USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 519 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.4!) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 110:sc= -0.303 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.00154 USER MOD Single : A 9 ASN : amide:sc= 2.01 K(o=2,f=-0.29) USER MOD Single : A -2 GLN :FLIP amide:sc= -0.015 F(o=-0.66,f=-0.015) USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -70:sc= -1.57! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.514! C(o=0.51!,f=-14!) USER MOD Single : A 23 ASN : amide:sc= -0.0312 K(o=-0.031,f=-1.4!) USER MOD Single : A 29 ASN :FLIP amide:sc= -2.14! C(o=-4.8!,f=-2.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0251 (180deg=-0.235) USER MOD Single : A 39 ASN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.33) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0177 (180deg=-0.147) USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc=-0.00675 X(o=-0.0068,f=0) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.26) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 167:sc= 1.19 (180deg=0.853) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 28.580 -7.604 -3.660 1.00 16.77 N ATOM 2 CA MET A -18 27.605 -8.009 -4.698 1.00 16.30 C ATOM 3 C MET A -18 27.691 -7.083 -5.905 1.00 15.80 C ATOM 4 O MET A -18 26.736 -6.382 -6.237 1.00 15.75 O ATOM 5 CB MET A -18 26.180 -8.003 -4.134 1.00 16.41 C ATOM 6 CG MET A -18 25.902 -9.118 -3.136 1.00 16.85 C ATOM 7 SD MET A -18 26.845 -8.950 -1.608 1.00 17.18 S ATOM 8 CE MET A -18 26.282 -10.395 -0.711 1.00 17.45 C ATOM 0 H1 MET A -18 28.363 -8.095 -2.769 1.00 16.77 H new ATOM 0 H2 MET A -18 29.541 -7.856 -3.969 1.00 16.77 H new ATOM 0 H3 MET A -18 28.522 -6.576 -3.511 1.00 16.77 H new ATOM 0 HA MET A -18 27.851 -9.022 -5.015 1.00 16.30 H new ATOM 0 HB2 MET A -18 25.996 -7.043 -3.651 1.00 16.41 H new ATOM 0 HB3 MET A -18 25.473 -8.085 -4.960 1.00 16.41 H new ATOM 0 HG2 MET A -18 24.838 -9.129 -2.900 1.00 16.85 H new ATOM 0 HG3 MET A -18 26.137 -10.077 -3.597 1.00 16.85 H new ATOM 0 HE1 MET A -18 26.775 -10.435 0.260 1.00 17.45 H new ATOM 0 HE2 MET A -18 25.203 -10.337 -0.568 1.00 17.45 H new ATOM 0 HE3 MET A -18 26.525 -11.293 -1.279 1.00 17.45 H new ATOM 20 N ALA A -17 28.844 -7.080 -6.561 1.00 15.58 N ATOM 21 CA ALA A -17 29.059 -6.223 -7.717 1.00 15.28 C ATOM 22 C ALA A -17 28.581 -6.896 -8.997 1.00 14.65 C ATOM 23 O ALA A -17 28.186 -6.223 -9.947 1.00 14.54 O ATOM 24 CB ALA A -17 30.529 -5.849 -7.833 1.00 15.75 C ATOM 0 H ALA A -17 29.644 -7.662 -6.312 1.00 15.58 H new ATOM 0 HA ALA A -17 28.475 -5.314 -7.576 1.00 15.28 H new ATOM 0 HB1 ALA A -17 30.674 -5.208 -8.702 1.00 15.75 H new ATOM 0 HB2 ALA A -17 30.841 -5.317 -6.934 1.00 15.75 H new ATOM 0 HB3 ALA A -17 31.127 -6.753 -7.946 1.00 15.75 H new ATOM 30 N HIS A -16 28.608 -8.222 -9.015 1.00 14.40 N ATOM 31 CA HIS A -16 28.208 -8.973 -10.196 1.00 13.97 C ATOM 32 C HIS A -16 26.690 -9.117 -10.244 1.00 13.40 C ATOM 33 O HIS A -16 26.071 -8.919 -11.289 1.00 13.34 O ATOM 34 CB HIS A -16 28.880 -10.350 -10.212 1.00 14.30 C ATOM 35 CG HIS A -16 28.630 -11.128 -11.468 1.00 14.69 C ATOM 36 ND1 HIS A -16 29.280 -10.868 -12.652 1.00 15.06 N ATOM 37 CD2 HIS A -16 27.793 -12.161 -11.721 1.00 14.94 C ATOM 38 CE1 HIS A -16 28.856 -11.705 -13.578 1.00 15.50 C ATOM 39 NE2 HIS A -16 27.955 -12.500 -13.039 1.00 15.44 N ATOM 0 H HIS A -16 28.902 -8.798 -8.226 1.00 14.40 H new ATOM 0 HA HIS A -16 28.532 -8.425 -11.081 1.00 13.97 H new ATOM 0 HB2 HIS A -16 29.955 -10.221 -10.083 1.00 14.30 H new ATOM 0 HB3 HIS A -16 28.523 -10.928 -9.360 1.00 14.30 H new ATOM 0 HD2 HIS A -16 27.123 -12.630 -11.016 1.00 14.94 H new ATOM 0 HE1 HIS A -16 29.191 -11.734 -14.604 1.00 15.50 H new ATOM 0 HE2 HIS A -16 27.458 -13.247 -13.524 1.00 15.44 H new ATOM 48 N HIS A -15 26.095 -9.461 -9.111 1.00 13.18 N ATOM 49 CA HIS A -15 24.645 -9.547 -9.017 1.00 12.80 C ATOM 50 C HIS A -15 24.159 -8.742 -7.819 1.00 12.10 C ATOM 51 O HIS A -15 24.670 -8.890 -6.712 1.00 12.11 O ATOM 52 CB HIS A -15 24.172 -11.011 -8.936 1.00 13.32 C ATOM 53 CG HIS A -15 24.550 -11.741 -7.677 1.00 13.69 C ATOM 54 ND1 HIS A -15 25.723 -12.451 -7.535 1.00 14.05 N ATOM 55 CD2 HIS A -15 23.887 -11.883 -6.504 1.00 13.95 C ATOM 56 CE1 HIS A -15 25.763 -12.995 -6.334 1.00 14.50 C ATOM 57 NE2 HIS A -15 24.663 -12.666 -5.689 1.00 14.45 N ATOM 0 H HIS A -15 26.591 -9.684 -8.248 1.00 13.18 H new ATOM 0 HA HIS A -15 24.212 -9.123 -9.923 1.00 12.80 H new ATOM 0 HB2 HIS A -15 23.087 -11.031 -9.036 1.00 13.32 H new ATOM 0 HB3 HIS A -15 24.580 -11.555 -9.788 1.00 13.32 H new ATOM 0 HD2 HIS A -15 22.925 -11.458 -6.257 1.00 13.95 H new ATOM 0 HE1 HIS A -15 26.563 -13.607 -5.945 1.00 14.50 H new ATOM 0 HE2 HIS A -15 24.427 -12.948 -4.738 1.00 14.45 H new ATOM 66 N HIS A -14 23.187 -7.879 -8.053 1.00 11.67 N ATOM 67 CA HIS A -14 22.684 -6.994 -7.011 1.00 11.15 C ATOM 68 C HIS A -14 21.362 -7.511 -6.463 1.00 10.45 C ATOM 69 O HIS A -14 20.546 -8.050 -7.210 1.00 10.24 O ATOM 70 CB HIS A -14 22.505 -5.579 -7.565 1.00 11.34 C ATOM 71 CG HIS A -14 23.785 -4.935 -7.998 1.00 11.78 C ATOM 72 ND1 HIS A -14 24.297 -5.050 -9.274 1.00 12.06 N ATOM 73 CD2 HIS A -14 24.662 -4.168 -7.312 1.00 12.20 C ATOM 74 CE1 HIS A -14 25.433 -4.384 -9.350 1.00 12.61 C ATOM 75 NE2 HIS A -14 25.677 -3.839 -8.174 1.00 12.71 N ATOM 0 H HIS A -14 22.727 -7.770 -8.957 1.00 11.67 H new ATOM 0 HA HIS A -14 23.410 -6.968 -6.198 1.00 11.15 H new ATOM 0 HB2 HIS A -14 21.821 -5.614 -8.413 1.00 11.34 H new ATOM 0 HB3 HIS A -14 22.035 -4.957 -6.803 1.00 11.34 H new ATOM 0 HD2 HIS A -14 24.579 -3.870 -6.277 1.00 12.20 H new ATOM 0 HE1 HIS A -14 26.058 -4.299 -10.227 1.00 12.61 H new ATOM 0 HE2 HIS A -14 26.489 -3.266 -7.943 1.00 12.71 H new ATOM 84 N HIS A -13 21.160 -7.359 -5.159 1.00 10.29 N ATOM 85 CA HIS A -13 19.918 -7.796 -4.529 1.00 9.83 C ATOM 86 C HIS A -13 18.791 -6.834 -4.891 1.00 9.17 C ATOM 87 O HIS A -13 18.806 -5.664 -4.513 1.00 9.24 O ATOM 88 CB HIS A -13 20.071 -7.933 -2.996 1.00 10.33 C ATOM 89 CG HIS A -13 20.338 -6.651 -2.250 1.00 10.72 C ATOM 90 ND1 HIS A -13 21.603 -6.159 -2.029 1.00 11.23 N ATOM 91 CD2 HIS A -13 19.490 -5.772 -1.659 1.00 10.91 C ATOM 92 CE1 HIS A -13 21.525 -5.037 -1.340 1.00 11.69 C ATOM 93 NE2 HIS A -13 20.256 -4.779 -1.102 1.00 11.52 N ATOM 0 H HIS A -13 21.835 -6.939 -4.520 1.00 10.29 H new ATOM 0 HA HIS A -13 19.670 -8.787 -4.908 1.00 9.83 H new ATOM 0 HB2 HIS A -13 19.161 -8.382 -2.597 1.00 10.33 H new ATOM 0 HB3 HIS A -13 20.885 -8.628 -2.791 1.00 10.33 H new ATOM 0 HD2 HIS A -13 18.413 -5.841 -1.632 1.00 10.91 H new ATOM 0 HE1 HIS A -13 22.362 -4.432 -1.024 1.00 11.69 H new ATOM 0 HE2 HIS A -13 19.901 -3.973 -0.588 1.00 11.52 H new ATOM 102 N HIS A -12 17.827 -7.322 -5.652 1.00 8.78 N ATOM 103 CA HIS A -12 16.743 -6.477 -6.122 1.00 8.39 C ATOM 104 C HIS A -12 15.586 -6.483 -5.142 1.00 7.80 C ATOM 105 O HIS A -12 14.689 -7.321 -5.220 1.00 7.91 O ATOM 106 CB HIS A -12 16.277 -6.913 -7.509 1.00 8.72 C ATOM 107 CG HIS A -12 17.320 -6.718 -8.560 1.00 8.98 C ATOM 108 ND1 HIS A -12 17.830 -7.748 -9.317 1.00 9.31 N ATOM 109 CD2 HIS A -12 17.962 -5.599 -8.969 1.00 9.28 C ATOM 110 CE1 HIS A -12 18.742 -7.274 -10.143 1.00 9.77 C ATOM 111 NE2 HIS A -12 18.840 -5.973 -9.952 1.00 9.76 N ATOM 0 H HIS A -12 17.772 -8.294 -5.956 1.00 8.78 H new ATOM 0 HA HIS A -12 17.120 -5.457 -6.194 1.00 8.39 H new ATOM 0 HB2 HIS A -12 15.992 -7.965 -7.477 1.00 8.72 H new ATOM 0 HB3 HIS A -12 15.385 -6.349 -7.781 1.00 8.72 H new ATOM 0 HD2 HIS A -12 17.811 -4.599 -8.591 1.00 9.28 H new ATOM 0 HE1 HIS A -12 19.312 -7.853 -10.855 1.00 9.77 H new ATOM 0 HE2 HIS A -12 19.468 -5.346 -10.455 1.00 9.76 H new ATOM 120 N HIS A -11 15.619 -5.546 -4.214 1.00 7.48 N ATOM 121 CA HIS A -11 14.565 -5.413 -3.229 1.00 7.19 C ATOM 122 C HIS A -11 13.554 -4.379 -3.700 1.00 6.46 C ATOM 123 O HIS A -11 13.878 -3.199 -3.833 1.00 6.49 O ATOM 124 CB HIS