USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 834 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 97 ASN : amide:sc= 0.707 K(o=1.5,f=-1.8!) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.807 K(o=1.5,f=-0.35) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.0955 K(o=0.053,f=-3.1!) USER MOD Set 2.2: A 16 LYS NZ :NH3+ -174:sc= -0.0422 (180deg=-0.309) USER MOD Set 3.1: A 9 HIS : no HE2:sc= -2.06! C(o=-2!,f=-4.6!) USER MOD Set 3.2: A 20 SER OG : rot -73:sc= 0.0977 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -108:sc= 1.33 (180deg=-0.313) USER MOD Set 4.2: A 69 TYR OH : rot 30:sc= 0.163 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.085 (180deg=-0.51) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0329) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.0996 K(o=0.1,f=-7.2!) USER MOD Single : A 25 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.51) USER MOD Single : A 27 TYR OH : rot 163:sc= 1.15 USER MOD Single : A 28 CYS SG : rot -70:sc= 0.776 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 35 MET CE :methyl -142:sc= -0.555 (180deg=-4.47!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 75:sc= -0.204 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 96:sc= 0.0257 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 13:sc= 0.277 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc=-0.00586 (180deg=-0.126) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0.0314 (180deg=0.0208) USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= 1.25 (180deg=-0.777) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.026) USER MOD Single : A 74 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.0076) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 2.24 (180deg=-0.778) USER MOD Single : A 81 SER OG : rot -178:sc= 1.36 USER MOD Single : A 84 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.5) USER MOD Single : A 86 TYR OH : rot 26:sc= 1.2 USER MOD Single : A 89 GLN : amide:sc= -0.0221 K(o=-0.022,f=-2) USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= 0.0852 (180deg=-0.423!) USER MOD Single : A 96 MET CE :methyl -147:sc= -0.794 (180deg=-2.7) USER MOD Single : A 98 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 104 SER OG : rot 76:sc= 1.19 USER MOD Single : A 105 SER OG : rot 91:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.526 -14.208 -16.544 1.00 1.74 N ATOM 2 CA MET A 1 -9.474 -12.775 -16.937 1.00 1.02 C ATOM 3 C MET A 1 -9.542 -11.898 -15.687 1.00 0.87 C ATOM 4 O MET A 1 -10.416 -12.081 -14.833 1.00 1.29 O ATOM 5 CB MET A 1 -10.623 -12.423 -17.898 1.00 1.60 C ATOM 6 CG MET A 1 -10.146 -12.399 -19.352 1.00 2.33 C ATOM 7 SD MET A 1 -9.213 -10.910 -19.765 1.00 3.31 S ATOM 8 CE MET A 1 -10.492 -9.644 -19.666 1.00 4.33 C ATOM 0 H1 MET A 1 -9.480 -14.803 -17.395 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.720 -14.427 -15.924 1.00 1.74 H new ATOM 0 H3 MET A 1 -10.414 -14.397 -16.037 1.00 1.74 H new ATOM 0 HA MET A 1 -8.534 -12.592 -17.458 1.00 1.02 H new ATOM 0 HB2 MET A 1 -11.427 -13.151 -17.789 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.036 -11.450 -17.633 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.524 -13.274 -19.539 1.00 2.33 H new ATOM 0 HG3 MET A 1 -11.009 -12.475 -20.013 1.00 2.33 H new ATOM 0 HE1 MET A 1 -10.183 -8.769 -20.237 1.00 4.33 H new ATOM 0 HE2 MET A 1 -11.423 -10.035 -20.076 1.00 4.33 H new ATOM 0 HE3 MET A 1 -10.645 -9.362 -18.624 1.00 4.33 H new ATOM 20 N GLU A 2 -8.607 -10.950 -15.585 1.00 0.51 N ATOM 21 CA GLU A 2 -8.523 -10.028 -14.451 1.00 0.37 C ATOM 22 C GLU A 2 -7.934 -8.692 -14.922 1.00 0.34 C ATOM 23 O GLU A 2 -7.072 -8.656 -15.801 1.00 0.48 O ATOM 24 CB GLU A 2 -7.704 -10.693 -13.318 1.00 0.53 C ATOM 25 CG GLU A 2 -6.770 -9.750 -12.557 1.00 0.96 C ATOM 26 CD GLU A 2 -5.337 -9.844 -13.072 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.118 -10.384 -14.177 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.425 -9.378 -12.363 1.00 2.09 O ATOM 0 H GLU A 2 -7.885 -10.800 -16.289 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.512 -9.810 -14.047 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.396 -11.146 -12.608 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.111 -11.501 -13.745 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.127 -8.725 -12.657 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.792 -9.994 -11.495 1.00 0.96 H new ATOM 35 N GLY A 3 -8.417 -7.597 -14.336 1.00 0.25 N ATOM 36 CA GLY A 3 -7.961 -6.251 -14.696 1.00 0.28 C ATOM 37 C GLY A 3 -8.875 -5.182 -14.102 1.00 0.22 C ATOM 38 O GLY A 3 -9.807 -5.481 -13.347 1.00 0.22 O ATOM 0 H GLY A 3 -9.128 -7.614 -13.605 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.942 -6.102 -14.339 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.936 -6.150 -15.781 1.00 0.28 H new ATOM 42 N PHE A 4 -8.603 -3.930 -14.466 1.00 0.24 N ATOM 43 CA PHE A 4 -9.390 -2.776 -14.007 1.00 0.21 C ATOM 44 C PHE A 4 -10.660 -2.636 -14.844 1.00 0.22 C ATOM 45 O PHE A 4 -10.669 -2.942 -16.039 1.00 0.27 O ATOM 46 CB PHE A 4 -8.569 -1.485 -14.126 1.00 0.23 C ATOM 47 CG PHE A 4 -7.647 -1.235 -12.953 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.174 -0.864 -11.724 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.272 -1.355 -13.104 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.331 -0.613 -10.656 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.431 -1.107 -12.032 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.962 -0.735 -10.810 1.00 0.41 C ATOM 0 H PHE A 4 -7.832 -3.682 -15.087 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.656 -2.941 -12.963 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.976 -1.526 -15.040 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.251 -0.640 -14.226 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.243 -0.771 -11.601 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.858 -1.642 -14.059 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.742 -0.321 -9.701 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.362 -1.204 -12.150 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.306 -0.539 -9.975 1.00 0.41 H new ATOM 62 N LEU A 5 -11.719 -2.161 -14.211 1.00 0.19 N ATOM 63 CA LEU A 5 -13.006 -1.963 -14.869 1.00 0.21 C ATOM 64 C LEU A 5 -13.787 -0.855 -14.159 1.00 0.20 C ATOM 65 O LEU A 5 -13.745 -0.738 -12.932 1.00 0.21 O ATOM 66 CB LEU A 5 -13.827 -3.268 -14.825 1.00 0.23 C ATOM 67 CG LEU A 5 -13.723 -4.079 -16.120 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.541 -5.363 -16.001 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.189 -3.267 -17.329 1.00 0.31 C ATOM 0 H LEU A 5 -11.714 -1.900 -13.225 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.829 -1.680 -15.907 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.484 -3.879 -13.990 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.873 -3.027 -14.635 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.674 -4.333 -16.273 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.461 -5.933 -16.927 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.161 -5.961 -15.173 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.586 -5.113 -15.818 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.101 -3.874 -18.230 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.229 -2.972 -17.190 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.569 -2.376 -17.430 1.00 0.31 H new ATOM 81 N ASN A 6 -14.544 -0.083 -14.928 1.00 0.22 N ATOM 82 CA ASN A 6 -15.398 0.975 -14.373 1.00 0.23 C ATOM 83 C ASN A 6 -16.718 0.311 -13.994 1.00 0.22 C ATOM 84 O ASN A 6 -17.305 -0.368 -14.826 1.00 0.26 O ATOM 85 CB ASN A 6 -15.611 2.097 -15.411 1.00 0.28 C ATOM 86 CG ASN A 6 -15.316 3.475 -14.813 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.069 3.981 -13.981 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.225 4.087 -15.245 1.00 1.24 N ATOM 0 H ASN A 6 -14.588 -0.166 -15.944 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.939 1.441 -13.501 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -14.964 1.926 -16.271 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.638 2.069 -15.774 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.983 5.011 -14.887 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.626 3.635 -15.936 1.00 1.24 H new ATOM 95 N ARG A 7 -17.144 0.448 -12.738 1.00 0.23 N ATOM 96 CA ARG A 7 -18.371 -0.208 -12.255 1.00 0.24 C ATOM 97 C ARG A 7 -19.406 0.795 -11.735 1.00 0.25 C ATOM 98 O ARG A 7 -19.072 1.768 -11.060 1.00 0.32 O ATOM 99 CB ARG A 7 -18.004 -1.194 -11.134 1.00 0.28 C ATOM 100 CG ARG A 7 -19.187 -2.086 -10.735 1.00 0.34 C ATOM 101 CD ARG A 7 -18.739 -3.254 -9.846 1.00 0.54 C ATOM 102 NE ARG A 7 -18.419 -2.786 -8.492 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.996 -3.301 -7.406 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.951 -4.609 -7.188 1.00 1.46 N ATOM 105 NH2 ARG A 7 -19.612 -2.503 -6.548 1.00 1.71 N ATOM 0 H ARG A 7 -16.662 1.006 -12.033 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.822 -0.730 -13.098 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.174 -1.820 -11.461 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.660 -0.638 -10.262 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.931 -1.490 -10.206 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.669 -2.475 -11.632 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.528 -4.005 -9.799 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.866 -3.737 -10.285 1.00 0.54 H new ATOM 0 HE ARG A 7 -17.732 -2.041 -8.378 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.475 -5.220 -7.851 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.392 -5.003 -6.357 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -19.644 -1.498 -6.719 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.055 -2.893 -5.716 1.00 1.71 H new ATOM 119 N LYS A 8 -20.671 0.512 -12.038 1.00 0.27 N ATOM 120 CA LYS A 8 -21.809 1.325 -11.598 1.00 0.29 C ATOM 121 C LYS A 8 -22.985 0.386 -11.328 1.00 0.29 C ATOM 122 O LYS A 8 -23.483 -0.261 -12.251 1.00 0.38 O ATOM 123 CB LYS A 8 -22.175 2.360 -12.680 1.00 0.36 C ATOM 124 CG LYS A 8 -23.261 3.342 -12.207 1.00 0.37 C ATOM 125 CD LYS A 8 -24.390 3.500 -13.241 1.00 0.50 C ATOM 126 CE LYS A 8 -25.670 2.782 -12.786 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.850 3.140 -13.629 1.00 1.02 N ATOM 0 H LYS A 8 -20.940 -0.295 -12.601 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.555 1.872 -10.690 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.282 2.918 -12.962 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.522 1.841 -13.573 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.680 2.991 -11.264 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.809 4.315 -12.013 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.600 4.559 -13.395 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.066 3.097 -14.200 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.513 1.704 -12.824 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.878 3.037 -11.747 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.493 3.750 -13.085 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.529 3.646 -14.479 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.351 2.273 -13.911 1.00 1.02 H new ATOM 141 N HIS A 9 -23.416 0.289 -10.065 1.00 0.43 N ATOM 142 CA HIS A 9 -24.527 -0.598 -9.690 1.00 0.52 C ATOM 143 C HIS A 9 -25.858 -0.010 -10.166 1.00 0.58 C ATOM 144 O HIS A 9 -26.238 1.092 -9.768 1.00 0.73 O ATOM 145 CB HIS A 9 -24.608 -0.852 -8.155 1.00 0.68 C ATOM 146 CG HIS A 9 -23.470 -0.315 -7.327 1.00 0.88 C ATOM 147 ND1 HIS A 9 -22.852 -1.037 -6.336 1.00 1.21 N ATOM 148 CD2 HIS A 9 -22.850 0.890 -7.316 1.00 1.22 C ATOM 149 CE1 HIS A 9 -21.915 -0.331 -5.755 1.00 1.69 C ATOM 150 NE2 HIS A 9 -21.882 0.859 -6.330 1.00 1.75 N ATOM 0 H HIS A 9 -23.015 0.811 -9.286 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.335 -1.554 -10.176 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.536 -0.416 -7.785 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.673 -1.927 -7.989 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -23.091 -1.996 -6.086 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.073 1.726 -7.963 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -21.280 -0.663 -4.947 1.00 1.69 H new ATOM 158 N GLU A 10 -26.571 -0.770 -10.996 1.00 0.60 N ATOM 159 CA GLU A 10 -27.874 -0.367 -11.511 1.00 0.73 C ATOM 160 C GLU A 10 -28.945 -0.691 -10.473 1.00 0.83 C ATOM 161 O GLU A 10 -29.917 0.040 -10.312 1.00 1.00 O ATOM 162 CB GLU A 10 -28.157 -1.139 -12.798 1.00 0.79 C ATOM 163 CG GLU A 10 -27.251 -0.686 -13.945 1.00 1.28 C ATOM 164 CD GLU A 10 -28.057 0.011 -15.032 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.899 -0.650 -15.671 1.00 1.72 O ATOM 166 OE2 GLU A 10 -27.855 1.220 -15.248 1.00 1.52 O ATOM 0 H GLU A 10 -26.259 -1.682 -11.329 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.881 0.703 -11.716 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.014 -2.205 -12.621 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.200 -1.001 -13.083 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.486 -0.010 -13.564 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -26.733 -1.548 -14.367 1.00 1.28 H new ATOM 173 N TRP A 11 -28.725 -1.795 -9.772 1.00 0.82 N ATOM 174 CA TRP A 11 -29.611 -2.281 -8.728 1.00 0.96 C ATOM 175 C TRP A 11 -28.794 -3.215 -7.838 1.00 0.94 C ATOM 176 O TRP A 11 -28.191 -4.179 -8.326 1.00 0.84 O ATOM 177 CB TRP A 11 -30.815 -3.015 -9.347 1.00 1.08 C ATOM 178 CG TRP A 11 -31.750 -3.616 -8.326 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.595 -2.946 -7.487 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.924 -5.016 -8.038 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.260 -3.855 -6.713 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.880 -5.123 -7.024 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.361 -6.184 -8.549 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.278 -6.349 -6.514 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.753 -7.415 -8.047 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.705 -7.498 -7.038 1.00 1.53 C ATOM 0 H TRP A 11 -27.908 -2.388 -9.918 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.009 -1.455 -8.139 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.373 -2.317 -9.971 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.449 -3.806 -10.002 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.717 -1.874 -7.443 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.948 -3.615 -5.999 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.621 -6.130 -9.334 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.016 -6.408 -5.728 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.314 -8.319 -8.444 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.001 -8.465 -6.659 1.00 1.53 H new ATOM 197 N GLU A 12 -28.751 -2.910 -6.547 1.00 1.16 N ATOM 198 CA GLU A 12 -27.987 -3.703 -5.583 1.00 1.26 C ATOM 199 C GLU A 12 -28.594 -3.545 -4.189 1.00 1.56 C ATOM 200 O GLU A 12 -28.114 -2.747 -3.378 1.00 2.03 O ATOM 201 CB GLU A 12 -26.520 -3.244 -5.594 1.00 1.34 C ATOM 202 CG GLU A 12 -25.602 -4.216 -4.848 1.00 1.63 C ATOM 203 CD GLU A 12 -24.300 -3.522 -4.472 1.00 1.81 C ATOM 204 OE1 GLU A 12 -23.361 -3.524 -5.292 1.00 2.05 O ATOM 205 OE2 GLU A 12 -24.221 -2.959 -3.363 1.00 2.09 O ATOM 0 H GLU A 12 -29.239 -2.113 -6.138 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.026 -4.757 -5.858 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.180 -3.145 -6.625 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.447 -2.256 -5.138 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.100 -4.583 -3.950 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -25.393 -5.084 -5.474 1.00 1.63 H new ATOM 212 N ALA A 13 -29.650 -4.323 -3.938 1.00 1.77 N ATOM 213 CA ALA A 13 -30.386 -4.342 -2.664 1.00 2.14 C ATOM 214 C ALA A 13 -31.811 -4.831 -2.929 1.00 2.15 C ATOM 215 O ALA A 13 -32.040 -6.023 -3.136 1.00 2.54 O ATOM 216 CB ALA A 13 -30.410 -2.960 -1.983 1.00 2.70 C ATOM 0 H ALA A 13 -30.028 -4.973 -4.628 1.00 1.77 H new ATOM 0 HA ALA A 13 -29.874 -5.018 -1.980 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -30.964 -3.025 -1.047 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -29.389 -2.637 -1.778 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -30.893 -2.238 -2.641 1.00 2.70 H new ATOM 222 N HIS A 14 -32.757 -3.900 -2.937 1.00 2.38 N ATOM 223 CA HIS A 14 -34.169 -4.204 -3.191 1.00 2.81 C ATOM 224 C HIS A 14 -34.956 -2.904 -3.396 1.00 2.77 C ATOM 225 O HIS A 14 -34.417 -1.807 -3.230 1.00 3.31 O ATOM 226 CB HIS A 14 -34.779 -5.032 -2.036 1.00 3.51 C ATOM 227 CG HIS A 14 -35.548 -6.232 -2.515 1.00 3.99 C ATOM 228 ND1 HIS A 14 -36.914 -6.256 -2.647 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.139 -7.464 -2.914 1.00 4.33 C ATOM 230 CE1 HIS A 14 -37.323 -7.418 -3.096 1.00 5.34 C ATOM 231 NE2 HIS A 14 -36.261 -8.188 -3.272 1.00 5.13 N ATOM 0 H HIS A 14 -32.572 -2.911 -2.768 1.00 2.38 H new ATOM 0 HA HIS A 14 -34.233 -4.804 -4.099 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -33.980 -5.361 -1.371 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -35.440 -4.394 -1.449 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -34.118 -7.816 -2.946 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -38.348 -7.698 -3.289 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -36.269 -9.149 -3.613 1.00 5.13 H new ATOM 239 N ASN A 15 -36.227 -3.051 -3.773 1.00 2.64 N ATOM 240 CA ASN A 15 -37.151 -1.932 -4.035 1.00 2.83 C ATOM 241 C ASN A 15 -36.993 -1.454 -5.482 1.00 2.48 C ATOM 242 O ASN A 15 -37.787 -1.830 -6.348 1.00 2.96 O ATOM 243 CB ASN A 15 -36.966 -0.765 -3.032 1.00 3.64 C ATOM 244 CG ASN A 15 -38.236 0.097 -2.961 1.00 4.19 C ATOM 245 OD1 ASN A 15 -38.381 1.074 -3.696 1.00 4.25 O ATOM 246 ND2 ASN A 15 -39.160 -0.261 -2.078 1.00 4.99 N ATOM 0 H ASN A 15 -36.657 -3.966 -3.909 1.00 2.64 H new ATOM 0 HA ASN A 15 -38.167 -2.298 -3.892 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -36.734 -1.162 -2.044 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -36.119 -0.149 -3.335 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -40.021 0.279 -1.994 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -39.009 -1.076 -1.484 1.00 4.99 H new ATOM 253 N LYS A 16 -35.969 -0.642 -5.746 1.00 2.30 N ATOM 254 CA LYS A 16 -35.713 -0.128 -7.095 1.00 2.46 C ATOM 255 C LYS A 16 -34.411 0.677 -7.134 1.00 2.10 C ATOM 256 O LYS A 16 -34.183 1.554 -6.295 1.00 2.44 O ATOM 257 CB LYS A 16 -36.881 0.754 -7.580 1.00 3.26 C ATOM 258 CG LYS A 16 -37.303 1.797 -6.537 1.00 3.87 C ATOM 259 CD LYS A 16 -37.230 3.221 -7.100 1.00 4.83 C ATOM 260 CE LYS A 16 -37.148 4.271 -5.983 1.00 5.52 C ATOM 261 NZ LYS A 16 -37.963 3.889 -4.793 1.00 6.03 N ATOM 0 H LYS A 16 -35.301 -0.325 -5.043 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.619 -0.986 -7.761 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -36.591 1.262 -8.500 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -37.734 0.120 -7.821 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -38.320 1.589 -6.204 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -36.659 1.718 -5.661 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -36.359 3.311 -7.749 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -38.108 3.414 -7.717 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -36.108 4.400 -5.683 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -37.492 5.233 -6.364 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -37.961 4.670 -4.106 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -38.940 3.691 -5.090 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -37.557 3.039 -4.352 1.00 6.03 H new ATOM 275 N LYS A 17 -33.584 0.379 -8.137 1.00 1.88 N ATOM 276 CA LYS A 17 -32.298 1.058 -8.372 1.00 1.62 C ATOM 277 C LYS A 17 -31.327 0.969 -7.185 1.00 1.62 C ATOM 278 O LYS A 17 -31.510 0.182 -6.251 1.00 2.06 O ATOM 279 CB LYS A 17 -32.539 2.531 -8.753 1.00 1.84 C ATOM 280 CG LYS A 17 -33.658 2.678 -9.790 1.00 2.30 C ATOM 281 CD LYS A 17 -33.390 3.837 -10.758 1.00 2.75 C ATOM 282 CE LYS A 17 -33.139 5.158 -10.020 1.00 3.27 C ATOM 283 NZ LYS A 17 -34.290 5.535 -9.152 1.00 3.75 N ATOM 0 H LYS A 17 -33.786 -0.350 -8.821 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.819 0.531 -9.197 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.795 3.100 -7.859 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -31.618 2.959 -9.150 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.756 1.750 -10.353 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.607 2.843 -9.280 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -32.526 3.599 -11.378 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -34.241 3.953 -11.429 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.239 5.069 -9.412 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -32.956 5.951 -10.746 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -34.119 6.473 -8.737 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -35.160 5.562 -9.721 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -34.396 4.834 -8.391 1.00 3.75 H new ATOM 297 N ALA A 18 -30.280 1.787 -7.260 1.00 1.43 N ATOM 298 CA ALA A 18 -29.230 1.857 -6.241 1.00 1.61 C ATOM 299 C ALA A 18 -28.507 3.203 -6.345 1.00 1.86 C ATOM 300 O ALA A 18 -28.520 3.840 -7.400 1.00 2.10 O ATOM 301 CB ALA A 18 -28.233 0.711 -6.442 1.00 1.58 C ATOM 0 H ALA A 18 -30.133 2.429 -8.039 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.679 1.765 -5.252 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -27.455 0.768 -5.681 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.753 -0.243 -6.357 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.781 0.791 -7.431 1.00 1.58 H new ATOM 307 N SER A 19 -27.881 3.632 -5.250 1.00 2.24 N ATOM 308 CA SER A 19 -27.153 4.911 -5.215 1.00 2.71 C ATOM 309 C SER A 19 -25.970 4.822 -4.238 1.00 2.85 C ATOM 310 O SER A 19 -25.768 5.701 -3.396 1.00 3.33 O ATOM 311 CB SER A 19 -28.120 6.049 -4.825 1.00 3.28 C ATOM 312 OG SER A 19 -29.096 5.600 -3.885 1.00 3.62 O ATOM 0 H SER A 19 -27.860 3.115 -4.371 1.00 2.24 H new ATOM 0 HA SER A 19 -26.751 5.128 -6.205 1.00 2.71 H new ATOM 0 HB2 SER A 19 -27.556 6.879 -4.399 1.00 3.28 H new ATOM 0 HB3 SER A 19 -28.618 6.428 -5.717 1.00 3.28 H new ATOM 0 HG SER A 19 -29.694 6.342 -3.655 1.00 3.62 H new ATOM 318 N SER A 20 -25.192 3.745 -4.359 1.00 2.92 N ATOM 319 CA SER A 20 -24.025 3.508 -3.503 1.00 3.46 C ATOM 320 C SER A 20 -22.799 4.249 -4.051 1.00 3.36 C ATOM 321 O SER A 20 -22.272 5.155 -3.403 1.00 3.74 O ATOM 322 CB SER A 20 -23.750 1.995 -3.397 1.00 4.13 C ATOM 323 OG SER A 20 -24.428 1.272 -4.427 1.00 4.31 O ATOM 0 H SER A 20 -25.351 3.013 -5.051 1.00 2.92 H new ATOM 0 HA SER A 20 -24.233 3.893 -2.505 1.00 3.46 H new ATOM 0 HB2 SER A 20 -22.678 1.812 -3.466 1.00 4.13 H new ATOM 0 HB3 SER A 20 -24.073 1.632 -2.421 1.00 4.13 H new ATOM 0 HG SER A 20 -25.388 1.245 -4.231 1.00 4.31 H new ATOM 329 N ARG A 21 -22.356 3.860 -5.248 1.00 3.28 N ATOM 330 CA ARG A 21 -21.193 4.478 -5.897 1.00 3.37 C ATOM 331 C ARG A 21 -21.385 4.477 -7.417 1.00 2.30 C ATOM 332 O ARG A 21 -21.151 3.471 -8.092 1.00 2.78 O ATOM 333 CB ARG A 21 -19.911 3.723 -5.508 1.00 4.44 C ATOM 334 CG ARG A 21 -18.672 4.620 -5.599 1.00 5.18 C ATOM 335 CD ARG A 21 -18.509 5.473 -4.339 1.00 5.89 C ATOM 336 NE ARG A 21 -18.152 4.633 -3.192 1.00 6.25 N ATOM 337 CZ ARG A 21 -18.604 4.871 -1.964 1.00 6.92 C ATOM 338 NH1 ARG A 21 -18.090 5.866 -1.255 1.00 7.30 N ATOM 339 NH2 ARG A 21 -19.563 4.107 -1.456 1.00 7.43 N ATOM 0 H ARG A 21 -22.788 3.114 -5.793 1.00 3.28 H new ATOM 0 HA ARG A 21 -21.098 5.511 -5.561 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -20.009 3.340 -4.492 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -19.784 2.861 -6.163 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -17.784 4.004 -5.741 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -18.753 5.268 -6.472 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -17.737 6.226 -4.500 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -19.437 6.007 -4.132 1.00 5.89 H new ATOM 0 HE ARG A 21 -17.534 3.836 -3.341 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -17.351 6.446 -1.652 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -18.434 6.052 -0.313 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -19.950 3.341 -2.007 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -19.913 4.286 -0.515 1.00 7.43 H new ATOM 353 N SER A 22 -21.832 5.611 -7.946 1.00 1.32 N ATOM 354 CA SER A 22 -22.087 5.768 -9.381 1.00 0.74 C ATOM 355 C SER A 22 -20.782 5.951 -10.176 1.00 0.68 C ATOM 356 O SER A 22 -20.133 6.996 -10.098 1.00 1.69 O ATOM 357 CB SER A 22 -23.020 6.966 -9.612 1.00 1.62 C ATOM 358 OG SER A 22 -24.081 6.968 -8.659 1.00 1.86 O ATOM 0 H SER A 22 -22.029 6.448 -7.397 1.00 1.32 H new ATOM 0 HA SER A 22 -22.564 4.856 -9.740 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.454 7.894 -9.536 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.430 6.925 -10.621 1.00 1.62 H new ATOM 0 HG SER A 22 -24.664 7.739 -8.820 1.00 1.86 H new ATOM 364 N TRP A 23 -20.433 4.921 -10.954 1.00 0.69 N ATOM 365 CA TRP A 23 -19.232 4.901 -11.813 1.00 0.41 C ATOM 366 C TRP A 23 -17.937 5.042 -11.004 1.00 0.40 C ATOM 367 O TRP A 23 -17.393 6.142 -10.865 1.00 0.55 O ATOM 368 CB TRP A 23 -19.310 5.991 -12.907 1.00 0.43 C ATOM 369 CG TRP A 23 -20.129 5.577 -14.105 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.162 6.270 -14.678 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.981 4.364 -14.876 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.637 5.552 -15.744 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.949 4.387 -15.889 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.126 3.264 -14.802 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.076 3.353 -16.807 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.246 2.232 -15.711 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.215 2.270 -16.707 1.00 0.31 C ATOM 0 H TRP A 23 -20.981 4.063 -11.009 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.209 3.925 -12.297 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.739 6.897 -12.478 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.301 6.240 -13.234 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.540 7.225 -14.345 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.403 5.851 -16.348 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.369 3.220 -14.033 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.828 3.391 -17.581 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.579 1.385 -15.648 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.298 1.452 -17.407 1.00 0.31 H new ATOM 388 N HIS A 24 -17.438 3.912 -10.500 1.00 0.37 N ATOM 389 CA HIS A 24 -16.191 3.859 -9.727 1.00 0.45 C ATOM 390 C HIS A 24 -15.226 2.881 -10.397 1.00 0.36 C ATOM 391 O HIS A 24 -15.632 1.803 -10.836 1.00 0.34 O ATOM 392 CB HIS A 24 -16.456 3.428 -8.262 1.00 0.61 C ATOM 393 CG HIS A 24 -17.245 2.152 -8.101 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.601 2.062 -8.299 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.864 0.898 -7.750 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.029 0.842 -8.085 1.00 2.98 C ATOM 397 NE2 HIS A 24 -17.991 0.096 -7.746 1.00 2.74 N ATOM 0 H HIS A 24 -17.887 3.004 -10.616 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.751 4.856 -9.705 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.498 3.310 -7.756 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.988 4.232 -7.754 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.197 2.842 -8.576 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -15.858 0.582 -7.515 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.051 0.505 -8.171 1.00 2.98 H new ATOM 405 N ASN A 25 -13.946 3.248 -10.460 1.00 0.37 N ATOM 406 CA ASN A 25 -12.921 2.388 -11.059 1.00 0.35 C ATOM 407 C ASN A 25 -12.537 1.321 -10.038 1.00 0.34 C ATOM 408 O ASN A 25 -12.023 1.637 -8.961 1.00 0.55 O ATOM 409 CB ASN A 25 -11.693 3.215 -11.471 1.00 0.44 C ATOM 410 CG ASN A 25 -10.791 2.410 -12.414 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.266 1.783 -13.360 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.492 2.421 -12.158 1.00 1.49 N ATOM 0 H ASN A 25 -13.592 4.136 -10.104 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.312 1.915 -11.960 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.015 4.133 -11.963 