USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=35 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 X(o=-0.055,f=0) USER MOD Set 1.2: A 101 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.579 K(o=1,f=-1.5) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.455 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.994 K(o=2.2,f=-1.2) USER MOD Set 3.2: A 50 TYR OH : rot 147:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.043) 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=-1.2!) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.054) USER MOD Single : A 9 HIS : +bothHN:sc= -0.991! C(o=-0.99!,f=-3.5!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0103 (180deg=-0.188) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 0.763 (180deg=0.392) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -3:sc= 1 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 28 CYS SG : rot -82:sc= 0.342 USER MOD Single : A 31 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.15) USER MOD Single : A 32 ASN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -143:sc= -0.276 (180deg=-3.45!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00486) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0136) USER MOD Single : A 43 SER OG : rot 84:sc= 0.558 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -92:sc= 1.25 (180deg=-0.428) USER MOD Single : A 63 CYS SG : rot -50:sc= -0.544 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 1.21 (180deg=0.951) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0763) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0432 (180deg=-0.336) USER MOD Single : A 74 HIS : no HE2:sc= -0.122 X(o=-0.12,f=-0.4) USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= 1.31 (180deg=-0.561) USER MOD Single : A 81 SER OG : rot -85:sc= 1.36 USER MOD Single : A 89 GLN : amide:sc= 1.24 K(o=1.2,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -113:sc= -0.346 (180deg=-2.37) USER MOD Single : A 98 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 104 SER OG : rot 79:sc= 1.28 USER MOD Single : A 105 SER OG : rot 76:sc= 0.532 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.283 -13.944 -16.379 1.00 1.74 N ATOM 2 CA MET A 1 -10.180 -12.500 -16.723 1.00 1.02 C ATOM 3 C MET A 1 -9.958 -11.686 -15.447 1.00 0.87 C ATOM 4 O MET A 1 -10.677 -11.858 -14.457 1.00 1.29 O ATOM 5 CB MET A 1 -11.443 -12.003 -17.455 1.00 1.60 C ATOM 6 CG MET A 1 -11.083 -11.185 -18.701 1.00 2.33 C ATOM 7 SD MET A 1 -10.050 -9.754 -18.331 1.00 3.31 S ATOM 8 CE MET A 1 -10.132 -8.856 -19.889 1.00 4.33 C ATOM 0 H1 MET A 1 -10.434 -14.498 -17.246 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.404 -14.255 -15.919 1.00 1.74 H new ATOM 0 H3 MET A 1 -11.083 -14.090 -15.731 1.00 1.74 H new ATOM 0 HA MET A 1 -9.333 -12.368 -17.396 1.00 1.02 H new ATOM 0 HB2 MET A 1 -12.058 -12.856 -17.743 1.00 1.60 H new ATOM 0 HB3 MET A 1 -12.041 -11.393 -16.778 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.563 -11.827 -19.412 1.00 2.33 H new ATOM 0 HG3 MET A 1 -12.000 -10.849 -19.185 1.00 2.33 H new ATOM 0 HE1 MET A 1 -9.614 -7.902 -19.787 1.00 4.33 H new ATOM 0 HE2 MET A 1 -9.657 -9.445 -20.674 1.00 4.33 H new ATOM 0 HE3 MET A 1 -11.175 -8.676 -20.151 1.00 4.33 H new ATOM 20 N GLU A 2 -8.963 -10.801 -15.479 1.00 0.51 N ATOM 21 CA GLU A 2 -8.623 -9.938 -14.346 1.00 0.37 C ATOM 22 C GLU A 2 -8.081 -8.605 -14.872 1.00 0.34 C ATOM 23 O GLU A 2 -7.303 -8.573 -15.829 1.00 0.48 O ATOM 24 CB GLU A 2 -7.625 -10.670 -13.407 1.00 0.53 C ATOM 25 CG GLU A 2 -6.394 -9.837 -13.010 1.00 0.96 C ATOM 26 CD GLU A 2 -5.241 -10.020 -14.004 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.206 -11.054 -14.698 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.374 -9.128 -14.105 1.00 2.09 O ATOM 0 H GLU A 2 -8.367 -10.661 -16.295 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.509 -9.717 -13.751 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.152 -10.971 -12.501 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.287 -11.583 -13.897 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.668 -8.783 -12.961 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.064 -10.128 -12.013 1.00 0.96 H new ATOM 35 N GLY A 3 -8.503 -7.509 -14.246 1.00 0.25 N ATOM 36 CA GLY A 3 -8.070 -6.169 -14.644 1.00 0.28 C ATOM 37 C GLY A 3 -9.018 -5.103 -14.102 1.00 0.22 C ATOM 38 O GLY A 3 -10.013 -5.409 -13.436 1.00 0.22 O ATOM 0 H GLY A 3 -9.148 -7.522 -13.456 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.061 -5.985 -14.275 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.028 -6.105 -15.731 1.00 0.28 H new ATOM 42 N PHE A 4 -8.707 -3.846 -14.400 1.00 0.24 N ATOM 43 CA PHE A 4 -9.521 -2.709 -13.962 1.00 0.21 C ATOM 44 C PHE A 4 -10.786 -2.595 -14.817 1.00 0.22 C ATOM 45 O PHE A 4 -10.782 -2.923 -16.005 1.00 0.27 O ATOM 46 CB PHE A 4 -8.716 -1.407 -14.052 1.00 0.23 C ATOM 47 CG PHE A 4 -7.778 -1.205 -12.883 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.292 -0.918 -11.628 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.406 -1.293 -13.063 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.437 -0.719 -10.558 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.551 -1.095 -11.990 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.066 -0.806 -10.739 1.00 0.41 C ATOM 0 H PHE A 4 -7.888 -3.583 -14.949 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.809 -2.876 -12.924 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.139 -1.407 -14.977 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.405 -0.564 -14.107 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.360 -0.850 -11.485 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.003 -1.516 -14.040 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.839 -0.496 -9.581 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.483 -1.166 -12.131 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.400 -0.648 -9.904 1.00 0.41 H new ATOM 62 N LEU A 5 -11.857 -2.126 -14.197 1.00 0.19 N ATOM 63 CA LEU A 5 -13.150 -1.952 -14.859 1.00 0.21 C ATOM 64 C LEU A 5 -13.936 -0.860 -14.141 1.00 0.20 C ATOM 65 O LEU A 5 -13.886 -0.754 -12.912 1.00 0.21 O ATOM 66 CB LEU A 5 -13.963 -3.260 -14.802 1.00 0.23 C ATOM 67 CG LEU A 5 -13.959 -4.029 -16.129 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.768 -5.317 -15.988 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.504 -3.178 -17.281 1.00 0.31 C ATOM 0 H LEU A 5 -11.859 -1.852 -13.214 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.977 -1.679 -15.900 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.558 -3.899 -14.017 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.992 -3.030 -14.526 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.925 -4.278 -16.369 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.760 -5.857 -16.935 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.327 -5.941 -15.211 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.796 -5.074 -15.718 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.484 -3.759 -18.203 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.529 -2.881 -17.061 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.886 -2.288 -17.400 1.00 0.31 H new ATOM 81 N ASN A 6 -14.707 -0.087 -14.892 1.00 0.22 N ATOM 82 CA ASN A 6 -15.553 0.954 -14.301 1.00 0.23 C ATOM 83 C ASN A 6 -16.866 0.289 -13.903 1.00 0.22 C ATOM 84 O ASN A 6 -17.566 -0.248 -14.753 1.00 0.26 O ATOM 85 CB ASN A 6 -15.769 2.113 -15.294 1.00 0.28 C ATOM 86 CG ASN A 6 -15.312 3.444 -14.692 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.004 4.028 -13.856 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.154 3.931 -15.114 1.00 1.24 N ATOM 0 H ASN A 6 -14.768 -0.156 -15.908 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.080 1.394 -13.423 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.217 1.917 -16.213 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.824 2.174 -15.563 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.809 4.817 -14.745 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.608 3.420 -15.807 1.00 1.24 H new ATOM 95 N ARG A 7 -17.155 0.265 -12.599 1.00 0.23 N ATOM 96 CA ARG A 7 -18.351 -0.398 -12.062 1.00 0.24 C ATOM 97 C ARG A 7 -19.387 0.614 -11.576 1.00 0.25 C ATOM 98 O ARG A 7 -19.081 1.510 -10.785 1.00 0.32 O ATOM 99 CB ARG A 7 -17.931 -1.308 -10.900 1.00 0.28 C ATOM 100 CG ARG A 7 -19.099 -2.145 -10.362 1.00 0.34 C ATOM 101 CD ARG A 7 -18.743 -2.797 -9.019 1.00 0.54 C ATOM 102 NE ARG A 7 -19.522 -2.216 -7.921 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.103 -1.177 -7.210 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.186 0.050 -7.706 1.00 1.71 N ATOM 105 NH2 ARG A 7 -18.614 -1.374 -5.999 1.00 1.46 N ATOM 0 H ARG A 7 -16.570 0.702 -11.887 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.811 -0.983 -12.859 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.134 -1.973 -11.232 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.522 -0.699 -10.094 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.978 -1.512 -10.240 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.360 -2.917 -11.086 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.930 -3.870 -9.072 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.679 -2.668 -8.821 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.426 -2.629 -7.694 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.573 