A -11 15.154 -5.009 -1.871 1.00 7.84 C ATOM 125 CG HIS A -11 14.136 -4.895 -0.772 1.00 8.37 C ATOM 126 ND1 HIS A -11 13.815 -5.936 0.071 1.00 8.98 N ATOM 127 CD2 HIS A -11 13.375 -3.849 -0.379 1.00 8.69 C ATOM 128 CE1 HIS A -11 12.900 -5.535 0.933 1.00 9.59 C ATOM 129 NE2 HIS A -11 12.617 -4.272 0.680 1.00 9.44 N ATOM 0 H HIS A -11 16.370 -4.862 -4.122 1.00 7.48 H new ATOM 0 HA HIS A -11 14.062 -6.373 -3.111 1.00 7.19 H new ATOM 0 HB2 HIS A -11 15.906 -5.742 -1.580 1.00 7.84 H new ATOM 0 HB3 HIS A -11 15.666 -4.053 -1.979 1.00 7.84 H new ATOM 0 HD2 HIS A -11 13.366 -2.863 -0.819 1.00 8.69 H new ATOM 0 HE1 HIS A -11 12.458 -6.138 1.713 1.00 9.59 H new ATOM 0 HE2 HIS A -11 11.942 -3.702 1.191 1.00 9.44 H new ATOM 138 N SER A -10 12.338 -4.826 -3.969 1.00 6.16 N ATOM 139 CA SER A -10 11.276 -3.932 -4.397 1.00 5.80 C ATOM 140 C SER A -10 10.816 -3.064 -3.229 1.00 5.14 C ATOM 141 O SER A -10 9.924 -3.444 -2.467 1.00 5.44 O ATOM 142 CB SER A -10 10.108 -4.745 -4.951 1.00 6.45 C ATOM 143 OG SER A -10 10.546 -5.635 -5.967 1.00 7.05 O ATOM 0 H SER A -10 12.062 -5.805 -3.898 1.00 6.16 H new ATOM 0 HA SER A -10 11.654 -3.279 -5.183 1.00 5.80 H new ATOM 0 HB2 SER A -10 9.638 -5.309 -4.145 1.00 6.45 H new ATOM 0 HB3 SER A -10 9.350 -4.073 -5.353 1.00 6.45 H new ATOM 0 HG SER A -10 9.782 -6.146 -6.306 1.00 7.05 H new ATOM 149 N SER A -9 11.439 -1.905 -3.084 1.00 4.65 N ATOM 150 CA SER A -9 11.150 -1.021 -1.973 1.00 4.40 C ATOM 151 C SER A -9 9.965 -0.111 -2.297 1.00 3.47 C ATOM 152 O SER A -9 10.099 1.113 -2.359 1.00 3.79 O ATOM 153 CB SER A -9 12.393 -0.195 -1.628 1.00 5.30 C ATOM 154 OG SER A -9 12.258 0.441 -0.369 1.00 6.01 O ATOM 0 H SER A -9 12.150 -1.556 -3.726 1.00 4.65 H new ATOM 0 HA SER A -9 10.879 -1.624 -1.106 1.00 4.40 H new ATOM 0 HB2 SER A -9 13.270 -0.842 -1.618 1.00 5.30 H new ATOM 0 HB3 SER A -9 12.559 0.556 -2.401 1.00 5.30 H new ATOM 0 HG SER A -9 13.067 0.959 -0.176 1.00 6.01 H new ATOM 160 N GLY A -8 8.810 -0.725 -2.521 1.00 2.88 N ATOM 161 CA GLY A -8 7.594 0.032 -2.742 1.00 2.53 C ATOM 162 C GLY A -8 7.085 0.639 -1.454 1.00 2.03 C ATOM 163 O GLY A -8 6.458 1.700 -1.457 1.00 2.46 O ATOM 0 H GLY A -8 8.694 -1.738 -2.554 1.00 2.88 H new ATOM 0 HA2 GLY A -8 7.781 0.821 -3.470 1.00 2.53 H new ATOM 0 HA3 GLY A -8 6.830 -0.619 -3.167 1.00 2.53 H new ATOM 167 N LEU A -7 7.382 -0.035 -0.347 1.00 1.44 N ATOM 168 CA LEU A -7 6.998 0.431 0.979 1.00 1.02 C ATOM 169 C LEU A -7 7.904 1.582 1.424 1.00 1.01 C ATOM 170 O LEU A -7 8.601 1.507 2.434 1.00 1.40 O ATOM 171 CB LEU A -7 7.021 -0.722 2.001 1.00 0.97 C ATOM 172 CG LEU A -7 8.348 -1.479 2.164 1.00 1.54 C ATOM 173 CD1 LEU A -7 8.417 -2.117 3.541 1.00 2.25 C ATOM 174 CD2 LEU A -7 8.505 -2.556 1.096 1.00 2.06 C ATOM 0 H LEU A -7 7.894 -0.917 -0.345 1.00 1.44 H new ATOM 0 HA LEU A -7 5.975 0.803 0.927 1.00 1.02 H new ATOM 0 HB2 LEU A -7 6.738 -0.319 2.974 1.00 0.97 H new ATOM 0 HB3 LEU A -7 6.252 -1.441 1.718 1.00 0.97 H new ATOM 0 HG LEU A -7 9.160 -0.760 2.051 1.00 1.54 H new ATOM 0 HD11 LEU A -7 9.361 -2.651 3.648 1.00 2.25 H new ATOM 0 HD12 LEU A -7 8.350 -1.342 4.305 1.00 2.25 H new ATOM 0 HD13 LEU A -7 7.589 -2.816 3.660 1.00 2.25 H new ATOM 0 HD21 LEU A -7 9.454 -3.074 1.238 1.00 2.06 H new ATOM 0 HD22 LEU A -7 7.686 -3.271 1.177 1.00 2.06 H new ATOM 0 HD23 LEU A -7 8.488 -2.095 0.109 1.00 2.06 H new ATOM 186 N GLU A -6 7.871 2.650 0.646 1.00 1.01 N ATOM 187 CA GLU A -6 8.720 3.809 0.857 1.00 1.15 C ATOM 188 C GLU A -6 8.082 4.787 1.842 1.00 1.03 C ATOM 189 O GLU A -6 8.765 5.612 2.453 1.00 1.77 O ATOM 190 CB GLU A -6 8.950 4.486 -0.492 1.00 1.65 C ATOM 191 CG GLU A -6 9.971 5.607 -0.474 1.00 2.27 C ATOM 192 CD GLU A -6 10.184 6.190 -1.850 1.00 2.92 C ATOM 193 OE1 GLU A -6 9.744 7.336 -2.089 1.00 3.35 O ATOM 194 OE2 GLU A -6 10.805 5.518 -2.696 1.00 3.44 O ATOM 0 H GLU A -6 7.248 2.738 -0.157 1.00 1.01 H new ATOM 0 HA GLU A -6 9.670 3.490 1.286 1.00 1.15 H new ATOM 0 HB2 GLU A -6 9.271 3.732 -1.211 1.00 1.65 H new ATOM 0 HB3 GLU A -6 8.000 4.884 -0.850 1.00 1.65 H new ATOM 0 HG2 GLU A -6 9.638 6.391 0.206 1.00 2.27 H new ATOM 0 HG3 GLU A -6 10.918 5.230 -0.088 1.00 2.27 H new ATOM 201 N VAL A -5 6.770 4.681 1.993 1.00 0.68 N ATOM 202 CA VAL A -5 6.021 5.580 2.858 1.00 0.59 C ATOM 203 C VAL A -5 6.203 5.194 4.330 1.00 0.89 C ATOM 204 O VAL A -5 5.910 4.072 4.735 1.00 1.67 O ATOM 205 CB VAL A -5 4.515 5.586 2.488 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.895 4.210 2.662 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.767 6.630 3.294 1.00 0.85 C ATOM 0 H VAL A -5 6.200 3.977 1.525 1.00 0.68 H new ATOM 0 HA VAL A -5 6.413 6.586 2.710 1.00 0.59 H new ATOM 0 HB VAL A -5 4.432 5.849 1.434 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.839 4.250 2.394 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.406 3.496 2.016 1.00 0.71 H new ATOM 0 HG13 VAL A -5 3.994 3.895 3.701 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.713 6.616 3.018 1.00 0.85 H new ATOM 0 HG22 VAL A -5 3.867 6.409 4.357 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.183 7.616 3.088 1.00 0.85 H new ATOM 217 N LEU A -4 6.719 6.118 5.123 1.00 0.83 N ATOM 218 CA LEU A -4 6.953 5.858 6.535 1.00 1.12 C ATOM 219 C LEU A -4 6.109 6.787 7.402 1.00 1.15 C ATOM 220 O LEU A -4 5.803 6.476 8.555 1.00 1.67 O ATOM 221 CB LEU A -4 8.440 6.034 6.855 1.00 1.58 C ATOM 222 CG LEU A -4 8.860 5.660 8.278 1.00 2.31 C ATOM 223 CD1 LEU A -4 8.623 4.180 8.543 1.00 3.12 C ATOM 224 CD2 LEU A -4 10.319 6.017 8.507 1.00 2.85 C ATOM 0 H LEU A -4 6.984 7.054 4.815 1.00 0.83 H new ATOM 0 HA LEU A -4 6.661 4.831 6.755 1.00 1.12 H new ATOM 0 HB2 LEU A -4 9.018 5.431 6.155 1.00 1.58 H new ATOM 0 HB3 LEU A -4 8.711 7.075 6.677 1.00 1.58 H new ATOM 0 HG LEU A -4 8.248 6.229 8.977 1.00 2.31 H new ATOM 0 HD11 LEU A -4 8.929 3.939 9.561 1.00 3.12 H new ATOM 0 HD12 LEU A -4 7.564 3.953 8.419 1.00 3.12 H new ATOM 0 HD13 LEU A -4 9.206 3.586 7.839 1.00 3.12 H new ATOM 0 HD21 LEU A -4 10.605 5.746 9.523 1.00 2.85 H new ATOM 0 HD22 LEU A -4 10.942 5.473 7.797 1.00 2.85 H new ATOM 0 HD23 LEU A -4 10.458 7.089 8.365 1.00 2.85 H new ATOM 236 N PHE A -3 5.721 7.919 6.833 1.00 1.03 N ATOM 237 CA PHE A -3 4.954 8.921 7.558 1.00 1.19 C ATOM 238 C PHE A -3 3.468 8.579 7.552 1.00 1.23 C ATOM 239 O PHE A -3 2.940 8.096 6.547 1.00 2.17 O ATOM 240 CB PHE A -3 5.181 10.314 6.951 1.00 1.32 C ATOM 241 CG PHE A -3 4.771 10.437 5.507 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.633 10.050 4.491 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.523 10.936 5.164 1.00 1.27 C ATOM 244 CE1 PHE A -3 5.260 10.159 3.166 1.00 1.10 C ATOM 245 CE2 PHE A -3 3.146 11.046 3.838 1.00 1.30 C ATOM 246 CZ PHE A -3 4.010 10.671 2.841 1.00 1.15 C ATOM 0 H PHE A -3 5.926 8.167 5.865 1.00 1.03 H new ATOM 0 HA PHE A -3 5.299 8.928 8.592 1.00 1.19 H new ATOM 0 HB2 PHE A -3 4.627 11.047 7.537 1.00 1.32 H new ATOM 0 HB3 PHE A -3 6.237 10.568 7.039 1.00 1.32 H new ATOM 0 HD1 PHE A -3 6.608 9.658 4.740 1.00 1.05 H new ATOM 0 HD2 PHE A -3 2.838 11.242 5.941 1.00 1.27 H new ATOM 0 HE1 PHE A -3 5.938 9.847 2.385 1.00 1.10 H new ATOM 0 HE2 PHE A -3 2.168 11.429 3.587 1.00 1.30 H new ATOM 0 HZ PHE A -3 3.719 10.773 1.806 1.00 1.15 H new ATOM 256 N GLN A -2 2.815 8.813 8.688 1.00 0.89 N ATOM 257 CA GLN A -2 1.370 8.630 8.832 1.00 0.86 C ATOM 258 C GLN A -2 0.935 7.236 8.392 1.00 1.00 C ATOM 259 O GLN A -2 0.324 7.076 7.335 1.00 1.69 O ATOM 260 CB GLN A -2 0.615 9.695 8.024 1.00 1.18 C ATOM 261 CG GLN A -2 0.989 11.124 8.398 1.00 1.89 C ATOM 262 CD GLN A -2 0.676 11.468 9.844 1.00 2.22 C ATOM 263 OE1 GLN A -2 -0.393 10.900 10.381 1.00 2.74 O flip ATOM 264 NE2 GLN A -2 1.381 12.258 10.469 1.00 2.71 N flip ATOM 0 H GLN A -2 3.274 9.136 9.539 1.00 0.89 H new ATOM 0 HA GLN A -2 1.127 8.740 9.889 1.00 0.86 H new ATOM 0 HB2 GLN A -2 0.813 9.542 6.963 1.00 1.18 H new ATOM 0 HB3 GLN A -2 -0.456 9.559 8.171 1.00 1.18 H new ATOM 0 HG2 GLN