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.131 3.508 -10.584 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.850 1.898 -12.754 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.133 2.952 -11.365 1.00 1.49 H new ATOM 419 N VAL A 26 -12.824 0.067 -10.366 1.00 0.22 N ATOM 420 CA VAL A 26 -12.551 -1.058 -9.474 1.00 0.21 C ATOM 421 C VAL A 26 -11.804 -2.167 -10.222 1.00 0.18 C ATOM 422 O VAL A 26 -11.757 -2.189 -11.455 1.00 0.23 O ATOM 423 CB VAL A 26 -13.891 -1.567 -8.893 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.600 -2.534 -9.852 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.688 -2.214 -7.520 1.00 0.31 C ATOM 0 H VAL A 26 -13.251 -0.200 -11.253 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.909 -0.737 -8.654 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.537 -0.698 -8.768 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.537 -2.868 -9.406 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.808 -2.026 -10.794 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.960 -3.396 -10.039 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.647 -2.562 -7.137 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.006 -3.059 -7.613 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.266 -1.482 -6.831 1.00 0.31 H new ATOM 435 N TYR A 27 -11.235 -3.093 -9.460 1.00 0.16 N ATOM 436 CA TYR A 27 -10.498 -4.231 -10.010 1.00 0.16 C ATOM 437 C TYR A 27 -11.407 -5.461 -9.985 1.00 0.19 C ATOM 438 O TYR A 27 -11.994 -5.780 -8.948 1.00 0.34 O ATOM 439 CB TYR A 27 -9.228 -4.476 -9.181 1.00 0.17 C ATOM 440 CG TYR A 27 -8.103 -5.096 -9.977 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.225 -4.292 -10.679 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.943 -6.470 -9.997 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.188 -4.857 -11.396 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.907 -7.038 -10.718 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.032 -6.226 -11.414 1.00 0.29 C ATOM 446 OH TYR A 27 -4.993 -6.778 -12.128 1.00 0.37 O ATOM 0 H TYR A 27 -11.270 -3.079 -8.441 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.199 -4.026 -11.038 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.888 -3.529 -8.762 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.471 -5.127 -8.341 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.350 -3.219 -10.667 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.628 -7.100 -9.449 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.501 -4.227 -11.941 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.783 -8.111 -10.737 1.00 0.30 H new ATOM 0 HH TYR A 27 -4.849 -7.702 -11.835 1.00 0.37 H new ATOM 456 N CYS A 28 -11.534 -6.135 -11.124 1.00 0.16 N ATOM 457 CA CYS A 28 -12.387 -7.323 -11.243 1.00 0.19 C ATOM 458 C CYS A 28 -11.544 -8.543 -11.610 1.00 0.19 C ATOM 459 O CYS A 28 -10.705 -8.478 -12.513 1.00 0.23 O ATOM 460 CB CYS A 28 -13.464 -7.079 -12.311 1.00 0.23 C ATOM 461 SG CYS A 28 -14.498 -5.654 -11.926 1.00 0.34 S ATOM 0 H CYS A 28 -11.054 -5.879 -11.987 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.871 -7.513 -10.285 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.985 -6.927 -13.278 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.091 -7.966 -12.401 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.256 -5.931 -10.907 1.00 0.34 H new ATOM 467 N VAL A 29 -11.761 -9.653 -10.899 1.00 0.21 N ATOM 468 CA VAL A 29 -11.022 -10.899 -11.134 1.00 0.24 C ATOM 469 C VAL A 29 -11.988 -12.087 -11.173 1.00 0.26 C ATOM 470 O VAL A 29 -12.655 -12.382 -10.179 1.00 0.38 O ATOM 471 CB VAL A 29 -9.982 -11.116 -10.017 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.073 -12.312 -10.328 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.143 -9.859 -9.800 1.00 0.33 C ATOM 0 H VAL A 29 -12.449 -9.715 -10.149 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.509 -10.824 -12.093 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.529 -11.332 -9.099 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.350 -12.439 -9.522 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.678 -13.214 -10.419 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.544 -12.133 -11.264 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.417 -10.038 -9.007 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.619 -9.608 -10.722 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.794 -9.032 -9.516 1.00 0.33 H new ATOM 483 N ILE A 30 -12.036 -12.781 -12.311 1.00 0.28 N ATOM 484 CA ILE A 30 -12.885 -13.966 -12.480 1.00 0.32 C ATOM 485 C ILE A 30 -12.107 -15.180 -11.964 1.00 0.35 C ATOM 486 O ILE A 30 -10.960 -15.401 -12.368 1.00 0.44 O ATOM 487 CB ILE A 30 -13.254 -14.136 -13.965 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.849 -12.838 -14.528 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.242 -15.287 -14.162 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.218 -12.976 -16.005 1.00 0.57 C ATOM 0 H ILE A 30 -11.491 -12.541 -13.139 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.813 -13.861 -11.918 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.338 -14.371 -14.506 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.736 -12.567 -13.956 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.131 -12.027 -14.407 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.483 -15.382 -15.221 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.795 -16.215 -13.807 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.153 -15.085 -13.599 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.636 -12.036 -16.365 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.326 -13.221 -16.581 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.956 -13.770 -16.123 1.00 0.57 H new ATOM 502 N ASN A 31 -12.707 -15.936 -11.046 1.00 0.46 N ATOM 503 CA ASN A 31 -12.047 -17.103 -10.449 1.00 0.58 C ATOM 504 C ASN A 31 -13.030 -18.263 -10.279 1.00 0.71 C ATOM 505 O ASN A 31 -14.002 -18.163 -9.527 1.00 1.20 O ATOM 506 CB ASN A 31 -11.453 -16.711 -9.084 1.00 0.73 C ATOM 507 CG ASN A 31 -10.403 -17.726 -8.631 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.259 -17.691 -9.085 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.785 -18.622 -7.733 1.00 1.47 N ATOM 0 H ASN A 31 -13.650 -15.764 -10.697 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.250 -17.432 -11.116 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.002 -15.721 -9.151 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.249 -16.649 -8.341 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.121 -19.317 -7.392 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.743 -18.616 -7.382 1.00 1.47 H new ATOM 516 N ASN A 32 -12.750 -19.363 -10.979 1.00 0.85 N ATOM 517 CA ASN A 32 -13.559 -20.589 -10.936 1.00 1.00 C ATOM 518 C ASN A 32 -14.967 -20.367 -11.508 1.00 1.00 C ATOM 519 O ASN A 32 -15.229 -20.703 -12.664 1.00 1.97 O ATOM 520 CB ASN A 32 -13.622 -21.148 -9.499 1.00 1.24 C ATOM 521 CG ASN A 32 -14.306 -22.519 -9.474 1.00 1.73 C ATOM 522 OD1 ASN A 32 -13.849 -23.466 -10.115 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.402 -22.625 -8.735 1.00 2.52 N ATOM 0 H ASN A 32 -11.945 -19.432 -11.601 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.071 -21.328 -11.571 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.614 -21.233 -9.093 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.166 -20.454 -8.858 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.898 -23.515 -8.683 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.749 -21.817 -8.218 1.00 2.52 H new ATOM 530 N GLN A 33 -15.872 -19.827 -10.689 1.00 0.75 N ATOM 531 CA GLN A 33 -17.261 -19.589 -11.109 1.00 0.67 C ATOM 532 C GLN A 33 -17.782 -18.228 -10.630 1.00 0.56 C ATOM 533 O GLN A 33 -18.900 -17.828 -11.012 1.00 0.71 O ATOM 534 CB GLN A 33 -18.148 -20.713 -10.548 1.00 0.83 C ATOM 535 CG GLN A 33 -19.347 -21.011 -11.457 1.00 1.46 C ATOM 536 CD GLN A 33 -19.099 -22.273 -12.284 1.00 1.85 C ATOM 537 OE1 GLN A 33 -18.915 -23.359 -11.735 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.095 -22.134 -13.599 1.00 2.67 N ATOM 0 H GLN A 33 -15.671 -19.545 -9.730 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.293 -19.583 -12.199 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.552 -21.618 -10.427 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.506 -20.432 -9.558 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.245 -21.137 -10.853 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.526 -20.165 -12.121 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.252 -21.216 -14.015 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.935 -22.945 -14.197 1.00 2.67 H new ATOM 547 N GLU A 34 -16.994 -17.531 -9.788 1.00 0.53 N ATOM 548 CA GLU A 34 -17.385 -16.233 -9.239 1.00 0.49 C ATOM 549 C GLU A 34 -16.371 -15.155 -9.615 1.00 0.45 C ATOM 550 O GLU A 34 -15.261 -15.454 -10.065 1.00 0.64 O ATOM 551 CB GLU A 34 -17.515 -16.341 -7.711 1.00 0.61 C ATOM 552 CG GLU A 34 -16.360 -17.136 -7.075 1.00 1.25 C ATOM 553 CD GLU A 34 -16.702 -18.621 -7.006 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.577 -19.001 -6.201 1.00 1.79 O ATOM 555 OE2 GLU A 34 -16.086 -19.412 -7.748 1.00 1.89 O ATOM 0 H GLU A 34 -16.078 -17.855 -9.476 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.348 -15.947 -9.662 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.543 -15.340 -7.280 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.462 -16.821 -7.463 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -15.450 -16.994 -7.658 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -16.159 -16.757 -6.073 1.00 1.25 H new ATOM 562 N MET A 35 -16.759 -13.899 -9.411 1.00 0.36 N ATOM 563 CA MET A 35 -15.903 -12.756 -9.699 1.00 0.35 C ATOM 564 C MET A 35 -15.653 -11.996 -8.400 1.00 0.32 C ATOM 565 O MET A 35 -16.585 -11.737 -7.634 1.00 0.42 O ATOM 566 CB MET A 35 -16.547 -11.847 -10.761 1.00 0.41 C ATOM 567 CG MET A 35 -17.748 -11.065 -10.224 1.00 0.43 C ATOM 568 SD MET A 35 -18.557 -10.072 -11.495 1.00 0.60 S ATOM 569 CE MET A 35 -17.247 -8.918 -11.944 1.00 1.25 C ATOM 0 H MET A 35 -17.676 -13.647 -9.041 1.00 0.36 H new ATOM 0 HA MET A 35 -14.951 -13.100 -10.105 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.800 -11.146 -11.134 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.865 -12.455 -11.608 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.470 -11.762 -9.799 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.420 -10.414 -9.414 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.677 -7.934 -12.132 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.527 -8.850 -11.129 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.743 -9.271 -12.844 1.00 1.25 H new ATOM 579 N GLY A 36 -14.396 -11.662 -8.149 1.00 0.27 N ATOM 580 CA GLY A 36 -14.003 -10.950 -6.935 1.00 0.29 C ATOM 581 C GLY A 36 -13.677 -9.492 -7.241 1.00 0.25 C ATOM 582 O GLY A 36 -12.879 -9.198 -8.136 1.00 0.28 O ATOM 0 H GLY A 36 -13.620 -11.874 -8.776 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.808 -11.001 -6.202 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.135 -11.435 -6.489 1.00 0.29 H new ATOM 586 N PHE A 37 -14.295 -8.585 -6.485 1.00 0.24 N ATOM 587 CA PHE A 37 -14.077 -7.144 -6.640 1.00 0.25 C ATOM 588 C PHE A 37 -13.014 -6.676 -5.644 1.00 0.25 C ATOM 589 O PHE A 37 -13.137 -6.902 -4.438 1.00 0.40 O ATOM 590 CB PHE A 37 -15.383 -6.382 -6.406 1.00 0.30 C ATOM 591 CG PHE A 37 -16.430 -6.664 -7.462 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.277 -6.152 -8.742 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.544 -7.435 -7.157 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.235 -6.409 -9.709 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.497 -7.690 -8.125 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.344 -7.177 -9.401 1.00 0.33 C ATOM 0 H PHE A 37 -14.959 -8.826 -5.749 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.734 -6.944 -7.655 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.782 -6.648 -5.427 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.174 -5.312 -6.386 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.411 -5.553 -8.985 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.666 -7.836 -6.162 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.116 -6.009 -10.705 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.362 -8.290 -7.885 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.090 -7.376 -10.156 1.00 0.33 H new ATOM 606 N TYR A 38 -11.978 -6.029 -6.159 1.00 0.20 N ATOM 607 CA TYR A 38 -10.871 -5.525 -5.336 1.00 0.21 C ATOM 608 C TYR A 38 -10.535 -4.084 -5.726 1.00 0.21 C ATOM 609 O TYR A 38 -11.036 -3.568 -6.729 1.00 0.23 O ATOM 610 CB TYR A 38 -9.633 -6.415 -5.523 1.00 0.23 C ATOM 611 CG TYR A 38 -9.877 -7.871 -5.191 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.689 -8.325 -3.898 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.278 -8.754 -6.178 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.900 -9.658 -3.591 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.491 -10.088 -5.871 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.301 -10.535 -4.579 1.00 0.44 C ATOM 617 OH TYR A 38 -10.510 -11.863 -4.274 1.00 0.55 O ATOM 0 H TYR A 38 -11.875 -5.836 -7.155 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.175 -5.546 -4.289 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.294 -6.339 -6.556 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.827 -6.038 -4.894 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.377 -7.637 -3.126 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.425 -8.403 -7.189 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.751 -10.011 -2.581 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.805 -10.777 -6.641 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.790 -12.344 -5.081 1.00 0.55 H new ATOM 627 N LYS A 39 -9.685 -3.439 -4.927 1.00 0.25 N ATOM 628 CA LYS A 39 -9.274 -2.049 -5.176 1.00 0.29 C ATOM 629 C LYS A 39 -8.331 -1.968 -6.381 1.00 0.28 C ATOM 630 O LYS A 39 -8.543 -1.165 -7.289 1.00 0.33 O ATOM 631 CB LYS A 39 -8.584 -1.470 -3.933 1.00 0.36 C ATOM 632 CG LYS A 39 -8.356 0.043 -4.060 1.00 0.70 C ATOM 633 CD LYS A 39 -9.217 0.836 -3.069 1.00 1.15 C ATOM 634 CE LYS A 39 -8.586 2.191 -2.737 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.500 