0.198 -8.638 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -18.863 0.846 -7.156 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -18.561 -2.319 -5.618 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -18.289 -0.582 -5.445 1.00 1.46 H new ATOM 119 N LYS A 8 -20.622 0.436 -12.039 1.00 0.27 N ATOM 120 CA LYS A 8 -21.746 1.289 -11.658 1.00 0.29 C ATOM 121 C LYS A 8 -22.975 0.414 -11.434 1.00 0.29 C ATOM 122 O LYS A 8 -23.587 -0.069 -12.386 1.00 0.38 O ATOM 123 CB LYS A 8 -22.015 2.334 -12.752 1.00 0.36 C ATOM 124 CG LYS A 8 -23.177 3.279 -12.393 1.00 0.37 C ATOM 125 CD LYS A 8 -24.321 3.170 -13.407 1.00 0.50 C ATOM 126 CE LYS A 8 -25.681 3.503 -12.775 1.00 0.62 C ATOM 127 NZ LYS A 8 -25.673 4.809 -12.056 1.00 1.02 N ATOM 0 H LYS A 8 -20.873 -0.307 -12.692 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.510 1.821 -10.737 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.112 2.921 -12.919 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.242 1.825 -13.689 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.548 3.039 -11.397 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.815 4.307 -12.360 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.133 3.847 -14.241 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.348 2.160 -13.816 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.444 3.525 -13.553 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.958 2.711 -12.079 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.644 5.059 -11.780 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.080 4.733 -11.205 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -25.289 5.547 -12.681 1.00 1.02 H new ATOM 141 N HIS A 9 -23.336 0.209 -10.166 1.00 0.43 N ATOM 142 CA HIS A 9 -24.504 -0.607 -9.808 1.00 0.52 C ATOM 143 C HIS A 9 -25.790 0.178 -10.084 1.00 0.58 C ATOM 144 O HIS A 9 -26.043 1.214 -9.465 1.00 0.73 O ATOM 145 CB HIS A 9 -24.460 -1.078 -8.328 1.00 0.68 C ATOM 146 CG HIS A 9 -23.786 -0.140 -7.355 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.305 -0.553 -6.138 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.493 1.185 -7.412 1.00 1.22 C ATOM 149 CE1 HIS A 9 -22.751 0.439 -5.487 1.00 1.69 C ATOM 150 NE2 HIS A 9 -22.847 1.522 -6.239 1.00 1.75 N ATOM 0 H HIS A 9 -22.836 0.597 -9.366 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.485 -1.504 -10.428 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.483 -1.247 -7.990 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.949 -2.040 -8.288 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -23.370 -1.508 -5.786 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.724 1.854 -8.228 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.296 0.382 -4.509 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -22.502 2.450 -5.994 1.00 1.75 H new ATOM 158 N GLU A 10 -26.589 -0.323 -11.025 1.00 0.60 N ATOM 159 CA GLU A 10 -27.853 0.310 -11.407 1.00 0.73 C ATOM 160 C GLU A 10 -28.927 0.016 -10.357 1.00 0.83 C ATOM 161 O GLU A 10 -29.714 0.889 -9.997 1.00 1.00 O ATOM 162 CB GLU A 10 -28.294 -0.209 -12.785 1.00 0.79 C ATOM 163 CG GLU A 10 -28.018 0.815 -13.894 1.00 1.28 C ATOM 164 CD GLU A 10 -29.142 1.842 -13.961 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.181 1.551 -14.590 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.998 2.934 -13.373 1.00 1.52 O ATOM 0 H GLU A 10 -26.380 -1.176 -11.543 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.712 1.389 -11.464 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.769 -1.138 -13.009 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.359 -0.442 -12.762 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.069 1.317 -13.706 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.925 0.306 -14.853 1.00 1.28 H new ATOM 173 N TRP A 11 -28.938 -1.219 -9.871 1.00 0.82 N ATOM 174 CA TRP A 11 -29.889 -1.680 -8.859 1.00 0.96 C ATOM 175 C TRP A 11 -29.161 -2.688 -7.973 1.00 0.94 C ATOM 176 O TRP A 11 -28.536 -3.625 -8.478 1.00 0.84 O ATOM 177 CB TRP A 11 -31.108 -2.297 -9.564 1.00 1.08 C ATOM 178 CG TRP A 11 -32.070 -3.015 -8.658 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.986 -2.453 -7.811 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.213 -4.442 -8.531 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.675 -3.456 -7.191 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.228 -4.677 -7.600 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.577 -5.539 -9.118 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.616 -5.959 -7.250 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.960 -6.824 -8.773 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.972 -7.033 -7.846 1.00 1.53 C ATOM 0 H