A -2 2.054 11.272 8.219 1.00 1.89 H new ATOM 0 HG3 GLN A -2 0.457 11.815 7.744 1.00 1.89 H new ATOM 0 HE21 GLN A -2 2.197 12.676 10.023 1.00 2.71 H new ATOM 0 HE22 GLN A -2 1.150 12.495 11.434 1.00 2.71 H new ATOM 273 N GLY A -1 1.257 6.229 9.195 1.00 0.85 N ATOM 274 CA GLY A -1 0.889 4.872 8.851 1.00 1.20 C ATOM 275 C GLY A -1 1.314 3.855 9.894 1.00 0.93 C ATOM 276 O GLY A -1 2.492 3.786 10.250 1.00 1.43 O ATOM 0 H GLY A -1 1.764 6.329 10.074 1.00 0.85 H new ATOM 0 HA2 GLY A -1 -0.192 4.818 8.719 1.00 1.20 H new ATOM 0 HA3 GLY A -1 1.340 4.611 7.894 1.00 1.20 H new ATOM 280 N PRO A 0 0.363 3.063 10.412 1.00 0.95 N ATOM 281 CA PRO A 0 0.647 1.967 11.346 1.00 1.19 C ATOM 282 C PRO A 0 1.205 0.733 10.632 1.00 1.08 C ATOM 283 O PRO A 0 1.821 0.844 9.568 1.00 1.62 O ATOM 284 CB PRO A 0 -0.730 1.667 11.939 1.00 1.86 C ATOM 285 CG PRO A 0 -1.686 2.018 10.857 1.00 2.08 C ATOM 286 CD PRO A 0 -1.082 3.192 10.139 1.00 1.60 C ATOM 0 HA PRO A 0 1.402 2.231 12.086 1.00 1.19 H new ATOM 0 HB2 PRO A 0 -0.820 0.619 12.223 1.00 1.86 H new ATOM 0 HB3 PRO A 0 -0.913 2.257 12.837 1.00 1.86 H new ATOM 0 HG2 PRO A 0 -1.833 1.178 10.178 1.00 2.08 H new ATOM 0 HG3 PRO A 0 -2.664 2.271 11.267 1.00 2.08 H new ATOM 0 HD2 PRO A 0 -1.292 3.159 9.070 1.00 1.60 H new ATOM 0 HD3 PRO A 0 -1.477 4.137 10.513 1.00 1.60 H new ATOM 294 N ARG A 1 0.998 -0.439 11.226 1.00 1.01 N ATOM 295 CA ARG A 1 1.456 -1.689 10.641 1.00 1.19 C ATOM 296 C ARG A 1 0.603 -2.854 11.152 1.00 0.86 C ATOM 297 O ARG A 1 -0.023 -2.754 12.208 1.00 1.02 O ATOM 298 CB ARG A 1 2.931 -1.906 10.985 1.00 1.95 C ATOM 299 CG ARG A 1 3.578 -3.054 10.235 1.00 2.38 C ATOM 300 CD ARG A 1 5.061 -3.132 10.534 1.00 3.12 C ATOM 301 NE ARG A 1 5.701 -4.239 9.836 1.00 3.69 N ATOM 302 CZ ARG A 1 7.012 -4.335 9.645 1.00 4.54 C ATOM 303 NH1 ARG A 1 7.812 -3.356 10.039 1.00 4.90 N ATOM 304 NH2 ARG A 1 7.519 -5.400 9.042 1.00 5.35 N ATOM 0 H ARG A 1 0.513 -0.546 12.117 1.00 1.01 H new ATOM 0 HA ARG A 1 1.352 -1.641 9.557 1.00 1.19 H new ATOM 0 HB2 ARG A 1 3.482 -0.990 10.771 1.00 1.95 H new ATOM 0 HB3 ARG A 1 3.020 -2.089 12.056 1.00 1.95 H new ATOM 0 HG2 ARG A 1 3.098 -3.992 10.514 1.00 2.38 H new ATOM 0 HG3 ARG A 1 3.426 -2.924 9.163 1.00 2.38 H new ATOM 0 HD2 ARG A 1 5.539 -2.196 10.244 1.00 3.12 H new ATOM 0 HD3 ARG A 1 5.209 -3.247 11.608 1.00 3.12 H new ATOM 0 HE ARG A 1 5.107 -4.984 9.472 1.00 3.69 H new ATOM 0 HH11 ARG A 1 7.421 -2.528 10.489 1.00 4.90 H new ATOM 0 HH12 ARG A 1 8.819 -3.430 9.892 1.00 4.90 H new ATOM 0 HH21 ARG A 1 6.902 -6.148 8.724 1.00 5.35 H new ATOM 0 HH22 ARG A 1 8.526 -5.472 8.896 1.00 5.35 H new ATOM 318 N ARG A 2 0.588 -3.955 10.405 1.00 0.78 N ATOM 319 CA ARG A 2 -0.234 -5.117 10.749 1.00 0.56 C ATOM 320 C ARG A 2 0.348 -6.351 10.057 1.00 0.65 C ATOM 321 O ARG A 2 1.334 -6.231 9.325 1.00 1.49 O ATOM 322 CB ARG A 2 -1.712 -4.889 10.329 1.00 0.50 C ATOM 323 CG ARG A 2 -2.699 -5.653 11.178 1.00 0.88 C ATOM 324 CD ARG A 2 -4.079 -5.020 11.136 1.00 1.32 C ATOM 325 NE ARG A 2 -5.064 -5.807 11.876 1.00 1.72 N ATOM 326 CZ ARG A 2 -6.161 -5.297 12.436 1.00 2.37 C ATOM 327 NH1 ARG A 2 -6.402 -3.992 12.373 1.00 2.94 N ATOM 328 NH2 ARG A 2 -7.012 -6.093 13.069 1.00 2.90 N ATOM 0 H ARG A 2 1.138 -4.069 9.553 1.00 0.78 H new ATOM 0 HA ARG A 2 -0.223 -5.268 11.828 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -1.939 -3.825 10.389 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -1.836 -5.183 9.287 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -2.760 -6.684 10.828 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -2.344 -5.687 12.208 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -4.030 -4.015 11.554 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -4.400 -4.919 10.099 1.00 1.32 H new ATOM 0 HE ARG A 2 -4.902 -6.810 11.970 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -5.746 -3.375 11.894 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -7.243 -3.607 12.803 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -6.827 -7.094 13.127 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -7.852 -5.704 13.498 1.00 2.90 H new ATOM 342 N ALA A 3 -0.208 -7.530 10.313 1.00 0.64 N ATOM 343 CA ALA A 3 0.151 -8.713 9.535 1.00 0.58 C ATOM 344 C ALA A 3 -1.056 -9.658 9.430 1.00 0.60 C ATOM 345 O ALA A 3 -2.022 -9.490 10.179 1.00 1.09 O ATOM 346 CB ALA A 3 1.354 -9.434 10.137 1.00 0.69 C ATOM 0 H ALA A 3 -0.901 -7.693 11.044 1.00 0.64 H new ATOM 0 HA ALA A 3 0.435 -8.389 8.534 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.593 -10.309 9.533 1.00 0.69 H new ATOM 0 HB2 ALA A 3 2.211 -8.760 10.155 1.00 0.69 H new ATOM 0 HB3 ALA A 3 1.118 -9.748 11.154 1.00 0.69 H new ATOM 352 N GLY A 4 -1.010 -10.656 8.528 1.00 0.44 N ATOM 353 CA GLY A 4 -2.170 -11.500 8.286 1.00 0.52 C ATOM 354 C GLY A 4 -3.428 -10.700 7.993 1.00 0.39 C ATOM 355 O GLY A 4 -4.513 -11.047 8.460 1.00 0.54 O ATOM 0 H GLY A 4 -0.190 -10.887 7.968 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -1.963 -12.163 7.446 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -2.342 -12.133 9.157 1.00 0.52 H new ATOM 359 N THR A 5 -3.289 -9.629 7.222 1.00 0.26 N ATOM 360 CA THR A 5 -4.400 -8.724 6.981 1.00 0.18 C ATOM 361 C THR A 5 -4.727 -8.642 5.491 1.00 0.14 C ATOM 362 O THR A 5 -4.073 -9.291 4.676 1.00 0.15 O ATOM 363 CB THR A 5 -4.068 -7.323 7.528 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.127 -7.447 8.601 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.322 -6.620 8.056 1.00 0.34 C ATOM 0 H THR A 5 -2.420 -9.368 6.755 1.00 0.26 H new ATOM 0 HA THR A 5 -5.276 -9.113 7.500 1.00 0.18 H new ATOM 0 HB THR A 5 -3.652 -6.731 6.713 1.00 0.25 H new ATOM 0 HG1 THR A 5 -2.257 -7.097 8.316 1.00 0.38 H new ATOM 0 HG21 THR A 5 -5.054 -5.634 8.435 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.047 -6.514 7.249 1.00 0.34 H new ATOM 0 HG23 THR A 5 -5.759 -7.211 8.861 1.00 0.34 H new ATOM 373 N CYS A 6 -5.750 -7.862 5.145 1.00 0.15 N ATOM 374 CA CYS A 6 -6.141 -7.659 3.756 1.00 0.14 C ATOM 375 C CYS A 6 -6.380 -6.185 3.471 1.00 0.13 C ATOM 376 O CYS A 6 -6.742 -5.421 4.368 1.00 0.15 O ATOM 377 CB CYS A 6 -7.396 -8.473 3.450 1.00 0.17 C ATOM 378 SG CYS A 6 -8.380 -8.876 4.913 1.00 0.86 S ATOM 0 H CYS A 6 -6.327 -7.357 5.818 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.330 -7.998 3.111 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -8.017 -7.916 2.748 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.105 -9.399 2.953 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.424 -9.564 4.558 1.00 0.86 H new ATOM 384 N CYS A 7 -6.169 -5.785 2.219 1.00 0.12 N ATOM 385 CA CYS A 7 -6.196 -4.372 1.870 1.00 0.11 C ATOM 386 C CYS A 7 -7.627 -3.880 1.622 1.00 0.10 C ATOM 387 O CYS A 7 -8.336 -4.437 0.783 1.00 0.10 O ATOM 388 CB CYS A 7 -5.293 -4.091 0.660 1.00 0.14 C ATOM 389 SG CYS A 7 -5.124 -2.340 0.280 1.00 0.21 S ATOM 0 H CYS A 7 -5.980 -6.414 1.439 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.805 -3.813 2.720 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.305 -4.510 0.849 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.696 -4.606 -0.212 1.00 0.14 H new ATOM 394 N ALA A 8 -8.023 -2.826 2.363 1.00 0.13 N ATOM 395 CA ALA A 8 -9.342 -2.173 2.266 1.00 0.17 C ATOM 396 C ALA A 8 -9.629 -1.576 0.891 1.00 0.21 C ATOM 397 O ALA A 8 -10.434 -0.656 0.765 1.00 0.31 O ATOM 398 CB ALA A 8 -9.447 -1.060 3.301 1.00 0.18 C ATOM 0 H ALA A 8 -7.419 -2.395 3.063 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.078 -2.957 2.446 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.424 -0.582 3.224 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.326 -1.479 4.300 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.666 -0.321 3.121 1.00 0.18 H new ATOM 404 N ASN A 9 -8.988 -2.090 -0.128 1.00 0.18 N ATOM 405 CA ASN A 9 -9.082 -1.496 -1.444 1.00 0.23 C ATOM 406 C ASN A 9 -8.709 -2.486 -2.536 1.00 0.24 C ATOM 407 O ASN A 9 -9.424 -2.615 -3.526 1.00 