATOM 0 HB2 LEU A 132 3.993 5.901 -3.646 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.500 7.163 -2.541 1.00 0.21 H new ATOM 0 HG LEU A 132 2.291 5.507 -1.524 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.808 3.591 -1.083 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.587 3.848 -2.830 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.082 4.392 -2.033 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.669 5.505 0.493 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.980 6.317 -0.395 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.430 7.152 -0.136 1.00 0.25 H new ATOM 1645 N GLN A 133 2.795 7.298 -5.656 1.00 0.28 N ATOM 1646 CA GLN A 133 3.210 7.770 -6.951 1.00 0.38 C ATOM 1647 C GLN A 133 2.145 8.703 -7.510 1.00 0.37 C ATOM 1648 O GLN A 133 2.472 9.641 -8.218 1.00 0.47 O ATOM 1649 CB GLN A 133 3.501 6.596 -7.903 1.00 0.58 C ATOM 1650 CG GLN A 133 2.273 5.986 -8.558 1.00 0.79 C ATOM 1651 CD GLN A 133 2.397 4.491 -8.774 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.069 3.812 -7.855 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 1.864 3.945 -9.740 1.00 0.31 N flip ATOM 0 H GLN A 133 2.382 6.365 -5.654 1.00 0.28 H new ATOM 0 HA GLN A 133 4.142 8.327 -6.851 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.179 6.940 -8.684 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.024 5.817 -7.347 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.400 6.186 -7.937 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.100 6.473 -9.518 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.356 4.504 -10.425 1.00 0.31 H new ATOM 0 HE22 GLN A 133 1.931 2.934 -9.855 1.00 0.31 H new ATOM 1662 N LYS A 134 0.872 8.464 -7.160 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.254 9.265 -7.637 1.00 0.44 C ATOM 1664 C LYS A 134 -0.147 10.753 -7.296 1.00 0.50 C ATOM 1665 O LYS A 134 -0.773 11.580 -7.954 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.571 8.645 -7.103 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.501 9.568 -6.310 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.030 9.793 -4.878 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.143 10.328 -3.988 1.00 2.51 C ATOM 1670 NZ LYS A 134 -3.817 11.519 -4.570 1.00 3.42 N ATOM 0 H LYS A 134 0.599 7.705 -6.535 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.243 9.235 -8.727 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -2.129 8.250 -7.952 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -1.314 7.797 -6.469 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -2.572 10.529 -6.819 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.503 9.140 -6.295 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -1.657 8.855 -4.467 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -1.196 10.495 -4.877 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -3.880 9.542 -3.822 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -2.730 10.589 -3.013 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -4.458 11.935 -3.864 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -3.102 12.222 -4.845 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -4.363 11.234 -5.408 1.00 3.42 H new ATOM 1684 N GLU A 135 0.629 11.111 -6.281 1.00 0.57 N ATOM 1685 CA GLU A 135 0.845 12.523 -5.972 1.00 0.78 C ATOM 1686 C GLU A 135 1.708 13.203 -7.039 1.00 0.87 C ATOM 1687 O GLU A 135 1.919 14.415 -7.007 1.00 1.08 O ATOM 1688 CB GLU A 135 1.466 12.681 -4.587 1.00 0.91 C ATOM 1689 CG GLU A 135 0.514 12.288 -3.463 1.00 1.30 C ATOM 