TRP A 11 -28.281 -1.939 -10.170 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.254 -0.864 -8.236 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.646 -1.506 -10.086 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.755 -2.996 -10.322 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.138 -1.395 -7.658 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.423 -3.311 -6.513 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.788 -5.385 -9.839 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.403 -6.119 -6.528 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.468 -7.670 -9.229 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.260 -8.041 -7.587 1.00 1.53 H new ATOM 197 N GLU A 12 -29.202 -2.463 -6.659 1.00 1.16 N ATOM 198 CA GLU A 12 -28.499 -3.328 -5.709 1.00 1.26 C ATOM 199 C GLU A 12 -29.288 -3.534 -4.411 1.00 1.56 C ATOM 200 O GLU A 12 -28.806 -3.203 -3.329 1.00 2.03 O ATOM 201 CB GLU A 12 -27.125 -2.711 -5.399 1.00 1.34 C ATOM 202 CG GLU A 12 -26.173 -3.718 -4.745 1.00 1.63 C ATOM 203 CD GLU A 12 -24.871 -3.026 -4.359 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.819 -2.401 -3.282 1.00 2.09 O ATOM 205 OE2 GLU A 12 -23.886 -3.127 -5.119 1.00 2.05 O ATOM 0 H GLU A 12 -29.713 -1.692 -6.229 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.383 -4.310 -6.167 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.679 -2.338 -6.321 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.254 -1.854 -4.738 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.640 -4.152 -3.861 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -25.969 -4.538 -5.433 1.00 1.63 H new ATOM 212 N ALA A 13 -30.472 -4.138 -4.525 1.00 1.77 N ATOM 213 CA ALA A 13 -31.340 -4.486 -3.371 1.00 2.14 C ATOM 214 C ALA A 13 -31.802 -3.298 -2.503 1.00 2.15 C ATOM 215 O ALA A 13 -32.771 -3.427 -1.750 1.00 2.54 O ATOM 216 CB ALA A 13 -30.615 -5.515 -2.489 1.00 2.70 C ATOM 0 H ALA A 13 -30.870 -4.407 -5.425 1.00 1.77 H new ATOM 0 HA ALA A 13 -32.254 -4.891 -3.806 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -31.246 -5.775 -1.640 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -30.405 -6.411 -3.073 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -29.679 -5.089 -2.128 1.00 2.70 H new ATOM 222 N HIS A 14 -31.103 -2.171 -2.568 1.00 2.38 N ATOM 223 CA HIS A 14 -31.417 -0.983 -1.745 1.00 2.81 C ATOM 224 C HIS A 14 -32.655 -0.215 -2.247 1.00 2.77 C ATOM 225 O HIS A 14 -32.680 1.013 -2.199 1.00 3.31 O ATOM 226 CB HIS A 14 -30.188 -0.052 -1.693 1.00 3.51 C ATOM 227 CG HIS A 14 -29.059 -0.611 -0.875 1.00 3.99 C ATOM 228 ND1 HIS A 14 -29.142 -0.835 0.478 1.00 4.73 N ATOM 229 CD2 HIS A 14 -27.807 -1.001 -1.217 1.00 4.33 C ATOM 230 CE1 HIS A 14 -28.019 -1.331 0.942 1.00 5.34 C ATOM 231 NE2 HIS A 14 -27.176 -1.448 -0.069 1.00 5.13 N ATOM 0 H HIS A 14 -30.303 -2.043 -3.187 1.00 2.38 H new ATOM 0 HA HIS A 14 -31.660 -1.336 -0.743 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -29.836 0.133 -2.708 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -30.487 0.911 -1.279 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -27.378 -0.969 -2.208 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -27.819 -1.597 1.969 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -26.223 -1.807 -0.013 1.00 5.13 H new ATOM 239 N ASN A 15 -33.686 -0.950 -2.692 1.00 2.64 N ATOM 240 CA ASN A 15 -34.962 -0.371 -3.181 1.00 2.83 C ATOM 241 C ASN A 15 -34.745 0.512 -4.420 1.00 2.48 C ATOM 242 O ASN A 15 -35.073 0.114 -5.538 1.00 2.96 O ATOM 243 CB ASN A 15 -35.677 0.436 -2.063 1.00 3.64 C ATOM 244 CG ASN A 15 -36.793 -0.387 -1.412 1.00 4.19 C ATOM 245 OD1 ASN A 15 -36.596 -1.547 -1.054 1.00 4.25 O ATOM 246 ND2 ASN A 15 -37.965 0.214 -1.246 1.00 4.99 N ATOM 0 H ASN A 15 -33.665 -1.969 -2.726 1.00 2.64 H new ATOM 0 HA ASN A 15 -35.602 -1.205 -3.469 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -34.952 0.734 -1.305 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -36.094 1.352 -2.482 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -38.738 -0.288 -0.809 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -38.092 1.178 -1.555 1.00 4.99 H new ATOM 253 N LYS A 16 -34.195 1.706 -4.209 1.00 2.30 N ATOM 254 CA LYS A 16 -33.926 2.658 -5.289 1.00 2.46 C ATOM 255 C LYS A 16 -32.747 2.189 -6.154 1.00 2.10 C ATOM 256 O LYS A 16 -32.079 1.194 -5.846 1.00 2.44 O ATOM 257 CB LYS A 16 -33.625 4.041 -4.697 1.00 3.26 C ATOM 258 CG LYS A 16 -34.812 4.602 -3.905 1.00 3.87 C ATOM 259 CD LYS A 16 -34.417 5.879 -3.151 1.00 4.83 C ATOM 260 CE LYS A 16 -35.616 6.808 -2.932 1.00 5.52 C ATOM 261 NZ LYS A 16 -36.056 7.429 -4.211 1.00 6.03 N ATOM 0 H LYS A 16 -33.923 2.042 -3.285 1.00 2.30 H new ATOM 0 HA LYS