0.32 O ATOM 408 CB ASN A 9 -8.182 -0.266 -1.536 1.00 0.26 C ATOM 409 CG ASN A 9 -8.259 0.386 -2.901 1.00 0.38 C ATOM 410 OD1 ASN A 9 -9.342 0.639 -3.423 1.00 0.53 O ATOM 411 ND2 ASN A 9 -7.109 0.619 -3.506 1.00 0.57 N ATOM 0 H ASN A 9 -8.395 -2.918 -0.075 1.00 0.18 H new ATOM 0 HA ASN A 9 -10.120 -1.200 -1.595 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.472 0.455 -0.772 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -7.151 -0.553 -1.328 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -7.098 1.024 -4.442 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.231 0.394 -3.037 1.00 0.57 H new ATOM 418 N CYS A 10 -7.591 -3.192 -2.376 1.00 0.21 N ATOM 419 CA CYS A 10 -7.141 -4.057 -3.457 1.00 0.28 C ATOM 420 C CYS A 10 -6.982 -5.514 -2.996 1.00 0.22 C ATOM 421 O CYS A 10 -6.463 -6.352 -3.732 1.00 0.31 O ATOM 422 CB CYS A 10 -5.846 -3.502 -4.066 1.00 0.52 C ATOM 423 SG CYS A 10 -4.355 -3.793 -3.090 1.00 0.76 S ATOM 0 H CYS A 10 -7.003 -3.184 -1.543 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.907 -4.066 -4.232 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -5.708 -3.944 -5.053 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -5.962 -2.428 -4.212 1.00 0.52 H new ATOM 428 N GLN A 11 -7.470 -5.785 -1.778 1.00 0.18 N ATOM 429 CA GLN A 11 -7.481 -7.115 -1.144 1.00 0.21 C ATOM 430 C GLN A 11 -6.224 -7.971 -1.363 1.00 0.26 C ATOM 431 O GLN A 11 -6.290 -9.196 -1.262 1.00 0.34 O ATOM 432 CB GLN A 11 -8.730 -7.873 -1.581 1.00 0.24 C ATOM 433 CG GLN A 11 -10.006 -7.352 -0.942 1.00 0.74 C ATOM 434 CD GLN A 11 -11.200 -8.249 -1.200 1.00 1.26 C ATOM 435 OE1 GLN A 11 -11.472 -9.171 -0.433 1.00 1.77 O ATOM 436 NE2 GLN A 11 -11.921 -7.987 -2.277 1.00 1.90 N ATOM 0 H GLN A 11 -7.882 -5.063 -1.186 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.489 -6.926 -0.071 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -8.823 -7.810 -2.665 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.612 -8.928 -1.332 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -9.855 -7.255 0.133 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.218 -6.354 -1.325 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -11.662 -7.213 -2.888 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -12.736 -8.559 -2.497 1.00 1.90 H new ATOM 445 N THR A 12 -5.089 -7.350 -1.658 1.00 0.25 N ATOM 446 CA THR A 12 -3.826 -8.045 -1.583 1.00 0.26 C ATOM 447 C THR A 12 -3.551 -8.381 -0.131 1.00 0.21 C ATOM 448 O THR A 12 -4.052 -7.710 0.780 1.00 0.19 O ATOM 449 CB THR A 12 -2.643 -7.215 -2.144 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.510 -8.067 -2.353 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.245 -6.094 -1.184 1.00 0.24 C ATOM 0 H THR A 12 -5.024 -6.374 -1.948 1.00 0.25 H new ATOM 0 HA THR A 12 -3.905 -8.942 -2.197 1.00 0.26 H new ATOM 0 HB THR A 12 -2.965 -6.772 -3.087 1.00 0.28 H new ATOM 0 HG1 THR A 12 -0.765 -7.539 -2.709 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.413 -5.531 -1.607 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.094 -5.427 -1.031 1.00 0.24 H new ATOM 0 HG23 THR A 12 -1.944 -6.523 -0.228 1.00 0.24 H new ATOM 459 N THR A 13 -2.783 -9.418 0.076 1.00 0.22 N ATOM 460 CA THR A 13 -2.410 -9.832 1.411 1.00 0.23 C ATOM 461 C THR A 13 -0.915 -10.006 1.487 1.00 0.26 C ATOM 462 O THR A 13 -0.354 -10.384 2.517 1.00 0.42 O ATOM 463 CB THR A 13 -3.134 -11.126 1.806 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.019 -12.092 0.752 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.598 -10.833 2.085 1.00 0.28 C ATOM 0 H THR A 13 -2.398 -9.999 -0.669 1.00 0.22 H new ATOM 0 HA THR A 13 -2.712 -9.059 2.118 1.00 0.23 H new ATOM 0 HB THR A 13 -2.675 -11.531 2.708 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.482 -12.916 1.011 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.107 -11.755 2.365 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.676 -10.114 2.900 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.063 -10.419 1.190 1.00 0.28 H new ATOM 473 N THR A 14 -0.284 -9.699 0.378 1.00 0.22 N ATOM 474 CA THR A 14 1.136 -9.743 0.267 1.00 0.26 C ATOM 475 C THR A 14 1.703 -8.357 0.511 1.00 0.23 C ATOM 476 O THR A 14 2.169 -7.682 -0.410 1.00 0.36 O ATOM 477 CB THR A 14 1.519 -10.227 -1.128 1.00 0.38 C ATOM 478 OG1 THR A 14 0.423 -10.962 -1.695 1.00 1.26 O ATOM 479 CG2 THR A 14 2.720 -11.123 -1.049 1.00 1.04 C ATOM 0 H THR A 14 -0.758 -9.409 -0.477 1.00 0.22 H new ATOM 0 HA THR A 14 1.544 -10.431 1.008 1.00 0.26 H new ATOM 0 HB THR A 14 1.752 -9.364 -1.752 1.00 0.38 H new ATOM 0 HG1 THR A 14 0.667 -11.272 -2.592 1.00 1.26 H new ATOM 0 HG21 THR A 14 2.986 -11.464 -2.050 1.00 1.04 H new ATOM 0 HG22 THR A 14 3.557 -10.573 -0.618 1.00 1.04 H new ATOM 0 HG23 THR A 14 2.491 -11.984 -0.421 1.00 1.04 H new ATOM 487 N THR A 15 1.654 -7.935 1.756 1.00 0.17 N ATOM 488 CA THR A 15 2.056 -6.587 2.110 1.00 0.17 C ATOM 489 C THR A 15 2.640 -6.563 3.519 1.00 0.20 C ATOM 490 O THR A 15 2.088 -7.165 4.437 1.00 0.26 O ATOM 491 CB THR A 15 0.892 -5.566 2.000 1.00 0.20 C ATOM 492 OG1 THR A 15 0.286 -5.653 0.705 1.00 0.40 O ATOM 493 CG2 THR A 15 1.420 -4.163 2.211 1.00 0.29 C ATOM 0 H THR A 15 1.340 -8.505 2.542 1.00 0.17 H new ATOM 0 HA THR A 15 2.817 -6.285 1.391 1.00 0.17 H new ATOM 0 HB THR A 15 0.149 -5.795 2.763 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.904 -5.301 0.030 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.599 -3.450 2.133 1.00 0.29 H new ATOM 0 HG22 THR A 15 1.872 -4.089 3.200 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.169 -3.938 1.452 1.00 0.29 H new ATOM 501 N THR A 16 3.772 -5.893 3.678 1.00 0.25 N ATOM 502 CA THR A 16 4.434 -5.820 4.970 1.00 0.31 C ATOM 503 C THR A 16 4.131 -4.491 5.662 1.00 0.25 C ATOM 504 O THR A 16 4.434 -4.302 6.840 1.00 0.30 O ATOM 505 CB THR A 16 5.958 -5.970 4.802 1.00 0.43 C ATOM 506 OG1 THR A 16 6.244 -6.837 3.694 1.00 0.51 O ATOM 507 CG2 THR A 16 6.588 -6.545 6.061 1.00 0.54 C ATOM 0 H THR A 16 4.250 -5.393 2.929 1.00 0.25 H new ATOM 0 HA THR A 16 4.055 -6.635 5.586 1.00 0.31 H new ATOM 0 HB THR A 16 6.378 -4.981 4.617 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.214 -6.927 3.591 1.00 0.51 H new ATOM 0 HG21 THR A 16 7.664 -6.641 5.918 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.392 -5.880 6.902 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.160 -7.526 6.267 1.00 0.54 H new ATOM 515 N LEU A 17 3.508 -3.579 4.927 1.00 0.21 N ATOM 516 CA LEU A 17 3.279 -2.221 5.435 1.00 0.21 C ATOM 517 C LEU A 17 1.792 -1.873 5.403 1.00 0.18 C ATOM 518 O LEU A 17 1.315 -1.196 4.491 1.00 0.29 O ATOM 519 CB LEU A 17 4.088 -1.216 4.604 1.00 0.35 C ATOM 520 CG LEU A 17 4.103 0.222 5.128 1.00 0.45 C ATOM 521 CD1 LEU A 17 4.455 0.243 6.606 1.00 0.79 C ATOM 522 CD2 LEU A 17 5.101 1.062 4.349 1.00 0.76 C ATOM 0 H LEU A 17 3.153 -3.746 3.986 1.00 0.21 H new ATOM 0 HA LEU A 17 3.610 -2.173 6.472 1.00 0.21 H new ATOM 0 HB2 LEU A 17 5.117 -1.570 4.541 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.690 -1.209 3.589 1.00 0.35 H new ATOM 0 HG LEU A 17 3.107 0.645 4.995 1.00 0.45 H new ATOM 0 HD11 LEU A 17 4.462 1.273 6.964 1.00 0.79 H new ATOM 0 HD12 LEU A 17 3.715 -0.331 7.164 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.441 -0.198 6.751 1.00 0.79 H new ATOM 0 HD21 LEU A 17 5.098 2.081 4.735 1.00 0.76 H new ATOM 0 HD22 LEU A 17 6.098 0.636 4.457 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.823 1.072 3.295 1.00 0.76 H new ATOM 534 N TRP A 18 1.069 -2.358 6.401 1.00 0.13 N ATOM 535 CA TRP A 18 -0.357 -2.108 6.509 1.00 0.11 C ATOM 536 C TRP A 18 -0.644 -0.756 7.168 1.00 0.12 C ATOM 537 O TRP A 18 -0.645 -0.629 8.393 1.00 0.18 O ATOM 538 CB TRP A 18 -1.048 -3.243 7.274 1.00 0.11 C ATOM 539 CG TRP A 18 -0.925 -4.576 6.596 1.00 0.10 C ATOM 540 CD1 TRP A 18 -0.029 -5.556 6.879 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.735 -5.082 5.518 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.231 -6.627 6.067 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.265 -6.369 5.223 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.808 -4.579 4.779 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.821 -7.166 4.231 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.372 -5.366 3.795 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.887 -6.645 3.525 1.00 0.08 C ATOM 0 H TRP A 18 1.452 -2.931 7.153 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.764 -2.073 5.498 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.620 -3.311 8.274 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.104 -3.000 7.395 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.735 -5.493 7.640 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.310 -7.491 6.088 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.191 -3.588 4.975 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.435 -8.153 4.020 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.205 -4.984 3.223 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.353 -7.238 2.751 1.00 0.08 H new ATOM 558 N ARG A 19 -0.886 0.245 6.331 1.00 0.12 N ATOM 559 CA ARG A 19 -1.277 1.595 6.790 1.00 0.13 C ATOM 560 C ARG A 19 -2.793 1.666 6.966 1.00 0.13 C ATOM 561 O ARG A 19 -3.503 0.719 6.635 1.00 0.15 O ATOM 562 CB ARG A 19 -0.798 2.655 5.778 1.00 0.19 C ATOM 563 CG ARG A 19 0.159 2.078 4.750 1.00 0.28 C ATOM 564 CD ARG A 19 1.014 3.146 4.095 1.00 0.29 C ATOM 565 NE ARG A 19 1.959 3.711 5.052 1.00 0.61 N ATOM 566 CZ ARG A 19 1.964 4.979 5.444 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.070 5.839 4.964 1.00 2.03 N ATOM 568 NH2 ARG A 19 2.873 5.396 6.311 1.00 1.09 N ATOM 0 H ARG A 19 -0.820 0.157 5.317 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.806 1.797 7.752 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.661 3.083 5.268 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.307 3.469 6.312 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.805 1.343 5.231 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.409 1.550 3.984 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.556 2.718 3.251 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.376 3.935 3.697 1.00 0.29 H new ATOM 0 HE ARG A 19 2.664 3.089 5.447 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.373 5.526 4.289 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.082 6.812 5.271 1.00 2.03 H new ATOM 0 HH21 ARG A 19 3.567 4.744 6.676 1.00 1.09 H new ATOM 0 HH22 ARG A 19 2.880 6.370 6.614 1.00 1.09 H new ATOM 582 N ARG A 20 -3.286 2.772 7.514 1.00 0.15 N ATOM 583 CA ARG A 20 -4.718 2.925 7.749 1.00 0.17 C ATOM 584 C ARG A 20 -5.307 3.988 6.821 1.00 0.19 C ATOM 585 O ARG A 20 -4.638 4.961 6.464 1.00 0.25 O ATOM 586 CB ARG A 20 -5.004 3.260 9.231 1.00 0.28 C ATOM 587 CG ARG A 20 -5.243 4.741 9.552 1.00 1.13 C ATOM 588 CD ARG A 20 -5.487 4.947 11.037 1.00 1.98 C ATOM 589 NE ARG A 20 -4.331 5.542 11.710 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.340 6.745 12.292 1.00 3.24 C ATOM 591 NH1 ARG A 20 -5.435 7.496 12.265 1.00 3.59 N ATOM 592 NH2 ARG A 20 -3.250 7.198 12.896 1.00 3.90 N ATOM 0 H ARG A 20 -2.720 3.570 7.802 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.202 1.975 7.525 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -5.880 2.694 9.548 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -4.164 2.910 9.831 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.380 5.328 9.237 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -6.100 5.105 8.986 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.356 5.590 11.175 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -5.722 3.989 11.501 1.00 1.98 H new ATOM 0 HE ARG A 20 -3.464 5.005 11.736 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -6.276 7.155 11.798 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -5.435 8.413 12.711 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -2.404 6.628 12.917 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.257 8.116 13.340 1.00 3.90 H new ATOM 606 N ASN A 21 -6.557 3.785 6.436 1.00 0.18 N ATOM 607 CA ASN A 21 -7.245 4.706 5.519 1.00 0.18 C ATOM 608 C ASN A 21 -8.124 5.672 6.329 1.00 0.17 C ATOM 609 O ASN A 21 -8.034 5.660 7.551 1.00 0.17 O ATOM 610 CB ASN A 21 -8.091 3.966 4.445 1.00 0.19 C ATOM 611 CG ASN A 21 -9.448 3.449 4.930 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.841 3.633 6.081 1.00 0.18 O ATOM 613 ND2 ASN A 21 -10.179 2.774 4.051 1.00 0.20 N ATOM 0 H ASN A 21 -7.124 2.993 6.739 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.481 5.264 4.977 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.256 4.642 3.606 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.513 3.123 4.067 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -11.086 2.396 4.325 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.834 2.633 3.102 1.00 0.20 H new ATOM 620 N ALA A 22 -9.016 6.442 5.675 1.00 0.19 N ATOM 621 CA ALA A 22 -9.803 7.487 6.351 1.00 0.24 C ATOM 622 C ALA A 22 -10.622 6.968 7.539 1.00 0.26 C ATOM 623 O ALA A 22 -10.885 7.709 8.489 1.00 0.36 O ATOM 624 CB ALA A 22 -10.733 8.153 5.355 1.00 0.29 C ATOM 0 H ALA A 22 -9.208 6.358 4.677 1.00 0.19 H new ATOM 0 HA ALA A 22 -9.084 8.202 6.751 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.313 8.926 5.859 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -10.146 8.604 4.555 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.409 7.408 4.934 1.00 0.29 H new ATOM 630 N ASN A 23 -11.007 5.700 7.497 1.00 0.25 N ATOM 631 CA ASN A 23 -11.835 5.108 8.536 1.00 0.33 C ATOM 632 C ASN A 23 -10.919 4.436 9.529 1.00 0.24 C ATOM 633 O ASN A 23 -11.323 3.968 10.592 1.00 0.35 O ATOM 634 CB ASN A 23 -12.779 4.070 7.932 1.00 0.51 C ATOM 635 CG ASN A 23 -13.865 3.626 8.918 1.00 0.85 C ATOM 636 OD1 ASN A 23 -14.183 4.355 9.858 1.00 1.16 O ATOM 637 ND2 ASN A 23 -14.486 2.464 8.699 1.00 1.61 N ATOM 0 H ASN A 23 -10.756 5.057 6.746 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.434 5.879 9.021 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.249 4.485 7.040 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.203 3.201 7.614 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -15.240 2.165 9.317 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -14.206 1.876 7.914 1.00 1.61 H new ATOM 644 N GLY A 24 -9.662 4.424 9.150 1.00 0.17 N ATOM 645 CA GLY A 24 -8.660 3.694 9.871 1.00 0.20 C ATOM 646 C GLY A 24 -8.647 2.255 9.439 1.00 0.18 C ATOM 647 O GLY A 24 -8.295 1.356 10.205 1.00 0.22 O ATOM 0 H GLY A 24 -9.311 4.922 8.332 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.681 4.141 9.698 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -8.855 3.757 10.942 1.00 0.20 H new ATOM 651 N ASP A 25 -9.029 2.048 8.194 1.00 0.15 N ATOM 652 CA ASP A 25 -9.118 0.705 7.643 1.00 0.16 C ATOM 653 C ASP A 25 -7.790 0.338 7.009 1.00 0.16 C ATOM 654 O ASP A 25 -7.148 1.162 6.363 1.00 0.26 O ATOM 655 CB ASP A 25 -10.241 0.578 6.609 1.00 0.20 C ATOM 656 CG ASP A 25 -11.049 -0.698 6.754 1.00 0.63 C ATOM 657 OD1 ASP A 25 -10.654 -1.724 6.158 1.00 1.27 O ATOM 658 OD2 ASP A 25 -12.059 -0.699 7.483 1.00 0.71 O ATOM 0 H ASP A 25 -9.283 2.791 7.543 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.351 0.021 8.459 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.908 1.435 6.701 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.810 0.615 5.608 1.00 0.20 H new ATOM 663 N PRO A 26 -7.374 -0.900 7.215 1.00 0.11 N ATOM 664 CA PRO A 26 -6.074 -1.411 6.777 1.00 0.10 C ATOM 665 C PRO A 26 -5.889 -1.368 5.265 1.00 0.08 C ATOM 666 O PRO A 26 -6.755 -1.800 4.510 1.00 0.11 O ATOM 667 CB PRO A 26 -6.064 -2.863 7.272 1.00 0.14 C ATOM 668 CG PRO A 26 -7.490 -3.200 7.546 1.00 0.21 C ATOM 669 CD PRO A 26 -8.166 -1.900 7.912 1.00 0.21 C ATOM 0 HA PRO A 26 -5.261 -0.802 7.173 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.640 -3.531 6.522 