2.052 -1.728 1.00 2.51 N ATOM 0 H LYS A 39 -9.264 -3.856 -4.097 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.167 -1.463 -5.395 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.192 -1.673 -3.052 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.627 -1.970 -3.782 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.303 0.267 -3.887 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.587 0.361 -5.077 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -10.211 0.990 -3.490 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.345 0.259 -2.153 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.185 2.640 -3.646 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -9.352 2.868 -2.358 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -7.093 2.987 -1.525 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.889 1.646 -0.853 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.758 1.425 -2.100 1.00 2.51 H new ATOM 649 N ASP A 40 -7.282 -2.791 -6.372 1.00 0.28 N ATOM 650 CA ASP A 40 -6.292 -2.810 -7.455 1.00 0.32 C ATOM 651 C ASP A 40 -5.620 -4.188 -7.541 1.00 0.33 C ATOM 652 O ASP A 40 -6.094 -5.163 -6.947 1.00 0.32 O ATOM 653 CB ASP A 40 -5.254 -1.679 -7.239 1.00 0.38 C ATOM 654 CG ASP A 40 -4.119 -2.082 -6.289 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.409 -2.693 -5.236 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.945 -1.779 -6.585 1.00 0.94 O ATOM 0 H ASP A 40 -7.093 -3.458 -5.623 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.793 -2.631 -8.406 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.830 -1.393 -8.202 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.760 -0.800 -6.840 1.00 0.38 H new ATOM 661 N ALA A 41 -4.506 -4.253 -8.276 1.00 0.40 N ATOM 662 CA ALA A 41 -3.739 -5.494 -8.447 1.00 0.45 C ATOM 663 C ALA A 41 -3.168 -5.990 -7.107 1.00 0.45 C ATOM 664 O ALA A 41 -3.147 -7.193 -6.846 1.00 0.47 O ATOM 665 CB ALA A 41 -2.601 -5.262 -9.444 1.00 0.55 C ATOM 0 H ALA A 41 -4.110 -3.452 -8.768 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.413 -6.261 -8.829 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.033 -6.184 -9.569 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.016 -4.958 -10.405 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.942 -4.479 -9.069 1.00 0.55 H new ATOM 671 N LYS A 42 -2.721 -5.059 -6.251 1.00 0.46 N ATOM 672 CA LYS A 42 -2.166 -5.410 -4.935 1.00 0.48 C ATOM 673 C LYS A 42 -3.258 -5.978 -4.021 1.00 0.43 C ATOM 674 O LYS A 42 -3.079 -7.031 -3.406 1.00 0.47 O ATOM 675 CB LYS A 42 -1.524 -4.179 -4.285 1.00 0.54 C ATOM 676 CG LYS A 42 -0.402 -3.597 -5.152 1.00 0.77 C ATOM 677 CD LYS A 42 0.789 -3.157 -4.298 1.00 1.12 C ATOM 678 CE LYS A 42 1.933 -2.609 -5.161 1.00 1.96 C ATOM 679 NZ LYS A 42 1.615 -1.265 -5.724 1.00 2.76 N ATOM 0 H LYS A 42 -2.733 -4.058 -6.446 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.402 -6.174 -5.078 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.286 -3.418 -4.117 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.124 -4.451 -3.308 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.076 -4.342 -5.878 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.781 -2.746 -5.718 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.467 -2.392 -3.591 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.148 -4.002 -3.711 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.841 -2.545 -4.561 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.137 -3.304 -5.975 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.414 -0.932 -6.300 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.764 -1.330 -6.318 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.445 -0.595 -4.947 1.00 2.76 H new ATOM 693 N SER A 43 -4.402 -5.287 -3.947 1.00 0.38 N ATOM 694 CA SER A 43 -5.530 -5.734 -3.119 1.00 0.38 C ATOM 695 C SER A 43 -6.073 -7.086 -3.615 1.00 0.39 C ATOM 696 O SER A 43 -6.469 -7.936 -2.810 1.00 0.45 O ATOM 697 CB SER A 43 -6.629 -4.669 -3.122 1.00 0.37 C ATOM 698 OG SER A 43 -6.124 -3.437 -2.613 1.00 1.04 O ATOM 0 H SER A 43 -4.572 -4.416 -4.450 1.00 0.38 H new ATOM 0 HA SER A 43 -5.181 -5.874 -2.096 1.00 0.38 H new ATOM 0 HB2 SER A 43 -7.003 -4.526 -4.136 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.471 -5.003 -2.516 1.00 0.37 H new ATOM 0 HG SER A 43 -5.557 -3.011 -3.290 1.00 1.04 H new ATOM 704 N ALA A 44 -6.065 -7.286 -4.940 1.00 0.37 N ATOM 705 CA ALA A 44 -6.533 -8.536 -5.556 1.00 0.43 C ATOM 706 C ALA A 44 -5.541 -9.680 -5.304 1.00 0.51 C ATOM 707 O ALA A 44 -5.942 -10.822 -5.076 1.00 0.59 O ATOM 708 CB ALA A 44 -6.725 -8.337 -7.063 1.00 0.43 C ATOM 0 H ALA A 44 -5.737 -6.592 -5.611 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.487 -8.803 -5.101 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.072 -9.268 -7.512 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.463 -7.554 -7.235 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.777 -8.047 -7.516 1.00 0.43 H new ATOM 714 N ALA A 45 -4.243 -9.363 -5.349 1.00 0.54 N ATOM 715 CA ALA A 45 -3.178 -10.356 -5.130 1.00 0.64 C ATOM 716 C ALA A 45 -3.087 -10.765 -3.657 1.00 0.68 C ATOM 717 O ALA A 45 -3.012 -11.955 -3.344 1.00 0.76 O ATOM 718 CB ALA A 45 -1.833 -9.784 -5.589 1.00 0.69 C ATOM 0 H ALA A 45 -3.900 -8.421 -5.536 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.421 -11.244 -5.714 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.048 -10.523 -5.425 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.885 -9.539 -6.650 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.608 -8.882 -5.019 1.00 0.69 H new ATOM 724 N SER A 46 -3.083 -9.775 -2.760 1.00 0.65 N ATOM 725 CA SER A 46 -2.986 -10.015 -1.317 1.00 0.73 C ATOM 726 C SER A 46 -4.235 -10.737 -0.787 1.00 0.74 C ATOM 727 O SER A 46 -4.127 -11.700 -0.022 1.00 0.84 O ATOM 728 CB SER A 46 -2.796 -8.675 -0.588 1.00 0.75 C ATOM 729 OG SER A 46 -2.072 -8.846 0.623 1.00 1.21 O ATOM 0 H SER A 46 -3.147 -8.789 -3.012 1.00 0.65 H new ATOM 0 HA SER A 46 -2.127 -10.659 -1.129 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.266 -7.978 -1.236 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.769 -8.234 -0.374 1.00 0.75 H new ATOM 0 HG SER A 46 -1.964 -7.978 1.065 1.00 1.21 H new ATOM 735 N GLY A 47 -5.415 -10.257 -1.182 1.00 0.70 N ATOM 736 CA GLY A 47 -6.686 -10.840 -0.743 1.00 0.74 C ATOM 737 C GLY A 47 -7.350 -9.919 0.270 1.00 0.75 C ATOM 738 O GLY A 47 -7.759 -10.348 1.350 1.00 0.88 O ATOM 0 H GLY A 47 -5.518 -9.460 -1.810 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.344 -10.989 -1.599 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.513 -11.820 -0.299 1.00 0.74 H new ATOM 742 N ILE A 48 -7.446 -8.646 -0.101 1.00 0.67 N ATOM 743 CA ILE A 48 -8.048 -7.610 0.734 1.00 0.72 C ATOM 744 C ILE A 48 -9.355 -7.159 0.074 1.00 0.75 C ATOM 745 O ILE A 48 -9.341 -6.671 -1.050 1.00 0.75 O ATOM 746 CB ILE A 48 -7.061 -6.440 0.869 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.852 -6.860 1.713 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.733 -5.208 1.482 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.688 -5.885 1.557 1.00 0.97 C ATOM 0 H ILE A 48 -7.105 -8.300 -0.998 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.268 -7.988 1.732 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.722 -6.172 -0.132 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -6.142 -6.915 2.762 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.532 -7.859 1.418 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.006 -4.400 1.563 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.560 -4.890 0.847 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -8.112 -5.456 2.473 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.851 -6.217 2.171 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.381 -5.850 0.512 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.001 -4.891 1.877 1.00 0.97 H new ATOM 761 N PRO A 49 -10.508 -7.340 0.750 1.00 0.84 N ATOM 762 CA PRO A 49 -11.822 -6.972 0.184 1.00 0.93 C ATOM 763 C PRO A 49 -12.046 -5.456 0.066 1.00 0.93 C ATOM 764 O PRO A 49 -11.653 -4.678 0.938 1.00 1.08 O ATOM 765 CB PRO A 49 -12.827 -7.613 1.138 1.00 1.07 C ATOM 766 CG PRO A 49 -12.101 -7.763 2.433 1.00 1.06 C ATOM 767 CD PRO A 49 -10.640 -7.939 2.095 1.00 0.92 C ATOM 0 HA PRO A 49 -11.916 -7.322 -0.844 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.713 -6.988 1.254 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.165 -8.579 0.762 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -12.249 -6.886 3.063 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.476 -8.622 2.989 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -10.000 -7.437 2.820 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.355 -8.991 2.093 1.00 0.92 H new ATOM 775 N TYR A 50 -12.692 -5.062 -1.031 1.00 0.87 N ATOM 776 CA TYR A 50 -13.004 -3.657 -1.323 1.00 0.91 C ATOM 777 C TYR A 50 -14.320 -3.259 -0.640 1.00 1.12 C ATOM 778 O TYR A 50 -14.368 -2.306 0.144 1.00 1.91 O ATOM 779 CB TYR A 50 -13.100 -3.480 -2.849 1.00 0.92 C ATOM 780 CG TYR A 50 -13.455 -2.077 -3.305 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.676 -1.004 -2.905 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.566 -1.859 -4.109 1.00 1.13 C ATOM 783 CE1 TYR A 50 -13.005 0.281 -3.301 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.888 -0.571 -4.507 1.00 1.24 C ATOM 785 CZ TYR A 50 -14.098 0.471 -4.177 1.00 1.17 C ATOM 786 OH TYR A 50 -14.435 1.772 -4.488 1.00 1.34 O ATOM 0 H TYR A 50 -13.017 -5.710 -1.749 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.217 -3.009 -0.936 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.146 -3.761 -3.294 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.848 -4.173 -3.235 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.809 -1.170 -2.282 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.178 -2.691 -4.424 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -12.435 1.126 -2.946 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.782 -0.400 -5.088 1.00 1.24 H new ATOM 0 HH TYR A 50 -15.201 1.774 -5.099 1.00 1.34 H new ATOM 796 N HIS A 51 -15.376 -4.019 -0.936 1.00 1.28 N ATOM 797 CA HIS A 51 -16.714 -3.799 -0.361 1.00 1.53 C ATOM 798 C HIS A 51 -17.061 -4.963 0.585 1.00 1.61 C ATOM 799 O HIS A 51 -16.188 -5.746 0.970 1.00 2.07 O ATOM 800 CB HIS A 51 -17.761 -3.692 -1.496 1.00 2.01 C ATOM 801 CG HIS A 51 -17.818 -2.337 -2.152 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.778 -1.990 -3.072 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.047 -1.224 -2.024 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.615 -0.754 -3.483 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.563 -0.252 -2.860 1.00 3.74 N ATOM 0 H HIS A 51 -15.332 -4.807 -1.582 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.721 -2.868 0.206 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.537 -4.442 -2.254 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.745 -3.930 -1.092 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.184 -1.118 -1.383 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.232 -0.238 -4.204 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -17.195 0.692 -2.976 1.00 3.74 H new ATOM 813 N SER A 52 -18.342 -5.079 0.944 1.00 1.60 N ATOM 814 CA SER A 52 -18.821 -6.149 1.832 1.00 1.96 C ATOM 815 C SER A 52 -18.967 -7.454 1.042 1.00 1.85 C ATOM 816 O SER A 52 -18.495 -8.506 1.470 1.00 2.45 O ATOM 817 CB SER A 52 -20.166 -5.752 2.465 1.00 2.44 C ATOM 818 OG SER A 52 -20.220 -4.347 2.708 1.00 2.65 O ATOM 0 H SER A 52 -19.074 -4.441 0.632 1.00 1.60 H new ATOM 0 HA SER A 52 -18.095 -6.300 2.631 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.983 -6.042 1.805 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.305 -6.293 3.401 1.00 2.44 H new ATOM 0 HG SER A 52 -21.084 -4.117 3.109 1.00 2.65 H new ATOM 824 N GLU A 53 -19.609 -7.365 -0.126 1.00 1.45 N ATOM 825 CA GLU A 53 -19.807 -8.517 -1.010 1.00 1.37 C ATOM 826 C GLU A 53 -18.799 -8.438 -2.157 1.00 1.08 C ATOM 827 O GLU A 53 -19.067 -7.818 -3.193 1.00 1.24 O ATOM 828 CB GLU A 53 -21.240 -8.530 -1.554 1.00 1.73 C ATOM 829 CG GLU A 53 -22.248 -8.842 -0.437 1.00 2.39 C ATOM 830 CD GLU A 53 -23.247 -9.908 -0.875 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.821 -10.934 -1.442 1.00 3.46 O ATOM 832 OE2 GLU A 53 -24.458 -9.727 -0.642 1.00 3.23 O ATOM 0 H GLU A 53 -20.005 -6.496 -0.484 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.651 -9.440 -0.451 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.473 -7.563 -2.000 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.326 -9.275 -2.345 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.716 -9.182 0.451 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.781 -7.932 -0.161 1.00 2.39 H new ATOM 839 N VAL A 54 -17.632 -9.051 -1.952 1.00 0.84 N ATOM 840 CA VAL A 54 -16.553 -9.046 -2.948 1.00 0.66 C ATOM 841 C VAL A 54 -16.679 -10.238 -3.915 1.00 0.55 C ATOM 842 O VAL A 54 -16.757 -10.032 -5.125 1.00 0.49 O ATOM 843 CB VAL A 54 -15.184 -9.002 -2.235 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.063 -9.600 -3.091 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.839 -7.561 -1.864 1.00 1.34 C ATOM 0 H VAL A 54 -17.407 -9.562 -1.098 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.637 -8.149 -3.561 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.266 -9.610 -1.334 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.121 -9.546 -2.546 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.293 -10.642 -3.316 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.977 -9.039 -4.021 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.872 -7.536 -1.361 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.794 -6.953 -2.768 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.605 -7.164 -1.198 1.00 1.34 H new ATOM 855 N PRO A 55 -16.703 -11.500 -3.417 1.00 0.62 N ATOM 856 CA PRO A 55 -16.831 -12.684 -4.284 1.00 0.59 C ATOM 857 C PRO A 55 -18.294 -12.925 -4.674 1.00 0.58 C ATOM 858 O PRO A 55 -19.052 -13.543 -3.920 1.00 0.83 O ATOM 859 CB PRO A 55 -16.288 -13.827 -3.426 1.00 0.76 C ATOM 860 CG PRO A 55 -16.473 -13.391 -2.005 1.00 0.87 C ATOM 861 CD PRO A 55 -16.617 -11.882 -1.995 1.00 0.83 C ATOM 0 HA PRO A 55 -16.292 -12.578 -5.226 