A 16 -34.810 2.719 -5.924 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -32.754 3.974 -4.045 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -33.368 4.731 -5.501 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -35.637 4.817 -4.584 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -35.168 3.853 -3.197 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -33.984 5.612 -2.187 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -33.646 6.408 -3.711 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -36.441 6.245 -2.495 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -35.350 7.588 -2.219 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -36.659 8.251 -4.008 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -35.223 7.736 -4.753 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -36.594 6.734 -4.767 1.00 6.03 H new ATOM 275 N LYS A 17 -32.497 2.914 -7.240 1.00 1.88 N ATOM 276 CA LYS A 17 -31.406 2.591 -8.161 1.00 1.62 C ATOM 277 C LYS A 17 -30.060 3.029 -7.560 1.00 1.62 C ATOM 278 O LYS A 17 -29.823 4.223 -7.354 1.00 2.06 O ATOM 279 CB LYS A 17 -31.650 3.289 -9.508 1.00 1.84 C ATOM 280 CG LYS A 17 -32.991 2.880 -10.133 1.00 2.30 C ATOM 281 CD LYS A 17 -32.891 1.559 -10.907 1.00 2.75 C ATOM 282 CE LYS A 17 -32.277 1.766 -12.294 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.391 0.541 -13.137 1.00 3.75 N ATOM 0 H LYS A 17 -33.039 3.736 -7.507 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.374 1.513 -8.322 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -31.631 4.369 -9.365 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -30.840 3.044 -10.195 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.741 2.783 -9.348 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -33.332 3.668 -10.805 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -32.286 0.850 -10.342 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -33.883 1.120 -11.009 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.775 2.598 -12.792 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -31.227 2.040 -12.190 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -31.662 0.561 -13.878 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -32.258 -0.303 -12.543 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.332 0.509 -13.578 1.00 3.75 H new ATOM 297 N ALA A 18 -29.192 2.048 -7.281 1.00 1.43 N ATOM 298 CA ALA A 18 -27.860 2.285 -6.700 1.00 1.61 C ATOM 299 C ALA A 18 -27.959 2.756 -5.243 1.00 1.86 C ATOM 300 O ALA A 18 -28.989 2.579 -4.587 1.00 2.10 O ATOM 301 CB ALA A 18 -27.086 3.302 -7.550 1.00 1.58 C ATOM 0 H ALA A 18 -29.393 1.063 -7.452 1.00 1.43 H new ATOM 0 HA ALA A 18 -27.317 1.340 -6.701 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.103 3.470 -7.111 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -26.970 2.916 -8.563 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.635 4.243 -7.581 1.00 1.58 H new ATOM 307 N SER A 19 -26.876 3.355 -4.750 1.00 2.24 N ATOM 308 CA SER A 19 -26.808 3.865 -3.379 1.00 2.71 C ATOM 309 C SER A 19 -26.389 5.337 -3.405 1.00 2.85 C ATOM 310 O SER A 19 -27.176 6.217 -3.055 1.00 3.33 O ATOM 311 CB SER A 19 -25.829 3.024 -2.529 1.00 3.28 C ATOM 312 OG SER A 19 -24.865 2.353 -3.338 1.00 3.62 O ATOM 0 H SER A 19 -26.022 3.501 -5.288 1.00 2.24 H new ATOM 0 HA SER A 19 -27.792 3.786 -2.918 1.00 2.71 H new ATOM 0 HB2 SER A 19 -25.318 3.672 -1.817 1.00 3.28 H new ATOM 0 HB3 SER A 19 -26.389 2.291 -1.948 1.00 3.28 H new ATOM 0 HG SER A 19 -24.263 1.833 -2.766 1.00 3.62 H new ATOM 318 N SER A 20 -25.158 5.603 -3.838 1.00 2.92 N ATOM 319 CA SER A 20 -24.628 6.972 -3.929 1.00 3.46 C ATOM 320 C SER A 20 -23.416 7.009 -4.866 1.00 3.36 C ATOM 321 O SER A 20 -23.394 7.770 -5.838 1.00 3.74 O ATOM 322 CB SER A 20 -24.225 7.490 -2.535 1.00 4.13 C ATOM 323 OG SER A 20 -25.369 7.683 -1.707 1.00 4.31 O ATOM 0 H SER A 20 -24.499 4.883 -4.135 1.00 2.92 H new ATOM 0 HA SER A 20 -25.410 7.617 -4.330 1.00 3.46 H new ATOM 0 HB2 SER A 20 -23.546 6.780 -2.062 1.00 4.13 H new ATOM 0 HB3 SER A 20 -23.683 8.430 -2.636 1.00 4.13 H new ATOM 0 HG SER A 20 -26.181 7.497 -2.223 1.00 4.31 H new ATOM 329 N ARG A 21 -22.408 6.185 -4.562 1.00 3.28 N ATOM 330 CA ARG A 21 -21.173 6.109 -5.353 1.00 3.37 C ATOM 331 C ARG A 21 -21.446 5.471 -6.720 1.00 2.30 C ATOM 332 O ARG A 21 -21.564 4.249 -6.839 1.00 2.78 O ATOM 333 CB ARG A 21 -20.114 5.303 -4.585 1.00 4.44 C ATOM 334 CG ARG A 21 -18.693 5.739 -4.953 1.00 5.18 C ATOM 335 CD ARG A 21 -17.632 4.829 -4.319 1.00 5.89 C ATOM 336 NE ARG A 21 -18.134 4.196 -3.092 1.00 6.25 N ATOM 337 CZ ARG A 21 -17.798 4.628 -1.877 1.00 6.92 C ATOM 338 NH1 ARG A 21 -16.638 4.275 -1.350 1.00 7.30 N ATOM 339 NH2 ARG A 21 -18.613 