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.456 -2.967 8.171 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -7.959 -3.650 6.671 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.570 -3.923 8.358 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.207 -1.884 7.590 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.163 -1.735 8.989 1.00 0.21 H new ATOM 677 N VAL A 27 -4.737 -0.888 4.830 1.00 0.07 N ATOM 678 CA VAL A 27 -4.439 -0.805 3.399 1.00 0.08 C ATOM 679 C VAL A 27 -3.006 -1.211 3.169 1.00 0.10 C ATOM 680 O VAL A 27 -2.149 -1.016 4.030 1.00 0.11 O ATOM 681 CB VAL A 27 -4.676 0.595 2.742 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.087 0.740 2.211 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.402 1.752 3.680 1.00 0.12 C ATOM 0 H VAL A 27 -3.992 -0.550 5.439 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.147 -1.480 2.918 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.961 0.637 1.920 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.208 1.727 1.764 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.273 -0.025 1.458 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.797 0.623 3.029 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.586 2.693 3.161 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -5.059 1.681 4.547 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.363 1.716 4.009 1.00 0.12 H new ATOM 693 N CYS A 28 -2.749 -1.782 2.008 1.00 0.12 N ATOM 694 CA CYS A 28 -1.424 -2.230 1.671 1.00 0.15 C ATOM 695 C CYS A 28 -0.573 -0.978 1.426 1.00 0.13 C ATOM 696 O CYS A 28 -1.149 0.106 1.278 1.00 0.15 O ATOM 697 CB CYS A 28 -1.537 -3.110 0.428 1.00 0.19 C ATOM 698 SG CYS A 28 -1.673 -2.181 -1.100 1.00 0.22 S ATOM 0 H CYS A 28 -3.448 -1.944 1.283 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.955 -2.818 2.460 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.663 -3.759 0.372 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.409 -3.757 0.529 1.00 0.19 H new ATOM 703 N ASN A 29 0.761 -1.088 1.368 1.00 0.13 N ATOM 704 CA ASN A 29 1.595 0.099 1.293 1.00 0.17 C ATOM 705 C ASN A 29 1.172 0.995 0.162 1.00 0.15 C ATOM 706 O ASN A 29 1.030 2.180 0.360 1.00 0.16 O ATOM 707 CB ASN A 29 3.095 -0.272 1.166 1.00 0.27 C ATOM 708 CG ASN A 29 3.788 0.382 -0.029 1.00 0.70 C ATOM 709 OD1 ASN A 29 3.977 1.712 -0.018 1.00 1.52 O flip ATOM 710 ND2 ASN A 29 4.104 -0.305 -0.997 1.00 0.40 N flip ATOM 0 H ASN A 29 1.269 -1.972 1.372 1.00 0.13 H new ATOM 0 HA ASN A 29 1.462 0.648 2.225 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.612 0.021 2.080 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.187 -1.355 1.081 1.00 0.27 H new ATOM 0 HD21 ASN A 29 3.950 -1.313 -0.979 1.00 0.40 H new ATOM 0 HD22 ASN A 29 4.521 0.133 -1.819 1.00 0.40 H new ATOM 717 N ALA A 30 0.965 0.435 -0.999 1.00 0.17 N ATOM 718 CA ALA A 30 0.547 1.228 -2.149 1.00 0.18 C ATOM 719 C ALA A 30 -0.707 2.058 -1.872 1.00 0.20 C ATOM 720 O ALA A 30 -0.732 3.246 -2.162 1.00 0.19 O ATOM 721 CB ALA A 30 0.311 0.371 -3.360 1.00 0.21 C ATOM 0 H ALA A 30 1.075 -0.562 -1.185 1.00 0.17 H new ATOM 0 HA ALA A 30 1.373 1.912 -2.345 1.00 0.18 H new ATOM 0 HB1 ALA A 30 0.001 0.999 -4.195 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.231 -0.152 -3.621 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.471 -0.357 -3.144 1.00 0.21 H new ATOM 727 N CYS A 31 -1.743 1.445 -1.309 1.00 0.26 N ATOM 728 CA CYS A 31 -3.010 2.154 -1.117 1.00 0.30 C ATOM 729 C CYS A 31 -2.952 3.093 0.090 1.00 0.32 C ATOM 730 O CYS A 31 -3.672 4.086 0.135 1.00 0.41 O ATOM 731 CB CYS A 31 -4.195 1.184 -1.038 1.00 0.34 C ATOM 732 SG CYS A 31 -4.320 0.020 -2.438 1.00 0.39 S ATOM 0 H CYS A 31 -1.736 0.479 -0.982 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.171 2.778 -1.996 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -4.118 0.612 -0.113 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -5.117 1.762 -0.980 1.00 0.34 H new ATOM 737 N GLY A 32 -2.085 2.794 1.052 1.00 0.28 N ATOM 738 CA GLY A 32 -1.833 3.747 2.133 1.00 0.29 C ATOM 739 C GLY A 32 -0.841 4.823 1.728 1.00 0.30 C ATOM 740 O GLY A 32 -0.915 5.948 2.196 1.00 0.46 O ATOM 0 H GLY A 32 -1.556 1.924 1.109 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.772 4.214 2.430 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.453 3.214 3.004 1.00 0.29 H new ATOM 744 N LEU A 33 0.095 4.470 0.863 1.00 0.19 N ATOM 745 CA LEU A 33 1.093 5.415 0.373 1.00 0.16 C ATOM 746 C LEU A 33 0.420 6.389 -0.554 1.00 0.14 C ATOM 747 O LEU A 33 0.602 7.598 -0.438 1.00 0.15 O ATOM 748 CB LEU A 33 2.235 4.688 -0.359 1.00 0.16 C ATOM 749 CG LEU A 33 3.415 5.532 -0.830 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.721 4.763 -0.695 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.226 5.890 -2.278 1.00 0.54 C ATOM 0 H LEU A 33 0.187 3.529 0.481 1.00 0.19 H new ATOM 0 HA LEU A 33 1.529 5.944 1.220 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.619 3.911 0.303 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.812 4.185 -1.229 1.00 0.16 H new ATOM 0 HG LEU A 33 3.460 6.429 -0.212 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.547 5.386 -1.037 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.878 4.493 0.349 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.674 3.858 -1.300 1.00 0.48 H new ATOM 0 HD21 LEU A 33 4.068 6.493 -2.617 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.170 4.979 -2.874 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.303 6.458 -2.395 1.00 0.54 H new ATOM 763 N TYR A 34 -0.405 5.861 -1.451 1.00 0.14 N ATOM 764 CA TYR A 34 -0.977 6.672 -2.474 1.00 0.16 C ATOM 765 C TYR A 34 -1.964 7.664 -1.889 1.00 0.13 C ATOM 766 O TYR A 34 -1.977 8.843 -2.253 1.00 0.15 O ATOM 767 CB TYR A 34 -1.654 5.781 -3.511 1.00 0.24 C ATOM 768 CG TYR A 34 -2.280 6.501 -4.669 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.525 7.077 -4.530 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.616 6.634 -5.878 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.105 7.771 -5.565 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.190 7.325 -6.928 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.431 7.764 -6.846 1.00 0.36 C ATOM 774 OH TYR A 34 -4.016 8.584 -7.797 1.00 0.44 O ATOM 0 H TYR A 34 -0.680 4.879 -1.476 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.185 7.242 -2.958 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.916 5.078 -3.898 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.424 5.192 -3.012 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.053 6.981 -3.593 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.638 6.192 -6.001 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.034 8.304 -5.427 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.617 7.507 -7.825 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.508 8.529 -8.633 1.00 0.44 H new ATOM 784 N TYR A 35 -2.786 7.173 -0.982 1.00 0.14 N ATOM 785 CA TYR A 35 -3.777 7.997 -0.311 1.00 0.17 C ATOM 786 C TYR A 35 -3.130 9.133 0.459 1.00 0.16 C ATOM 787 O TYR A 35 -3.741 10.179 0.670 1.00 0.20 O ATOM 788 CB TYR A 35 -4.606 7.129 0.630 1.00 0.24 C ATOM 789 CG TYR A 35 -5.647 7.879 1.405 1.00 0.30 C ATOM 790 CD1 TYR A 35 -6.803 8.315 0.796 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.468 8.151 2.738 1.00 0.50 C ATOM 792 CE1 TYR A 35 -7.750 9.008 1.501 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.397 8.834 3.464 1.00 0.57 C ATOM 794 CZ TYR A 35 -7.580 9.247 2.827 1.00 0.45 C ATOM 795 OH TYR A 35 -8.497 9.969 3.561 1.00 0.57 O ATOM 0 H TYR A 35 -2.787 6.196 -0.689 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.423 8.440 -1.069 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.096 6.348 0.048 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -3.936 6.632 1.331 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -6.964 8.107 -0.251 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.565 7.814 