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -16.825 -14.754 -3.624 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.237 -14.015 -3.644 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.357 -13.861 -1.574 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.621 -13.697 -1.398 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.508 -11.574 -1.448 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.765 -11.407 -1.509 1.00 0.83 H new ATOM 869 N VAL A 56 -18.688 -12.418 -5.838 1.00 0.41 N ATOM 870 CA VAL A 56 -20.063 -12.555 -6.328 1.00 0.43 C ATOM 871 C VAL A 56 -20.137 -13.652 -7.394 1.00 0.42 C ATOM 872 O VAL A 56 -19.243 -13.776 -8.234 1.00 0.43 O ATOM 873 CB VAL A 56 -20.546 -11.208 -6.886 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.966 -11.322 -7.443 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.496 -10.135 -5.794 1.00 0.63 C ATOM 0 H VAL A 56 -18.071 -11.904 -6.467 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.716 -12.844 -5.504 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.881 -10.921 -7.701 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -22.283 -10.354 -7.832 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.984 -12.059 -8.246 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.644 -11.634 -6.649 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.841 -9.185 -6.202 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.140 -10.429 -4.965 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.472 -10.027 -5.437 1.00 0.63 H new ATOM 885 N SER A 57 -21.201 -14.455 -7.340 1.00 0.47 N ATOM 886 CA SER A 57 -21.411 -15.561 -8.268 1.00 0.48 C ATOM 887 C SER A 57 -21.560 -15.076 -9.720 1.00 0.46 C ATOM 888 O SER A 57 -22.325 -14.153 -10.005 1.00 0.59 O ATOM 889 CB SER A 57 -22.652 -16.324 -7.829 1.00 0.61 C ATOM 890 OG SER A 57 -22.496 -16.816 -6.502 1.00 0.91 O ATOM 0 H SER A 57 -21.943 -14.354 -6.647 1.00 0.47 H new ATOM 0 HA SER A 57 -20.537 -16.212 -8.246 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.524 -15.671 -7.880 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.835 -17.154 -8.511 1.00 0.61 H new ATOM 0 HG SER A 57 -22.914 -16.193 -5.871 1.00 0.91 H new ATOM 896 N LEU A 58 -20.818 -15.720 -10.623 1.00 0.44 N ATOM 897 CA LEU A 58 -20.828 -15.395 -12.053 1.00 0.49 C ATOM 898 C LEU A 58 -21.210 -16.637 -12.876 1.00 0.60 C ATOM 899 O LEU A 58 -20.781 -16.794 -14.021 1.00 0.89 O ATOM 900 CB LEU A 58 -19.437 -14.877 -12.462 1.00 0.67 C ATOM 901 CG LEU A 58 -19.498 -13.985 -13.706 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.133 -12.633 -13.376 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.097 -13.791 -14.289 1.00 0.86 C ATOM 0 H LEU A 58 -20.189 -16.486 -10.383 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.569 -14.620 -12.248 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.002 -14.316 -11.635 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -18.778 -15.723 -12.655 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.121 -14.479 -14.452 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.165 -12.017 -14.275 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.146 -12.788 -13.005 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.540 -12.129 -12.612 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.155 -13.155 -15.172 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.455 -13.320 -13.545 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -17.681 -14.760 -14.566 1.00 0.86 H new ATOM 915 N LYS A 59 -22.021 -17.519 -12.286 1.00 0.70 N ATOM 916 CA LYS A 59 -22.463 -18.745 -12.956 1.00 0.90 C ATOM 917 C LYS A 59 -23.699 -18.451 -13.808 1.00 0.87 C ATOM 918 O LYS A 59 -24.803 -18.288 -13.279 1.00 0.95 O ATOM 919 CB LYS A 59 -22.762 -19.839 -11.911 1.00 1.13 C ATOM 920 CG LYS A 59 -22.636 -21.247 -12.506 1.00 1.41 C ATOM 921 CD LYS A 59 -24.004 -21.874 -12.797 1.00 1.78 C ATOM 922 CE LYS A 59 -24.413 -22.862 -11.700 1.00 2.18 C ATOM 923 NZ LYS A 59 -23.694 -24.161 -11.836 1.00 2.83 N ATOM 0 H LYS A 59 -22.387 -17.406 -11.341 1.00 0.70 H new ATOM 0 HA LYS A 59 -21.670 -19.107 -13.610 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.075 -19.737 -11.071 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -23.769 -19.700 -11.517 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.056 -21.200 -13.427 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -22.085 -21.884 -11.814 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -24.755 -21.089 -12.879 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.973 -22.388 -13.758 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.202 -22.429 -10.722 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.488 -23.034 -11.747 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -23.995 -24.806 -11.077 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -23.916 -24.585 -12.759 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -22.669 -23.999 -11.766 1.00 2.83 H new ATOM 937 N GLU A 60 -23.490 -18.366 -15.123 1.00 0.89 N ATOM 938 CA GLU A 60 -24.553 -18.075 -16.097 1.00 0.93 C ATOM 939 C GLU A 60 -25.101 -16.657 -15.896 1.00 0.71 C ATOM 940 O GLU A 60 -26.270 -16.466 -15.556 1.00 0.82 O ATOM 941 CB GLU A 60 -25.679 -19.117 -16.014 1.00 1.20 C ATOM 942 CG GLU A 60 -25.137 -20.546 -16.159 1.00 1.43 C ATOM 943 CD GLU A 60 -25.893 -21.301 -17.245 1.00 1.80 C ATOM 944 OE1 GLU A 60 -26.944 -21.897 -16.941 1.00 2.33 O ATOM 945 OE2 GLU A 60 -25.444 -21.290 -18.408 1.00 2.04 O ATOM 0 H GLU A 60 -22.573 -18.498 -15.549 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.120 -18.132 -17.096 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.197 -19.019 -15.060 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.413 -18.924 -16.797 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.075 -20.514 -16.403 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.230 -21.074 -15.210 1.00 1.43 H new ATOM 952 N ALA A 61 -24.241 -15.669 -16.123 1.00 0.51 N ATOM 953 CA ALA A 61 -24.597 -14.256 -15.991 1.00 0.35 C ATOM 954 C ALA A 61 -25.026 -13.707 -17.352 1.00 0.35 C ATOM 955 O ALA A 61 -24.361 -13.953 -18.362 1.00 0.43 O ATOM 956 CB ALA A 61 -23.391 -13.468 -15.462 1.00 0.31 C ATOM 0 H ALA A 61 -23.273 -15.824 -16.405 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.424 -14.153 -15.289 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.658 -12.416 -15.364 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.099 -13.860 -14.488 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.558 -13.568 -16.158 1.00 0.31 H new ATOM 962 N ILE A 62 -26.126 -12.957 -17.379 1.00 0.34 N ATOM 963 CA ILE A 62 -26.627 -12.364 -18.622 1.00 0.37 C ATOM 964 C ILE A 62 -25.911 -11.037 -18.856 1.00 0.31 C ATOM 965 O ILE A 62 -25.763 -10.232 -17.930 1.00 0.31 O ATOM 966 CB ILE A 62 -28.141 -12.154 -18.546 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.849 -13.457 -18.149 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.687 -11.642 -19.880 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.215 -13.471 -16.669 1.00 1.27 C ATOM 0 H ILE A 62 -26.689 -12.744 -16.555 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.428 -13.038 -19.455 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.338 -11.403 -17.781 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.751 -13.578 -18.748 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.202 -14.305 -18.372 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.765 -11.500 -19.802 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.213 -10.692 -20.127 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.473 -12.369 -20.664 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.714 -14.409 -16.427 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.310 -13.376 -16.069 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -29.883 -12.638 -16.452 1.00 1.27 H new ATOM 981 N CYS A 63 -25.454 -10.817 -20.083 1.00 0.34 N ATOM 982 CA CYS A 63 -24.724 -9.595 -20.428 1.00 0.33 C ATOM 983 C CYS A 63 -25.278 -8.952 -21.705 1.00 0.34 C ATOM 984 O CYS A 63 -25.720 -9.641 -22.629 1.00 0.52 O ATOM 985 CB CYS A 63 -23.232 -9.925 -20.591 1.00 0.37 C ATOM 986 SG CYS A 63 -22.173 -8.482 -20.385 1.00 0.53 S ATOM 0 H CYS A 63 -25.574 -11.468 -20.859 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.851 -8.873 -19.621 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.950 -10.684 -19.861 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.065 -10.355 -21.579 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.864 -7.506 -19.875 1.00 0.53 H new ATOM 992 N GLU A 64 -25.231 -7.618 -21.744 1.00 0.26 N ATOM 993 CA GLU A 64 -25.699 -6.827 -22.891 1.00 0.29 C ATOM 994 C GLU A 64 -24.692 -5.710 -23.178 1.00 0.24 C ATOM 995 O GLU A 64 -23.954 -5.296 -22.285 1.00 0.36 O ATOM 996 CB GLU A 64 -27.077 -6.219 -22.599 1.00 0.33 C ATOM 997 CG GLU A 64 -28.143 -7.297 -22.398 1.00 0.81 C ATOM 998 CD GLU A 64 -29.530 -6.712 -22.626 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.934 -5.816 -21.856 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.222 -7.158 -23.562 1.00 1.83 O ATOM 0 H GLU A 64 -24.866 -7.051 -20.979 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.785 -7.479 -23.760 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.018 -5.596 -21.707 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.369 -5.568 -23.423 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.970 -8.123 -23.088 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.073 -7.705 -21.389 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.660 -5.219 -24.414 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.734 -4.145 -24.799 1.00 0.32 C ATOM 1009 C VAL A 65 -24.436 -2.782 -24.741 1.00 0.31 C ATOM 1010 O VAL A 65 -25.609 -2.658 -25.103 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.185 -4.406 -26.212 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.076 -3.409 -26.564 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.668 -5.844 -26.336 1.00 0.39 C ATOM 0 H VAL A 65 -25.263 -5.544 -25.170 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.902 -4.131 -24.095 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.003 -4.269 -26.919 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.706 -3.616 -27.568 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.473 -2.395 -26.526 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.259 -3.506 -25.849 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.284 -6.007 -27.343 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.869 -6.007 -25.613 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.482 -6.542 -26.141 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.700 -1.770 -24.288 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.193 -0.395 -24.169 1.00 0.31 C ATOM 1025 C ALA A 66 -23.190 0.548 -24.844 1.00 0.34 C ATOM 1026 O ALA A 66 -22.233 1.015 -24.223 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.368 -0.024 -22.693 1.00 0.36 C ATOM 0 H ALA A 66 -22.731 -1.881 -23.989 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.163 -0.305 -24.658 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.735 1.000 -22.616 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.085 -0.702 -22.230 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.409 -0.105 -22.181 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.404 0.789 -26.134 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.520 1.642 -26.941 1.00 0.71 C ATOM 1035 C LEU A 67 -22.760 3.138 -26.669 1.00 0.89 C ATOM 1036 O LEU A 67 -21.814 3.928 -26.641 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.745 1.335 -28.438 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.429 1.231 -29.226 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.568 2.481 -29.037 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -20.655 -0.037 -28.840 1.00 1.38 C ATOM 0 H LEU A 67 -24.192 0.402 -26.654 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.489 1.422 -26.663 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.296 0.400 -28.534 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.365 2.117 -28.876 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.681 1.161 -30.284 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.645 2.376 -29.607 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -21.115 3.356 -29.389 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.330 2.603 -27.980 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.728 -0.086 -29.412 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -20.423 -0.012 -27.775 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -21.263 -0.915 -29.058 1.00 1.38 H new ATOM 1052 N ASP A 68 -24.026 3.523 -26.498 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.401 4.927 -26.269 1.00 1.14 C ATOM 1054 C ASP A 68 -25.081 5.107 -24.904 1.00 0.87 C ATOM 1055 O ASP A 68 -26.303 5.239 -24.821 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.333 5.376 -27.415 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.631 6.875 -27.362 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.682 7.682 -27.246 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.818 7.252 -27.453 1.00 2.62 O ATOM 0 H ASP A 68 -24.817 2.879 -26.513 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.504 5.546 -26.259 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.873 5.132 -28.372 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.268 4.819 -27.360 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.278 5.123 -23.836 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.781 5.306 -22.470 1.00 0.69 C ATOM 1066 C TYR A 69 -24.085 6.502 -21.805 1.00 0.97 C ATOM 1067 O TYR A 69 -23.342 6.337 -20.834 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.543 4.034 -21.647 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.187 4.108 -20.280 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.566 4.157 -20.161 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.399 4.103 -19.142 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.155 4.193 -18.909 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.990 4.146 -17.890 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.364 4.294 -17.784 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.959 4.219 -16.536 1.00 0.97 O ATOM 