5.423 -1.198 1.00 7.43 N ATOM 0 H ARG A 21 -22.424 5.552 -3.762 1.00 3.28 H new ATOM 0 HA ARG A 21 -20.798 7.119 -5.520 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -20.267 5.429 -3.513 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -20.237 4.242 -4.802 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -18.579 5.728 -6.037 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -18.532 6.766 -4.626 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -17.337 4.060 -5.033 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -16.740 5.412 -4.091 1.00 5.89 H new ATOM 0 HE ARG A 21 -18.763 3.397 -3.173 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -16.002 3.673 -1.873 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -16.379 4.605 -0.420 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -19.504 5.708 -1.605 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -18.349 5.750 -0.268 1.00 7.43 H new ATOM 353 N SER A 22 -21.558 6.314 -7.741 1.00 1.32 N ATOM 354 CA SER A 22 -21.831 5.868 -9.111 1.00 0.74 C ATOM 355 C SER A 22 -20.581 5.996 -9.988 1.00 0.68 C ATOM 356 O SER A 22 -19.921 7.039 -9.994 1.00 1.69 O ATOM 357 CB SER A 22 -22.984 6.699 -9.690 1.00 1.62 C ATOM 358 OG SER A 22 -24.030 6.827 -8.729 1.00 1.86 O ATOM 0 H SER A 22 -21.463 7.325 -7.647 1.00 1.32 H new ATOM 0 HA SER A 22 -22.115 4.816 -9.094 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.622 7.686 -9.978 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.366 6.224 -10.593 1.00 1.62 H new ATOM 0 HG SER A 22 -24.759 7.360 -9.108 1.00 1.86 H new ATOM 364 N TRP A 23 -20.272 4.922 -10.724 1.00 0.69 N ATOM 365 CA TRP A 23 -19.109 4.851 -11.628 1.00 0.41 C ATOM 366 C TRP A 23 -17.794 4.925 -10.845 1.00 0.40 C ATOM 367 O TRP A 23 -17.227 6.002 -10.655 1.00 0.55 O ATOM 368 CB TRP A 23 -19.170 5.945 -12.722 1.00 0.43 C ATOM 369 CG TRP A 23 -20.108 5.590 -13.841 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.184 6.308 -14.284 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.046 4.406 -14.657 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.773 5.623 -15.311 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.109 4.460 -15.564 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.192 3.309 -14.697 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.331 3.454 -16.494 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.401 2.302 -15.619 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.466 2.369 -16.513 1.00 0.31 C ATOM 0 H TRP A 23 -20.826 4.066 -10.711 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.145 3.884 -12.130 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.486 6.886 -12.272 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.171 6.105 -13.127 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.514 7.258 -13.889 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.598 5.940 -15.819 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.364 3.244 -14.006 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.157 3.514 -17.187 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.732 1.455 -15.647 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.620 1.572 -17.225 1.00 0.31 H new ATOM 388 N HIS A 24 -17.319 3.758 -10.408 1.00 0.37 N ATOM 389 CA HIS A 24 -16.071 3.636 -9.655 1.00 0.45 C ATOM 390 C HIS A 24 -15.147 2.642 -10.371 1.00 0.36 C ATOM 391 O HIS A 24 -15.560 1.524 -10.702 1.00 0.34 O ATOM 392 CB HIS A 24 -16.365 3.162 -8.220 1.00 0.61 C ATOM 393 CG HIS A 24 -15.160 3.199 -7.328 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.801 4.292 -6.582 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.212 2.270 -7.066 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.704 4.059 -5.902 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.311 2.824 -6.173 1.00 2.74 N ATOM 0 H HIS A 24 -17.791 2.868 -10.567 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.579 4.607 -9.600 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.147 3.788 -7.790 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.754 2.144 -8.253 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -15.319 5.170 -6.559 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.166 1.274 -7.480 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.209 4.752 -5.238 1.00 2.98 H new ATOM 405 N ASN A 25 -13.901 3.053 -10.599 1.00 0.37 N ATOM 406 CA ASN A 25 -12.899 2.213 -11.267 1.00 0.35 C ATOM 407 C ASN A 25 -12.354 1.182 -10.267 1.00 0.34 C ATOM 408 O ASN A 25 -11.461 1.479 -9.467 1.00 0.55 O ATOM 409 CB ASN A 25 -11.775 3.107 -11.821 1.00 0.44 C ATOM 410 CG ASN A 25 -10.748 2.303 -12.626 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.018 1.189 -13.078 