3.226 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -8.637 9.367 1.000 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.228 9.054 4.508 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.196 10.030 4.492 1.00 0.57 H new ATOM 805 N LYS A 36 -1.890 8.949 0.859 1.00 0.15 N ATOM 806 CA LYS A 36 -1.212 9.968 1.624 1.00 0.21 C ATOM 807 C LYS A 36 -0.774 11.089 0.720 1.00 0.22 C ATOM 808 O LYS A 36 -0.798 12.264 1.088 1.00 0.32 O ATOM 809 CB LYS A 36 -0.007 9.389 2.332 1.00 0.28 C ATOM 810 CG LYS A 36 -0.313 9.003 3.764 1.00 0.38 C ATOM 811 CD LYS A 36 -1.573 8.158 3.894 1.00 0.50 C ATOM 812 CE LYS A 36 -1.953 7.927 5.348 1.00 0.84 C ATOM 813 NZ LYS A 36 -2.350 9.186 6.034 1.00 1.23 N ATOM 0 H LYS A 36 -1.338 8.113 0.669 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.907 10.355 2.369 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.344 8.512 1.789 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.804 10.117 2.320 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.532 8.451 4.175 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.425 9.907 4.363 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.396 8.652 3.378 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.418 7.198 3.402 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -2.776 7.214 5.397 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -1.111 7.479 5.875 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -2.851 8.958 6.916 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -1.501 9.745 6.253 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -2.976 9.737 5.413 1.00 1.23 H new ATOM 827 N LEU A 37 -0.371 10.703 -0.468 1.00 0.20 N ATOM 828 CA LEU A 37 0.087 11.649 -1.453 1.00 0.24 C ATOM 829 C LEU A 37 -1.089 12.417 -2.031 1.00 0.25 C ATOM 830 O LEU A 37 -1.017 13.624 -2.252 1.00 0.31 O ATOM 831 CB LEU A 37 0.799 10.927 -2.602 1.00 0.29 C ATOM 832 CG LEU A 37 1.649 9.734 -2.202 1.00 0.49 C ATOM 833 CD1 LEU A 37 1.992 8.895 -3.418 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.923 10.170 -1.509 1.00 0.67 C ATOM 0 H LEU A 37 -0.352 9.731 -0.776 1.00 0.20 H new ATOM 0 HA LEU A 37 0.778 12.334 -0.961 1.00 0.24 H new ATOM 0 HB2 LEU A 37 0.048 10.592 -3.317 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.434 11.645 -3.120 1.00 0.29 H new ATOM 0 HG LEU A 37 1.065 9.135 -1.503 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.601 8.044 -3.113 1.00 1.19 H new ATOM 0 HD12 LEU A 37 1.074 8.536 -3.883 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.547 9.501 -4.133 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.508 9.292 -1.236 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.506 10.799 -2.181 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.674 10.733 -0.610 1.00 0.67 H new ATOM 846 N HIS A 38 -2.180 11.697 -2.274 1.00 0.23 N ATOM 847 CA HIS A 38 -3.231 12.186 -3.158 1.00 0.28 C ATOM 848 C HIS A 38 -4.606 12.300 -2.500 1.00 0.30 C ATOM 849 O HIS A 38 -5.559 12.724 -3.155 1.00 0.37 O ATOM 850 CB HIS A 38 -3.302 11.271 -4.380 1.00 0.29 C ATOM 851 CG HIS A 38 -2.081 11.373 -5.248 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.725 10.421 -6.176 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.103 12.308 -5.284 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.579 10.765 -6.738 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.185 11.907 -6.216 1.00 0.69 N ATOM 0 H HIS A 38 -2.358 10.776 -1.873 1.00 0.23 H new ATOM 0 HA HIS A 38 -2.964 13.205 -3.439 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.424 10.239 -4.050 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.184 11.524 -4.968 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.261 9.582 -6.396 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.056 13.206 -4.686 1.00 1.02 H new ATOM 0 HE1 HIS A 38 -0.055 10.204 -7.497 1.00 0.77 H new ATOM 864 N ASN A 39 -4.711 11.909 -1.228 1.00 0.26 N ATOM 865 CA ASN A 39 -5.984 12.004 -0.476 1.00 0.30 C ATOM 866 C ASN A 39 -7.016 11.032 -1.007 1.00 0.32 C ATOM 867 O ASN A 39 -8.203 11.152 -0.705 1.00 0.40 O ATOM 868 CB ASN A 39 -6.590 13.391 -0.582 1.00 0.39 C ATOM 869 CG ASN A 39 -5.868 14.483 0.210 1.00 1.01 C ATOM 870 OD1 ASN A 39 -5.815 15.630 -0.237 1.00 1.57 O ATOM 871 ND2 ASN A 39 -5.342 14.176 1.398 1.00 1.87 N ATOM 0 H ASN A 39 -3.936 11.523 -0.689 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.736 11.772 0.560 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -6.611 13.681 -1.633 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.625 13.344 -0.244 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -4.885 14.898 1.955 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -5.397 13.220 1.749 1.00 1.87 H new ATOM 878 N VAL A 40 -6.575 10.081 -1.797 1.00 0.30 N ATOM 879 CA VAL A 40 -7.486 9.093 -2.357 1.00 0.38 C ATOM 880 C VAL A 40 -6.823 7.750 -2.430 1.00 0.37 C ATOM 881 O VAL A 40 -5.601 7.657 -2.477 1.00 0.30 O ATOM 882 CB VAL A 40 -8.031 9.444 -3.761 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.326 10.208 -3.657 1.00 0.59 C ATOM 884 CG2 VAL A 40 -7.042 10.241 -4.584 1.00 0.42 C ATOM 0 H VAL A 40 -5.599 9.965 -2.069 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.337 9.081 -1.676 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.203 8.496 -4.270 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.691 10.444 -4.657 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.066 9.601 -3.135 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -9.160 11.132 -3.104 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.475 10.461 -5.560 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.811 11.175 -4.071 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.127 9.662 -4.714 1.00 0.42 H new ATOM 894 N ASN A 41 -7.634 6.715 -2.452 1.00 0.50 N ATOM 895 CA ASN A 41 -7.122 5.369 -2.476 1.00 0.55 C ATOM 896 C ASN A 41 -6.503 5.102 -3.828 1.00 0.44 C ATOM 897 O ASN A 41 -6.806 5.797 -4.800 1.00 0.43 O ATOM 898 CB ASN A 41 -8.223 4.354 -2.184 1.00 0.78 C ATOM 899 CG ASN A 41 -9.530 4.692 -2.859 1.00 1.16 C ATOM 900 OD1 ASN A 41 -9.748 4.386 -4.032 1.00 1.73 O ATOM 901 ND2 ASN A 41 -10.418 5.304 -2.103 1.00 1.16 N ATOM 0 H ASN A 41 -8.652 6.783 -2.454 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.366 5.264 -1.698 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -7.896 3.367 -2.511 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.381 4.297 -1.107 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -11.333 5.545 -2.484 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.191 5.537 -1.136 1.00 1.16 H new ATOM 908 N ARG A 42 -5.652 4.098 -3.895 1.00 0.46 N ATOM 909 CA ARG A 42 -4.879 3.863 -5.099 1.00 0.39 C ATOM 910 C ARG A 42 -5.687 3.056 -6.096 1.00 0.45 C ATOM 911 O ARG A 42 -6.031 1.907 -5.813 1.00 0.51 O ATOM 912 CB ARG A 42 -3.567 3.137 -4.792 1.00 0.48 C ATOM 913 CG ARG A 42 -2.684 2.987 -6.022 1.00 1.13 C ATOM 914 CD ARG A 42 -1.319 2.426 -5.677 1.00 1.57 C ATOM 915 NE ARG A 42 -0.466 2.309 -6.860 1.00 2.08 N ATOM 916 CZ ARG A 42 0.866 2.406 -6.844 1.00 2.71 C ATOM 917 NH1 ARG A 42 1.513 2.645 -5.707 1.00 3.32 N ATOM 918 NH2 ARG A 42 1.548 2.275 -7.975 1.00 3.14 N ATOM 0 H ARG A 42 -5.479 3.437 -3.138 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.638 4.835 -5.529 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.023 3.685 -4.023 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.788 2.150 -4.384 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -3.174 2.331 -6.742 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -2.566 3.958 -6.504 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -0.836 3.071 -4.943 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -1.435 1.446 -5.214 1.00 1.57 H new ATOM 0 HE ARG A 42 -0.920 2.142 -7.758 1.00 2.08 H new ATOM 0 HH11 ARG A 42 0.992 2.756 -4.837 1.00 3.32 H new ATOM 0 HH12 ARG A 42 2.530 2.717 -5.705 1.00 3.32 H new ATOM 0 HH21 ARG A 42 