0 H TYR A 69 -23.266 5.010 -23.892 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.852 5.503 -22.514 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.940 3.174 -22.187 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.471 3.872 -21.533 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.183 4.167 -21.047 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.323 4.066 -19.230 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.230 4.142 -18.814 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.383 4.065 -17.000 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.757 3.653 -16.588 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.326 7.706 -22.344 1.00 1.40 N ATOM 1086 CA LYS A 70 -23.732 8.957 -21.831 1.00 1.81 C ATOM 1087 C LYS A 70 -22.246 9.019 -22.194 1.00 1.82 C ATOM 1088 O LYS A 70 -21.814 9.890 -22.952 1.00 2.53 O ATOM 1089 CB LYS A 70 -23.946 9.098 -20.310 1.00 2.43 C ATOM 1090 CG LYS A 70 -25.386 8.725 -19.907 1.00 2.98 C ATOM 1091 CD LYS A 70 -25.858 9.517 -18.685 1.00 3.79 C ATOM 1092 CE LYS A 70 -27.386 9.532 -18.582 1.00 4.45 C ATOM 1093 NZ LYS A 70 -28.000 10.407 -19.618 1.00 4.84 N ATOM 0 H LYS A 70 -24.938 7.844 -23.148 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.238 9.799 -22.304 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.241 8.457 -19.781 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -23.735 10.123 -20.005 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.058 8.914 -20.744 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.438 7.658 -19.691 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -25.436 9.079 -17.781 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -25.486 10.540 -18.747 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -27.768 8.517 -18.690 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -27.680 9.879 -17.592 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -28.992 10.596 -19.369 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -27.478 11.305 -19.668 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -27.960 9.932 -20.542 1.00 4.84 H new ATOM 1107 N LYS A 71 -21.482 8.054 -21.694 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.058 7.943 -21.998 1.00 2.22 C ATOM 1109 C LYS A 71 -19.928 7.089 -23.257 1.00 2.19 C ATOM 1110 O LYS A 71 -19.903 5.855 -23.183 1.00 2.78 O ATOM 1111 CB LYS A 71 -19.302 7.301 -20.824 1.00 2.97 C ATOM 1112 CG LYS A 71 -19.495 8.094 -19.524 1.00 3.56 C ATOM 1113 CD LYS A 71 -18.374 7.815 -18.514 1.00 4.44 C ATOM 1114 CE LYS A 71 -18.753 6.694 -17.540 1.00 5.27 C ATOM 1115 NZ LYS A 71 -17.580 6.244 -16.730 1.00 5.62 N ATOM 0 H LYS A 71 -21.830 7.328 -21.068 1.00 1.80 H new ATOM 0 HA LYS A 71 -19.622 8.929 -22.159 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -19.651 6.278 -20.682 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -18.240 7.245 -21.062 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -19.524 9.160 -19.750 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -20.457 7.836 -19.080 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -17.464 7.541 -19.047 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -18.154 8.724 -17.954 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -19.543 7.042 -16.874 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -19.156 5.848 -18.098 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -17.900 5.585 -15.992 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -16.894 5.766 -17.348 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -17.129 7.069 -16.285 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.898 7.753 -24.413 1.00 2.22 N ATOM 1130 CA LYS A 72 -19.823 7.084 -25.719 1.00 2.54 C ATOM 1131 C LYS A 72 -18.453 6.431 -25.937 1.00 1.92 C ATOM 1132 O LYS A 72 -17.619 6.926 -26.702 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.119 8.097 -26.834 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.483 8.771 -26.636 1.00 4.59 C ATOM 1135 CD LYS A 72 -21.729 9.872 -27.674 1.00 5.67 C ATOM 1136 CE LYS A 72 -21.846 9.310 -29.094 1.00 6.56 C ATOM 1137 NZ LYS A 72 -22.930 8.291 -29.198 1.00 7.03 N ATOM 0 H LYS A 72 -19.925 8.771 -24.474 1.00 2.22 H new ATOM 0 HA LYS A 72 -20.570 6.291 -25.742 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.337 8.856 -26.854 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -20.098 7.592 -27.800 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -22.272 8.022 -26.706 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -21.536 9.197 -25.634 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -22.643 10.410 -27.421 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.913 10.594 -27.636 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -22.044 10.124 -29.792 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -20.897 8.862 -29.387 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -23.449 8.426 -30.089 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -22.514 7.338 -29.181 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.584 8.397 -28.396 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.240 5.312 -25.254 1.00 1.52 N ATOM 1152 CA LYS A 73 -16.999 4.546 -25.337 1.00 1.35 C ATOM 1153 C LYS A 73 -17.344 3.083 -25.621 1.00 1.05 C ATOM 1154 O LYS A 73 -17.606 2.715 -26.766 1.00 1.79 O ATOM 1155 CB LYS A 73 -16.215 4.679 -24.022 1.00 1.94 C ATOM 1156 CG LYS A 73 -15.772 6.122 -23.771 1.00 2.32 C ATOM 1157 CD LYS A 73 -15.420 6.353 -22.299 1.00 2.93 C ATOM 1158 CE LYS A 73 -14.217 7.288 -22.156 1.00 3.52 C ATOM 1159 NZ LYS A 73 -12.942 6.600 -22.515 1.00 3.96 N ATOM 0 H LYS A 73 -18.929 4.906 -24.621 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.373 4.929 -26.143 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -16.835 4.339 -23.193 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -15.340 4.030 -24.053 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -14.907 6.352 -24.393 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -16.568 6.805 -24.067 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -16.279 6.779 -21.780 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -15.200 5.398 -21.821 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -14.354 8.159 -22.797 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -14.158 7.653 -21.130 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -12.137 7.215 -22.279 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -12.866 5.710 -21.982 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -12.933 6.395 -23.535 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.363 2.267 -24.570 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.691 0.845 -24.674 1.00 0.38 C ATOM 1175 C HIS A 74 -18.123 0.341 -23.298 1.00 0.30 C ATOM 1176 O HIS A 74 -17.285 -0.065 -22.483 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.480 0.042 -25.188 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.503 -0.184 -26.672 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.505 0.234 -27.512 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -17.413 -0.783 -27.486 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.770 -0.082 -28.755 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.935 -0.710 -28.780 1.00 1.53 N ATOM 0 H HIS A 74 -17.151 2.572 -23.620 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.504 0.710 -25.387 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.564 0.570 -24.922 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.451 -0.923 -24.681 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -18.344 -1.235 -27.176 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.147 0.132 -29.611 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -17.399 -1.077 -29.611 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.430 0.379 -23.043 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.007 -0.070 -21.769 1.00 0.23 C ATOM 1192 C VAL A 75 -20.851 -1.322 -22.013 1.00 0.22 C ATOM 1193 O VAL A 75 -21.376 -1.520 -23.108 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.881 1.053 -21.163 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.614 0.584 -19.901 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.037 2.282 -20.834 1.00 0.31 C ATOM 0 H VAL A 75 -20.121 0.721 -23.711 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.207 -0.306 -21.067 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.625 1.317 -21.915 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.217 1.401 -19.506 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.261 -0.258 -20.148 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.886 0.275 -19.151 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.674 3.058 -20.409 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.265 2.011 -20.113 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.568 2.656 -21.744 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.000 -2.159 -20.991 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.810 -3.374 -21.096 1.00 0.23 C ATOM 1208 C PHE A 76 -22.547 -3.617 -19.780 1.00 0.22 C ATOM 1209 O PHE A 76 -21.992 -3.440 -18.692 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.960 -4.594 -21.504 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.790 -4.907 -20.589 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.574 -4.267 -20.771 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.940 -5.818 -19.553 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.514 -4.534 -19.919 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.879 -6.087 -18.704 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.639 -5.516 -18.947 1.00 0.29 C ATOM 0 H PHE A 76 -20.570 -2.020 -20.077 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.546 -3.232 -21.887 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.609 -5.469 -21.549 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.578 -4.429 -22.511 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.452 -3.559 -21.578 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.886 -6.318 -19.408 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.592 -3.979 -20.012 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.017 -6.740 -17.855 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.775 -5.834 -18.383 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.812 -4.012 -19.893 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.663 -4.280 -18.736 1.00 0.28 C ATOM 1228 C LYS A 77 -24.514 -5.737 -18.314 1.00 0.31 C ATOM 1229 O LYS A 77 -24.453 -6.634 -19.157 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.121 -3.970 -19.079 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.032 -4.085 -17.854 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.328 -3.288 -18.048 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.494 -3.889 -17.241 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.023 -2.944 -16.215 1.00 1.95 N ATOM 0 H LYS A 77 -24.277 -4.156 -20.789 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.357 -3.641 -17.907 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.191 -2.963 -19.490 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.466 -4.655 -19.853 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.271 -5.133 -17.672 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.507 -3.720 -16.972 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.168 -2.254 -17.742 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.589 -3.270 -19.106 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -30.298 -4.168 -17.922 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.160 -4.803 -16.751 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.337 -3.478 -15.380 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.274 -2.277 -15.938 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.827 -2.417 -16.611 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.441 -5.952 -17.010 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.278 -7.285 -16.434 1.00 0.24 C ATOM 1250 C LEU A 78 -25.387 -7.573 -15.420 1.00 0.29 C ATOM 1251 O LEU A 78 -25.548 -6.839 -14.442 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.902 -7.376 -15.741 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.008 -8.444 -16.370 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.672 -8.512 -15.630 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.692 -9.815 -16.376 1.00 0.30 C ATOM 0 H LEU A 78 -24.493 -5.207 -16.316 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.339 -8.025 -17.232 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.404 -6.408 -15.798 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.044 -7.600 -14.684 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.825 -8.164 -17.407 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.042 -9.276 -16.086 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.172 -7.545 -15.692 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.848 -8.763 -14.584 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.028 -10.551 -16.830 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -22.918 -10.113 -15.352 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.617 -9.758 -16.950 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.108 -8.672 -15.639 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.168 -9.126 -14.733 1.00 0.40 C ATOM 1269 C ARG A 79 -26.678 -10.425 -14.097 1.00 0.45 C ATOM 1270 O ARG A 79 -26.699 -11.485 -14.728 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.486 -9.350 -15.490 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.674 -9.473 -14.528 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.948 -9.933 -15.251 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.809 -8.784 -15.575 1.00 1.91 N ATOM 1275 CZ ARG A 79 -33.054 -8.687 -15.103 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.996 -9.515 -15.540 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.349 -7.754 -14.211 1.00 2.99 N ATOM 0 H ARG A 79 -25.975 -9.275 -16.451 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.372 -8.373 -13.972 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.657 -8.521 -16.177 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.411 -10.254 -16.094 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.429 -10.182 -13.737 