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.572 2.879 -12.812 1.00 1.49 N ATOM 0 H ASN A 25 -13.555 3.974 -10.328 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.349 1.674 -12.101 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.207 3.882 -12.455 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.274 3.613 -10.996 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.848 2.399 -13.347 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.389 3.803 -12.421 1.00 1.49 H new ATOM 419 N VAL A 26 -12.928 -0.021 -10.314 1.00 0.22 N ATOM 420 CA VAL A 26 -12.559 -1.125 -9.420 1.00 0.21 C ATOM 421 C VAL A 26 -11.801 -2.212 -10.197 1.00 0.18 C ATOM 422 O VAL A 26 -11.886 -2.290 -11.424 1.00 0.23 O ATOM 423 CB VAL A 26 -13.842 -1.691 -8.775 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.615 -2.584 -9.753 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.529 -2.458 -7.492 1.00 0.31 C ATOM 0 H VAL A 26 -13.666 -0.260 -10.976 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.895 -0.762 -8.635 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.473 -0.840 -8.519 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.512 -2.965 -9.266 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.898 -2.003 -10.631 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.985 -3.419 -10.059 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.454 -2.843 -7.063 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.861 -3.289 -7.719 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.048 -1.790 -6.777 1.00 0.31 H new ATOM 435 N TYR A 27 -11.070 -3.054 -9.471 1.00 0.16 N ATOM 436 CA TYR A 27 -10.298 -4.152 -10.067 1.00 0.16 C ATOM 437 C TYR A 27 -11.109 -5.444 -9.974 1.00 0.19 C ATOM 438 O TYR A 27 -11.264 -6.015 -8.895 1.00 0.34 O ATOM 439 CB TYR A 27 -8.957 -4.289 -9.338 1.00 0.17 C ATOM 440 CG TYR A 27 -7.907 -5.036 -10.132 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.945 -6.417 -10.196 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.913 -4.343 -10.805 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.001 -7.105 -10.932 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.968 -5.033 -11.547 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.964 -6.385 -11.558 1.00 0.29 C ATOM 446 OH TYR A 27 -5.093 -7.099 -12.349 1.00 0.37 O ATOM 0 H TYR A 27 -10.993 -2.999 -8.455 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.096 -3.943 -11.118 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.580 -3.295 -9.099 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.119 -4.804 -8.391 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.716 -6.959 -9.668 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -6.875 -3.265 -10.751 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.057 -8.179 -11.027 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.231 -4.489 -12.119 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.422 -6.493 -12.727 1.00 0.37 H new ATOM 456 N CYS A 28 -11.642 -5.888 -11.109 1.00 0.16 N ATOM 457 CA CYS A 28 -12.462 -7.099 -11.170 1.00 0.19 C ATOM 458 C CYS A 28 -11.613 -8.328 -11.504 1.00 0.19 C ATOM 459 O CYS A 28 -10.719 -8.268 -12.348 1.00 0.23 O ATOM 460 CB CYS A 28 -13.567 -6.923 -12.220 1.00 0.23 C ATOM 461 SG CYS A 28 -14.549 -5.436 -11.946 1.00 0.34 S ATOM 0 H CYS A 28 -11.520 -5.423 -12.009 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.912 -7.257 -10.190 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.118 -6.880 -13.212 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.221 -7.795 -12.204 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.462 -5.677 -11.052 1.00 0.34 H new ATOM 467 N VAL A 29 -11.916 -9.439 -10.836 1.00 0.21 N ATOM 468 CA VAL A 29 -11.222 -10.713 -11.037 1.00 0.24 C ATOM 469 C VAL A 29 -12.271 -11.823 -11.133 1.00 0.26 C ATOM 470 O VAL A 29 -13.005 -12.063 -10.177 1.00 0.38 O ATOM 471 CB VAL A 29 -10.262 -10.986 -9.866 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.558 -12.336 -10.034 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.233 -9.863 -9.741 1.00 0.33 C ATOM 0 H VAL A 29 -12.655 -9.483 -10.134 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.634 -10.677 -11.954 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.853 -11.022 -8.951 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.886 -12.503 -9.192 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.302 -13.132 -10.068 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.985 -12.335 -10.961 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.563 -10.074 -8.907 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.655 -9.795 -10.663 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.746 -8.918 -9.564 1.00 