1690 CD GLU A 135 0.949 12.793 -2.101 1.00 1.73 C ATOM 1691 OE1 GLU A 135 1.365 13.962 -2.000 1.00 2.31 O ATOM 1692 OE2 GLU A 135 0.897 12.011 -1.127 1.00 2.15 O ATOM 0 H GLU A 135 1.113 10.457 -5.665 1.00 0.57 H new ATOM 0 HA GLU A 135 -0.126 13.017 -5.971 1.00 0.78 H new ATOM 0 HB2 GLU A 135 2.366 12.069 -4.525 1.00 0.91 H new ATOM 0 HB3 GLU A 135 1.776 13.717 -4.449 1.00 0.91 H new ATOM 0 HG2 GLU A 135 -0.480 12.677 -3.686 1.00 1.30 H new ATOM 0 HG3 GLU A 135 0.431 11.202 -3.430 1.00 1.30 H new ATOM 1699 N ASP A 136 2.201 12.414 -7.975 1.00 0.86 N ATOM 1700 CA ASP A 136 2.910 12.926 -9.138 1.00 1.09 C ATOM 1701 C ASP A 136 2.260 12.341 -10.387 1.00 1.29 C ATOM 1702 O ASP A 136 1.911 13.052 -11.331 1.00 1.78 O ATOM 1703 CB ASP A 136 4.386 12.543 -9.063 1.00 1.62 C ATOM 1704 CG ASP A 136 5.203 13.178 -10.161 1.00 1.94 C ATOM 1705 OD1 ASP A 136 5.670 14.321 -9.971 1.00 2.14 O ATOM 1706 OD2 ASP A 136 5.388 12.541 -11.215 1.00 2.53 O ATOM 0 H ASP A 136 2.122 11.397 -7.952 1.00 0.86 H new ATOM 0 HA ASP A 136 2.851 14.014 -9.170 1.00 1.09 H new ATOM 0 HB2 ASP A 136 4.788 12.844 -8.095 1.00 1.62 H new ATOM 0 HB3 ASP A 136 4.481 11.459 -9.124 1.00 1.62 H new ATOM 1711 N VAL A 137 2.116 11.024 -10.330 1.00 1.29 N ATOM 1712 CA VAL A 137 1.279 10.218 -11.221 1.00 1.83 C ATOM 1713 C VAL A 137 1.436 10.560 -12.721 1.00 2.01 C ATOM 1714 O VAL A 137 0.494 10.949 -13.412 1.00 2.52 O ATOM 1715 CB VAL A 137 -0.203 10.264 -10.730 1.00 2.28 C ATOM 1716 CG1 VAL A 137 -0.946 11.529 -11.138 1.00 2.82 C ATOM 1717 CG2 VAL A 137 -0.961 9.010 -11.132 1.00 2.60 C ATOM 0 H VAL A 137 2.599 10.459 -9.632 1.00 1.29 H new ATOM 0 HA VAL A 137 1.633 9.189 -11.161 1.00 1.83 H new ATOM 0 HB VAL A 137 -0.154 10.295 -9.642 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -1.968 11.488 -10.761 1.00 2.82 H new ATOM 0 HG12 VAL A 137 -0.440 12.399 -10.720 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -0.963 11.606 -12.225 1.00 2.82 H new ATOM 0 HG21 VAL A 137 -1.989 9.076 -10.774 1.00 2.60 H new ATOM 0 HG22 VAL A 137 -0.960 8.917 -12.218 1.00 2.60 H new ATOM 0 HG23 VAL A 137 -0.479 8.137 -10.692 1.00 2.60 H new ATOM 1727 N LYS A 138 2.648 10.381 -13.230 1.00 2.28 N ATOM 1728 CA LYS A 138 2.889 10.492 -14.662 1.00 2.78 C ATOM 1729 C LYS A 138 3.818 9.377 -15.128 1.00 3.41 C ATOM 1730 O LYS A 138 4.923 9.234 -14.558 1.00 4.06 O ATOM 1731 CB LYS A 138 3.444 11.872 -15.051 1.00 3.26 C ATOM 1732 CG LYS A 138 4.748 12.248 -14.374 1.00 3.81 C ATOM 1733 CD LYS A 138 5.353 13.491 -15.010 1.00 4.63 C ATOM 1734 CE LYS A 138 6.622 13.929 -14.301 1.00 5.26 C ATOM 1735 NZ LYS A 138 6.357 14.343 -12.901 1.00 5.57 N ATOM 1736 OXT LYS A 138 3.433 8.638 -16.059 1.00 3.77 O ATOM 0 H LYS A 138 3.475 10.160 -12.676 1.00 2.28 H new ATOM 0 HA LYS A 138 1.930 10.385 -15.168 1.00 2.78 H new ATOM 0 HB2 LYS A 138 3.591 11.897 -16.131 1.00 3.26 H new ATOM 0 HB3 LYS A 138 2.696 12.629 -14.813 1.00 3.26 H new ATOM 0 HG2 LYS A 138 4.573 12.426 -13.313 1.00 3.81 H new ATOM 0 HG3 LYS A 138 5.452 11.419 -14.446 1.00 3.81 H new ATOM 0 HD2 LYS A 138 5.573 13.292 -16.059 1.00 4.63 H new ATOM 0 HD3 LYS A 138 4.625 14.302 -14.986 1.00 4.63 H new ATOM 0 HE2 LYS A 138 7.343 13.111 -14.308 1.00 5.26 H new ATOM 0 HE3 LYS A 138 7.075 14.758 -14.845 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 7.131 14.952 -12.567 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 5.460 14.868 -12.858 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 6.294 13.500 -12.296 1.00 5.57 H new TER 1750 LYS A 138