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.855 -8.511 -14.049 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.681 -10.463 -16.166 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.494 -10.637 -14.623 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.445 -8.044 -16.175 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.768 -10.225 -16.236 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.947 -9.441 -15.179 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.626 -7.112 -13.886 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -34.299 -7.677 -13.848 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.188 -10.318 -12.866 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.633 -11.461 -12.141 1.00 0.68 C ATOM 1293 C LEU A 80 -26.732 -12.370 -11.597 1.00 0.84 C ATOM 1294 O LEU A 80 -27.774 -11.897 -11.136 1.00 1.06 O ATOM 1295 CB LEU A 80 -24.757 -10.966 -10.980 1.00 0.82 C ATOM 1296 CG LEU A 80 -23.761 -9.883 -11.414 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -22.759 -9.608 -10.293 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.020 -10.288 -12.684 1.00 1.26 C ATOM 0 H LEU A 80 -26.163 -9.443 -12.343 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.031 -12.039 -12.842 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.396 -10.571 -10.190 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.210 -11.809 -10.557 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.326 -8.975 -11.625 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.057 -8.838 -10.613 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.291 -9.268 -9.405 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -22.213 -10.522 -10.061 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.322 -9.499 -12.965 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.471 -11.212 -12.506 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.737 -10.442 -13.490 1.00 1.26 H new ATOM 1310 N SER A 81 -26.465 -13.678 -11.624 1.00 1.01 N ATOM 1311 CA SER A 81 -27.392 -14.698 -11.115 1.00 1.23 C ATOM 1312 C SER A 81 -27.422 -14.690 -9.573 1.00 1.40 C ATOM 1313 O SER A 81 -28.144 -15.471 -8.953 1.00 1.92 O ATOM 1314 CB SER A 81 -26.972 -16.084 -11.640 1.00 1.52 C ATOM 1315 OG SER A 81 -25.562 -16.156 -11.855 1.00 2.18 O ATOM 0 H SER A 81 -25.598 -14.063 -12.000 1.00 1.01 H new ATOM 0 HA SER A 81 -28.397 -14.470 -11.470 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.272 -16.851 -10.926 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.495 -16.295 -12.573 1.00 1.52 H new ATOM 0 HG SER A 81 -25.331 -17.035 -12.222 1.00 2.18 H new ATOM 1321 N ASP A 82 -26.647 -13.778 -8.971 1.00 1.33 N ATOM 1322 CA ASP A 82 -26.578 -13.617 -7.513 1.00 1.76 C ATOM 1323 C ASP A 82 -27.712 -12.697 -7.038 1.00 1.31 C ATOM 1324 O ASP A 82 -28.061 -12.679 -5.858 1.00 1.74 O ATOM 1325 CB ASP A 82 -25.213 -13.014 -7.132 1.00 2.76 C ATOM 1326 CG ASP A 82 -24.859 -13.302 -5.673 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -25.343 -12.579 -4.783 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -24.083 -14.246 -5.417 1.00 3.77 O ATOM 0 H ASP A 82 -26.049 -13.130 -9.483 1.00 1.33 H new ATOM 0 HA ASP A 82 -26.689 -14.589 -7.032 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -24.440 -13.423 -7.782 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -25.232 -11.937 -7.297 1.00 2.76 H new ATOM 1333 N GLY A 83 -28.279 -11.934 -7.980 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.371 -11.000 -7.703 1.00 1.53 C ATOM 1335 C GLY A 83 -28.852 -9.565 -7.619 1.00 1.31 C ATOM 1336 O GLY A 83 -29.233 -8.815 -6.693 1.00 1.88 O ATOM 0 H GLY A 83 -27.991 -11.949 -8.958 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.125 -11.073 -8.487 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -29.858 -11.271 -6.766 1.00 1.53 H new ATOM 1340 N ASN A 84 -27.990 -9.178 -8.593 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.418 -7.825 -8.646 1.00 0.71 C ATOM 1342 C ASN A 84 -27.239 -7.416 -10.104 1.00 0.62 C ATOM 1343 O ASN A 84 -27.043 -8.277 -10.972 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.049 -7.778 -7.939 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.194 -7.763 -6.415 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.061 -7.083 -5.866 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.335 -8.505 -5.729 1.00 1.32 N ATOM 0 H ASN A 84 -27.681 -9.790 -9.348 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.097 -7.140 -8.138 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.456 -8.642 -8.239 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.505 -6.890 -8.261 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.379 -8.526 -4.710 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -24.630 -9.055 -6.220 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.296 -6.106 -10.364 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.131 -5.551 -11.715 1.00 0.55 C ATOM 1356 C GLU A 85 -26.028 -4.485 -11.703 1.00 0.47 C ATOM 1357 O GLU A 85 -25.997 -3.633 -10.807 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.447 -4.926 -12.189 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.466 -5.990 -12.603 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.635 -5.348 -13.345 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.430 -4.305 -14.000 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.757 -5.880 -13.283 1.00 1.39 O ATOM 0 H GLU A 85 -27.458 -5.400 -9.646 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.852 -6.353 -12.398 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.866 -4.313 -11.391 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.251 -4.263 -13.032 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.987 -6.733 -13.240 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.832 -6.515 -11.721 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.130 -4.527 -12.692 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.022 -3.560 -12.786 1.00 0.31 C ATOM 1371 C TYR A 86 -23.738 -3.165 -14.239 1.00 0.29 C ATOM 1372 O TYR A 86 -23.953 -3.953 -15.162 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.727 -4.168 -12.222 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.772 -4.550 -10.762 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -22.483 -3.611 -9.787 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.065 -5.853 -10.398 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -22.487 -3.974 -8.451 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.074 -6.213 -9.063 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.783 -5.273 -8.096 1.00 0.63 C ATOM 1380 OH TYR A 86 -22.778 -5.635 -6.769 1.00 0.77 O ATOM 0 H TYR A 86 -25.145 -5.219 -13.441 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.326 -2.683 -12.214 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.479 -5.055 -12.805 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -21.917 -3.454 -12.368 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.254 -2.594 -10.069 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.287 -6.589 -11.157 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -22.259 -3.243 -7.690 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.308 -7.228 -8.778 1.00 0.62 H new ATOM 0 HH TYR A 86 -22.961 -4.848 -6.215 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.176 -1.965 -14.409 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.746 -1.453 -15.716 1.00 0.23 C ATOM 1392 C LEU A 87 -21.223 -1.435 -15.691 1.00 0.22 C ATOM 1393 O LEU A 87 -20.633 -0.871 -14.760 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.251 -0.027 -15.978 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.770 0.052 -16.120 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.181 1.399 -16.712 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.306 -1.093 -16.974 1.00 0.38 C ATOM 0 H LEU A 87 -23.005 -1.317 -13.640 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.151 -2.087 -16.505 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.934 0.621 -15.161 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.786 0.356 -16.887 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.206 -0.041 -15.125 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.266 1.439 -16.807 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.844 2.202 -16.057 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.726 1.518 -17.696 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.390 -1.009 -17.056 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.862 -1.044 -17.968 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.050 -2.045 -16.508 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.590 -2.060 -16.677 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.131 -2.130 -16.739 1.00 0.19 C ATOM 1411 C PHE A 88 -18.601 -1.424 -17.985 1.00 0.20 C ATOM 1412 O PHE A 88 -19.091 -1.648 -19.088 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.686 -3.592 -16.725 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.773 -4.212 -15.349 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.790 -3.956 -14.408 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.834 -5.044 -15.033 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.867 -4.533 -13.154 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.911 -5.620 -13.778 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.937 -5.330 -12.823 1.00 0.22 C ATOM 0 H PHE A 88 -21.065 -2.528 -17.449 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.721 -1.621 -15.867 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.305 -4.163 -17.417 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.660 -3.659 -17.086 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.963 -3.306 -14.654 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.601 -5.243 -15.767 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.084 -4.357 -12.432 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.722 -6.292 -13.539 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.023 -5.731 -11.824 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.590 -0.578 -17.793 1.00 0.23 N ATOM 1430 CA GLN A 89 -16.963 0.170 -18.891 1.00 0.26 C ATOM 1431 C GLN A 89 -15.522 -0.294 -19.083 1.00 0.22 C ATOM 1432 O GLN A 89 -14.741 -0.340 -18.126 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.982 1.674 -18.589 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.615 2.513 -19.820 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.497 3.986 -19.432 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.442 4.760 -19.584 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.337 4.373 -18.930 1.00 1.63 N ATOM 0 H GLN A 89 -17.181 -0.390 -16.878 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.527 -0.017 -19.805 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.973 1.961 -18.238 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.283 1.890 -17.781 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.673 2.163 -20.241 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.374 2.392 -20.593 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.579 3.700 -18.820 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.200 5.345 -18.652 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.181 -0.617 -20.331 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.833 -1.065 -20.700 1.00 0.24 C ATOM 1448 C ALA A 90 -13.048 0.094 -21.319 1.00 0.27 C ATOM 1449 O ALA A 90 -13.590 1.187 -21.531 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.927 -2.231 -21.698 1.00 0.29 C ATOM 0 H ALA A 90 -15.830 -0.576 -21.117 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.312 -1.405 -19.805 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.924 -2.560 -21.969 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.469 -3.059 -21.241 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.455 -1.902 -22.593 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.774 -0.144 -21.622 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.919 0.878 -22.233 1.00 0.44 C ATOM 1458 C LYS A 91 -10.849 0.657 -23.740 1.00 0.49 C ATOM 1459 O LYS A 91 -11.026 1.593 -24.523 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.491 0.845 -21.661 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.450 0.589 -20.150 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.613 -0.655 -19.838 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.982 -1.278 -18.496 1.00 1.86 C ATOM 1464 NZ LYS A 91 -10.404 -1.710 -18.451 1.00 2.29 N ATOM 0 H LYS A 91 -11.308 -1.036 -21.455 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.359 1.850 -22.008 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.921 0.068 -22.170 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.999 1.794 -21.875 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.028 1.455 -19.640 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.463 0.457 -19.770 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.752 -1.392 -20.629 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.556 -0.388 -19.834 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.337 -2.136 -18.306 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.797 -0.557 -17.699 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -10.810 -1.470 -17.524 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -10.938 -1.224 -19.199 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -10.459 -2.738 -18.598 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.568 -0.587 -24.131 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.437 -0.960 -25.552 1.00 0.66 C ATOM 1480 C ASP A 92 -11.631 -1.793 -26.036 1.00 0.59 C ATOM 1481 O ASP A 92 -12.272 -2.506 -25.256 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.133 -1.758 -25.752 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.791 -1.901 -27.235 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.108 -1.016 -27.785 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.200 -2.905 -27.850 1.00 2.01 O ATOM 0 H ASP A 92 -10.425 -1.362 -23.484 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.413 -0.043 -26.140 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.315 -1.257 -25.235 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.236 -2.746 -25.304 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.889 -1.714 -27.348 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.969 -2.465 -28.018 1.00 0.63 C ATOM 1492 C ASP A 93 -12.754 -3.975 -27.829 1.00 0.49 C ATOM 1493 O ASP A 93 -13.686 -4.722 -27.501 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.959 -2.111 -29.521 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.223 -2.584 -30.244 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.817 -3.596 -29.808 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.637 -1.949 -31.232 1.00 2.21 O ATOM 0 H ASP A 93 -11.352 -1.123 -27.983 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.932 -2.197 -27.583 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.861 -1.031 -29.636 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.085 -2.562 -29.991 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.501 -4.405 -28.009 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.108 -5.808 -27.850 1.00 0.41 C ATOM 1504 C GLU A 94 -11.333 -6.260 -26.401 1.00 0.36 C ATOM 1505 O GLU A 94 -11.832 -7.358 -26.153 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.628 -5.971 -28.233 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.204 -7.443 -28.324 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.690 -7.548 -28.471 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.124 -6.863 -29.348 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.063 -8.309 -27.706 1.00 2.59 O ATOM 0 H GLU A 94 -10.731 -3.789 -28.269 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.719 -6.429 -28.505 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.448 -5.484 -29.192 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.007 -5.462 -27.496 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.528 -7.978 -27.431 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.693 -7.918 -29.175 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.973 -5.388 -25.453 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.133 -5.663 -24.020 1.00 0.29 C ATOM 1519 C GLU A 95 -12.603 -5.926 -23.679 1.00 0.24 C ATOM 1520 O GLU A 95 -12.924 -6.912 -23.017 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.618 -4.480 -23.194 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.224 -4.912 -21.775 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.487 -3.802 -20.762 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.739 -2.644 -21.165 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.440 -4.082 -19.551 1.00 1.30 O ATOM 0 H GLU A 95 -10.564 -4.476 -25.655 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.552 -6.553 -23.778 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.757 -4.035 -23.692 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.388 -3.710 -23.140 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.786 -5.803 -21.495 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.168 -5.182 -21.755 1.00 0.42 H new ATOM 1532 N MET A 96 -13.488 -5.038 -24.149 1.00 0.24 N ATOM 1533 CA MET A 96 -14.935 -5.164 -23.909 1.00 0.22 C ATOM 1534 C MET A 96 -15.454 -6.520 -24.411 1.00 0.22 C ATOM 1535 O MET A 96 -16.201 -7.205 -23.713 1.00 0.23 O ATOM 1536 CB MET A 96 -15.691 -4.020 -24.600 1.00 0.26 C ATOM 1537 CG MET A 96 -17.052 -3.776 -23.939 1.00 0.39 C ATOM 1538 SD MET A 96 -18.227 -2.961 -25.034 1.00 0.94 S ATOM 1539 CE MET A 96 -18.726 -4.327 -26.097 1.00 0.77 C ATOM 0 H MET A 96 -13.228 -4.220 -24.700 1.00 0.24 H new ATOM 0 HA MET A 96 -15.110 -5.105 -22.835 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.095 -3.109 -24.558 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.833 -4.259 -25.654 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.468 -4.729 -23.613 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.913 -3.167 -23.046 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.937 -3.951 -27.098 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.922 -5.061 -26.147 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.622 -4.796 -25.690 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.025 -6.903 -25.618 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.416 -8.185 -26.227 1.00 0.28 C ATOM 1551 C ASN A 97 -14.879 -9.359 -25.388 1.00 0.26 C ATOM 1552 O ASN A 97 -15.584 -10.341 -25.149 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.876 -8.255 -27.668 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.548 -9.370 -28.476 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.565 -9.934 -28.069 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.981 -9.683 -29.633 1.00 1.24 N ATOM 0 H ASN A 97 -14.402 -6.341 -26.198 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.503 -8.256 -26.253 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.039 -7.298 -28.164 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.799 -8.422 -27.645 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.387 -10.413 -30.219 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.139 -9.194 -29.937 1.00 1.24 H new ATOM 1563 N THR A 98 -13.631 -9.234 -24.922 1.00 0.25 N ATOM 1564 CA THR A 98 -12.990 -10.263 -24.088 1.00 0.27 C ATOM 1565 C THR A 98 -13.730 -10.415 -22.748 1.00 0.23 C ATOM 1566 O THR A 98 -13.954 -11.531 -22.283 1.00 0.27 O ATOM 1567 CB THR A 98 -11.513 -9.897 -23.835 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.886 -9.494 -25.049 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.744 -11.068 -23.217 1.00 0.39 C ATOM 0 H THR A 98 -13.039 -8.425 -25.109 1.00 0.25 H new ATOM 0 HA THR A 98 -13.036 -11.214 -24.619 1.00 0.27 H new ATOM 0 HB THR A 98 -11.496 -9.067 -23.128 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.051 -8.540 -25.201 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.707 -10.776 -23.052 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.200 -11.341 -22.265 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.777 -11.922 -23.893 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.112 -9.289 -22.135 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.828 -9.291 -20.849 1.00 0.20 C ATOM 1579 C TRP A 99 -16.186 -9.990 -20.977 1.00 0.21 C ATOM 1580 O TRP A 99 -16.479 -10.923 -20.232 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.033 -7.850 -20.353 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.856 -7.306 -19.582 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.073 -6.240 -19.931 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.328 -7.794 -18.322 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.114 -6.063 -18.975 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.237 -6.981 -17.983 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.670 -8.834 -17.452 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.497 -7.176 -16.825 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.935 -9.034 -16.291 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.858 -8.211 -15.980 1.00 0.29 C ATOM 0 H TRP A 99 -13.937 -8.357 -22.510 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.222 -9.839 -20.128 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.227 -7.204 -21.209 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.920 -7.815 -19.720 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.194 -5.636 -20.818 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.399 -5.336 -19.003 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.504 -9.480 -17.683 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.660 -6.536 -16.589 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.203 -9.838 -15.622 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.299 -8.381 -15.072 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.010 -9.526 -21.921 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.352 -10.091 -22.155 1.00 0.24 C ATOM 1603 C ILE A 100 -18.292 -11.609 -22.389 1.00 0.28 C ATOM 1604 O ILE A 100 -19.059 -12.369 -21.789 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.014 -9.381 -23.348 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.348 -7.932 -22.976 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.283 -10.118 -23.795 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.834 -7.135 -24.183 1.00 0.29 C ATOM 0 H ILE A 100 -16.773 -8.754 -22.543 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.954 -9.925 -21.262 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.310 -9.385 -24.180 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.115 -7.923 -22.202 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.465 -7.452 -22.555 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.730 -9.594 -24.640 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.027 -11.135 -24.093 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.995 -10.150 -22.970 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.060 -6.113 -23.877 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.057 -7.121 -24.947 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.733 -7.600 -24.588 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.374 -12.046 -23.255 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.209 -13.472 -23.562 1.00 0.35 C ATOM 1622 C GLN A 101 -16.635 -14.230 -22.356 1.00 0.36 C ATOM 1623 O GLN A 101 -17.093 -15.327 -22.033 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.300 -13.649 -24.780 1.00 0.40 C ATOM 1625 CG GLN A 101 -17.020 -13.234 -26.069 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.226 -13.677 -27.296 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -15.784 -14.823 -27.383 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.043 -12.774 -28.245 1.00 1.76 N ATOM 0 H GLN A 101 -16.732 -11.433 -23.757 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.191 -13.888 -23.790 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.398 -13.051 -24.655 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.985 -14.690 -24.854 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -18.016 -13.677 -26.094 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -17.152 -12.152 -26.086 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.425 -11.835 -28.136 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.520 -13.017 -29.086 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.642 -13.638 -21.685 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.011 -14.252 -20.505 1.00 0.37 C ATOM 1639 C ALA A 102 -16.012 -14.384 -19.351 1.00 0.38 C ATOM 1640 O ALA A 102 -15.971 -15.354 -18.602 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.809 -13.419 -20.056 1.00 0.38 C ATOM 0 H ALA A 102 -15.254 -12.729 -21.938 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.674 -15.250 -20.784 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.351 -13.883 -19.183 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.080 -13.368 -20.864 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.139 -12.412 -19.801 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.911 -13.406 -19.225 1.00 0.33 N ATOM 1648 CA ILE A 103 -17.943 -13.400 -18.177 1.00 0.38 C ATOM 1649 C ILE A 103 -18.972 -14.509 -18.436 1.00 0.47 C ATOM 1650 O ILE A 103 -19.371 -15.221 -17.519 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.625 -12.017 -18.135 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.717 -11.000 -17.428 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -19.997 -12.070 -17.448 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -17.981 -9.576 -17.910 1.00 0.35 C ATOM 0 H ILE A 103 -16.947 -12.596 -19.843 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.478 -13.592 -17.210 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.789 -11.702 -19.166 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.878 -11.055 -16.351 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.673 -11.257 -17.608 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.439 -11.074 -17.442 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.650 -12.754 -17.991 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.877 -12.420 -16.423 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.319 -8.886 -17.386 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.795 -9.514 -18.982 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.018 -9.309 -17.706 1.00 0.35 H new ATOM 1666 N SER A 104 -19.397 -14.642 -19.696 1.00 0.53 N ATOM 1667 CA SER A 104 -20.383 -15.658 -20.094 1.00 0.66 C ATOM 1668 C SER A 104 -19.802 -17.078 -20.005 1.00 0.72 C ATOM 1669 O SER A 104 -20.510 -18.024 -19.658 1.00 0.89 O ATOM 1670 CB SER A 104 -20.856 -15.389 -21.530 1.00 0.81 C ATOM 1671 OG SER A 104 -21.276 -14.036 -21.683 1.00 1.05 O ATOM 0 H SER A 104 -19.072 -14.055 -20.465 1.00 0.53 H new ATOM 0 HA SER A 104 -21.225 -15.592 -19.405 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.048 -15.604 -22.229 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.679 -16.059 -21.777 1.00 0.81 H new ATOM 0 HG SER A 104 -20.490 -13.453 -21.734 1.00 1.05 H new ATOM 1677 N SER A 105 -18.517 -17.221 -20.337 1.00 0.80 N ATOM 1678 CA SER A 105 -17.838 -18.526 -20.314 1.00 1.13 C ATOM 1679 C SER A 105 -17.332 -18.880 -18.908 1.00 1.23 C ATOM 1680 O SER A 105 -17.403 -20.039 -18.498 1.00 1.61 O ATOM 1681 CB SER A 105 -16.661 -18.516 -21.299 1.00 1.48 C ATOM 1682 OG SER A 105 -17.047 -17.934 -22.540 1.00 1.63 O ATOM 0 H SER A 105 -17.920 -16.447 -20.627 1.00 0.80 H new ATOM 0 HA SER A 105 -18.564 -19.284 -20.609 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.829 -17.956 -20.873 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.309 -19.535 -21.463 1.00 1.48 H new ATOM 0 HG SER A 105 -16.864 -16.971 -22.521 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.810 -17.879 -18.188 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.269 -18.056 -16.834 1.00 1.59 C ATOM 1690 C ALA A 106 -15.059 -18.994 -16.852 1.00 2.40 C ATOM 1691 O ALA A 106 -15.007 -19.938 -16.043 1.00 3.00 O ATOM 1692 CB ALA A 106 -17.356 -18.574 -15.885 1.00 1.90 C ATOM 1693 OXT ALA A 106 -14.160 -18.797 -17.696 1.00 3.05 O ATOM 0 H ALA A 106 -16.751 -16.920 -18.529 1.00 1.29 H new ATOM 0 HA ALA A 106 -15.934 -17.086 -16.466 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -16.938 -18.699 -14.886 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.177 -17.858 -15.847 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -17.727 -19.533 -16.246 1.00 1.90 H new TER 1699 ALA A 106