1.055 2.101 -8.851 1.00 3.14 H new ATOM 0 HH22 ARG A 42 2.565 2.348 -7.968 1.00 3.14 H new ATOM 932 N PRO A 43 -6.040 3.649 -7.254 1.00 0.53 N ATOM 933 CA PRO A 43 -6.659 2.898 -8.345 1.00 0.67 C ATOM 934 C PRO A 43 -5.808 1.699 -8.714 1.00 0.66 C ATOM 935 O PRO A 43 -4.673 1.840 -9.172 1.00 0.68 O ATOM 936 CB PRO A 43 -6.704 3.914 -9.483 1.00 0.80 C ATOM 937 CG PRO A 43 -6.794 5.218 -8.786 1.00 0.73 C ATOM 938 CD PRO A 43 -5.904 5.082 -7.589 1.00 0.55 C ATOM 0 HA PRO A 43 -7.642 2.498 -8.095 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -5.813 3.855 -10.108 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -7.562 3.748 -10.134 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -6.466 6.033 -9.431 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -7.820 5.438 -8.492 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -4.872 5.350 -7.817 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.226 5.723 -6.769 1.00 0.55 H new ATOM 946 N LEU A 44 -6.380 0.531 -8.525 1.00 0.72 N ATOM 947 CA LEU A 44 -5.648 -0.710 -8.579 1.00 0.73 C ATOM 948 C LEU A 44 -6.633 -1.836 -8.825 1.00 1.12 C ATOM 949 O LEU A 44 -7.592 -1.671 -9.585 1.00 1.52 O ATOM 950 CB LEU A 44 -4.933 -0.910 -7.231 1.00 0.81 C ATOM 951 CG LEU A 44 -3.439 -1.269 -7.293 1.00 0.88 C ATOM 952 CD1 LEU A 44 -2.687 -0.355 -8.249 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.820 -1.181 -5.905 1.00 0.84 C ATOM 0 H LEU A 44 -7.374 0.417 -8.328 1.00 0.72 H new ATOM 0 HA LEU A 44 -4.909 -0.697 -9.380 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -5.040 0.005 -6.649 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -5.451 -1.698 -6.684 1.00 0.81 H new ATOM 0 HG LEU A 44 -3.358 -2.291 -7.664 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -1.634 -0.636 -8.269 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -3.107 -0.451 -9.250 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -2.780 0.678 -7.914 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -1.762 -1.437 -5.961 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.928 -0.166 -5.522 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -3.327 -1.877 -5.236 1.00 0.84 H new ATOM 965 N THR A 45 -6.377 -2.973 -8.191 1.00 1.43 N ATOM 966 CA THR A 45 -7.333 -4.071 -8.105 1.00 1.89 C ATOM 967 C THR A 45 -7.366 -4.908 -9.375 1.00 2.49 C ATOM 968 O THR A 45 -7.266 -6.134 -9.338 1.00 3.12 O ATOM 969 CB THR A 45 -8.755 -3.552 -7.785 1.00 2.47 C ATOM 970 OG1 THR A 45 -8.686 -2.467 -6.843 1.00 2.85 O ATOM 971 CG2 THR A 45 -9.590 -4.655 -7.179 1.00 3.21 C ATOM 0 H THR A 45 -5.493 -3.161 -7.718 1.00 1.43 H new ATOM 0 HA THR A 45 -6.994 -4.710 -7.289 1.00 1.89 H new ATOM 0 HB THR A 45 -9.209 -3.211 -8.715 1.00 2.47 H new ATOM 0 HG1 THR A 45 -9.591 -2.145 -6.648 1.00 2.85 H new ATOM 0 HG21 THR A 45 -10.588 -4.276 -6.959 1.00 3.21 H new ATOM 0 HG22 THR A 45 -9.664 -5.484 -7.883 1.00 3.21 H new ATOM 0 HG23 THR A 45 -9.122 -5.002 -6.258 1.00 3.21 H new ATOM 979 N MET A 46 -7.503 -4.229 -10.478 1.00 3.01 N ATOM 980 CA MET A 46 -7.587 -4.853 -11.781 1.00 4.06 C ATOM 981 C MET A 46 -7.307 -3.793 -12.836 1.00 4.82 C ATOM 982 O MET A 46 -7.287 -2.604 -12.520 1.00 5.29 O ATOM 983 CB MET A 46 -8.983 -5.474 -11.959 1.00 4.43 C ATOM 984 CG MET A 46 -9.255 -6.051 -13.340 1.00 5.26 C ATOM 985 SD MET A 46 -8.004 -7.234 -13.866 1.00 5.98 S ATOM 986 CE MET A 46 -8.599 -7.598 -15.515 1.00 6.47 C ATOM 0 H MET A 46 -7.561 -3.211 -10.505 1.00 3.01 H new ATOM 0 HA MET A 46 -6.853 -5.652 -11.882 1.00 4.06 H new ATOM 0 HB2 MET A 46 -9.110 -6.264 -11.219 1.00 4.43 H new ATOM 0 HB3 MET A 46 -9.733 -4.713 -11.745 1.00 4.43 H new ATOM 0 HG2 MET A 46 -10.230 -6.538 -13.339 1.00 5.26 H new ATOM 0 HG3 MET A 46 -9.306 -5.238 -14.064 1.00 5.26 H new ATOM 0 HE1 MET A 46 -7.936 -8.321 -15.990 1.00 6.47 H new ATOM 0 HE2 MET A 46 -9.605 -8.013 -15.455 1.00 6.47 H new ATOM 0 HE3 MET A 46 -8.619 -6.682 -16.105 1.00 6.47 H new ATOM 996 N LYS A 47 -7.054 -4.216 -14.064 1.00 5.35 N ATOM 997 CA LYS A 47 -6.839 -3.285 -15.161 1.00 6.39 C ATOM 998 C LYS A 47 -8.161 -2.630 -15.550 1.00 6.45 C ATOM 999 O LYS A 47 -8.759 -2.967 -16.572 1.00 7.14 O ATOM 1000 CB LYS A 47 -6.211 -4.009 -16.354 1.00 7.52 C ATOM 1001 CG LYS A 47 -4.872 -4.651 -16.023 1.00 8.31 C ATOM 1002 CD LYS A 47 -4.244 -5.318 -17.235 1.00 9.24 C ATOM 1003 CE LYS A 47 -5.085 -6.478 -17.747 1.00 10.03 C ATOM 1004 NZ LYS A 47 -4.416 -7.191 -18.864 1.00 10.60 N ATOM 0 H LYS A 47 -6.992 -5.200 -14.327 1.00 5.35 H new ATOM 0 HA LYS A 47 -6.149 -2.504 -14.841 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -6.898 -4.777 -16.708 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -6.076 -3.301 -17.171 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -4.193 -3.892 -15.634 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -5.010 -5.390 -15.234 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -4.119 -4.582 -18.030 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -3.249 -5.679 -16.975 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -5.276 -7.176 -16.932 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -6.053 -6.106 -18.081 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -5.019 -7.975 -19.186 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -4.256 -6.531 -19.651 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -3.503 -7.568 -18.538 1.00 10.60 H new ATOM 1018 N LYS A 48 -8.591 -1.693 -14.707 1.00 6.06 N ATOM 1019 CA LYS A 48 -9.874 -1.005 -14.846 1.00 6.40 C ATOM 1020 C LYS A 48 -11.046 -1.987 -14.802 1.00 6.04 C ATOM 1021 O LYS A 48 -11.557 -2.402 -15.844 1.00 6.58 O ATOM 1022 CB LYS A 48 -9.912 -0.190 -16.144 1.00 7.59 C ATOM 1023 CG LYS A 48 -8.811 0.853 -16.242 1.00 8.29 C ATOM 1024 CD LYS A 48 -8.916 1.883 -15.131 1.00 9.18 C ATOM 1025 CE LYS A 48 -7.841 2.952 -15.255 1.00 9.92 C ATOM 1026 NZ LYS A 48 -6.472 2.386 -15.138 1.00 10.22 N ATOM 0 H LYS A 48 -8.051 -1.386 -13.898 1.00 6.06 H new ATOM 0 HA LYS A 48 -9.975 -0.325 -14.000 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -9.833 -0.870 -16.992 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -10.879 0.307 -16.223 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -7.839 0.362 -16.193 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -8.868 1.353 -17.209 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -9.900 2.351 -15.160 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -8.827 1.387 -14.165 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -7.943 3.458 -16.215 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -7.989 3.705 -14.481 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -5.782 3.160 -15.058 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -6.416 1.784 -14.292 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -6.258 1.817 -15.982 1.00 10.22 H new ATOM 1040 N GLU A 49 -11.473 -2.365 -13.598 1.00 5.38 N ATOM 1041 CA GLU A 49 -12.619 -3.244 -13.454 1.00 5.42 C ATOM 1042 C GLU A 49 -13.793 -2.479 -12.865 1.00 5.55 C ATOM 1043 O GLU A 49 -13.718 -2.083 -11.682 1.00 5.89 O ATOM 1044 CB GLU A 49 -12.273 -4.449 -12.583 1.00 5.41 C ATOM 1045 CG GLU A 49 -13.397 -5.465 -12.478 1.00 5.86 C ATOM 1046 CD GLU A 49 -12.964 -6.740 -11.792 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -13.021 -6.802 -10.544 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -12.569 -7.691 -12.495 1.00 6.85 O ATOM 1049 OXT GLU A 49 -14.788 -2.274 -13.589 1.00 5.74 O ATOM 0 H GLU A 49 -11.043 -2.076 -12.719 1.00 5.38 H new ATOM 0 HA GLU A 49 -12.899 -3.611 -14.441 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -11.388 -4.939 -12.990 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -12.014 -4.102 -11.583 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -14.229 -5.025 -11.928 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -13.764 -5.701 -13.477 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.887 -2.078 -1.628 1.00 0.29 ZN