0.33 H new ATOM 483 N ILE A 30 -12.353 -12.479 -12.292 1.00 0.28 N ATOM 484 CA ILE A 30 -13.332 -13.552 -12.513 1.00 0.32 C ATOM 485 C ILE A 30 -12.676 -14.927 -12.353 1.00 0.35 C ATOM 486 O ILE A 30 -11.679 -15.237 -13.014 1.00 0.44 O ATOM 487 CB ILE A 30 -13.960 -13.439 -13.913 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.455 -12.012 -14.183 1.00 0.47 C ATOM 489 CG2 ILE A 30 -15.117 -14.432 -14.065 1.00 0.50 C ATOM 490 CD1 ILE A 30 -15.101 -11.890 -15.566 1.00 0.57 C ATOM 0 H ILE A 30 -11.754 -12.288 -13.095 1.00 0.28 H new ATOM 0 HA ILE A 30 -14.117 -13.445 -11.764 1.00 0.32 H new ATOM 0 HB ILE A 30 -13.188 -13.679 -14.644 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.176 -11.726 -13.418 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.619 -11.316 -14.109 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.549 -14.338 -15.061 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.746 -15.447 -13.925 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.880 -14.218 -13.317 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.439 -10.865 -15.721 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -14.371 -12.151 -16.333 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.953 -12.567 -15.631 1.00 0.57 H new ATOM 502 N ASN A 31 -13.268 -15.749 -11.494 1.00 0.46 N ATOM 503 CA ASN A 31 -12.809 -17.114 -11.231 1.00 0.58 C ATOM 504 C ASN A 31 -13.929 -18.079 -11.625 1.00 0.71 C ATOM 505 O ASN A 31 -14.524 -18.757 -10.782 1.00 1.20 O ATOM 506 CB ASN A 31 -12.433 -17.281 -9.746 1.00 0.73 C ATOM 507 CG ASN A 31 -11.815 -18.664 -9.500 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.857 -19.050 -10.169 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.353 -19.408 -8.542 1.00 1.47 N ATOM 0 H ASN A 31 -14.091 -15.486 -10.952 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.916 -17.329 -11.818 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.727 -16.504 -9.454 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.319 -17.157 -9.124 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.973 -20.333 -8.340 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -13.147 -19.055 -8.007 1.00 1.47 H new ATOM 516 N ASN A 32 -14.210 -18.113 -12.924 1.00 0.85 N ATOM 517 CA ASN A 32 -15.247 -18.970 -13.519 1.00 1.00 C ATOM 518 C ASN A 32 -16.651 -18.652 -12.978 1.00 1.00 C ATOM 519 O ASN A 32 -17.302 -17.723 -13.449 1.00 1.97 O ATOM 520 CB ASN A 32 -14.909 -20.465 -13.325 1.00 1.24 C ATOM 521 CG ASN A 32 -13.673 -20.852 -14.140 1.00 1.73 C ATOM 522 OD1 ASN A 32 -12.617 -21.157 -13.580 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.797 -20.836 -15.457 1.00 2.52 N ATOM 0 H ASN A 32 -13.719 -17.539 -13.610 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.260 -18.754 -14.587 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -14.732 -20.669 -12.269 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.758 -21.077 -13.630 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.002 -21.082 -16.047 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.688 -20.578 -15.882 1.00 2.52 H new ATOM 530 N GLN A 33 -17.123 -19.446 -12.012 1.00 0.75 N ATOM 531 CA GLN A 33 -18.469 -19.280 -11.434 1.00 0.67 C ATOM 532 C GLN A 33 -18.506 -18.274 -10.270 1.00 0.56 C ATOM 533 O GLN A 33 -19.580 -18.076 -9.668 1.00 0.71 O ATOM 534 CB GLN A 33 -18.983 -20.642 -10.956 1.00 0.83 C ATOM 535 CG GLN A 33 -19.299 -21.568 -12.141 1.00 1.46 C ATOM 536 CD GLN A 33 -20.803 -21.788 -12.267 1.00 1.85 C ATOM 537 OE1 GLN A 33 -21.484 -21.080 -13.005 1.00 2.11 O ATOM 538 NE2 GLN A 33 -21.323 -22.766 -11.542 1.00 2.67 N ATOM 0 H GLN A 33 -16.591 -20.217 -11.608 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.110 -18.877 -12.218 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.236 -21.110 -10.315 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.879 -20.503 -10.352 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.912 -21.133 -13.062 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.796 -22.526 -12.005 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.722 -23.331 -10.942 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -22.325 -22.955 -11.584 1.00 2.67 H new ATOM 547 N GLU A 34 -17.358 -17.643 -9.952 1.00 0.53 N ATOM 548 CA GLU A 34 -17.283 -16.664 -8.858 1.00 0.49 C ATOM 549 C GLU A 34 -16.347 -15.527 -9.244 1.00 0.45 C ATOM 550 O GLU A 34 -15.279 -15.770 -9.788 1.00 0.64 O ATOM 551 CB GLU A 34 -16.759 -17.338 -7.588 1.00 0.61 C ATOM 552 CG GLU A 34 -17.721 -18.415 -7.075 1.00 1.25 C ATOM 553 CD GLU A 34 -17.190 -19.040 -5.792 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.480 -18.348 -5.034 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.470 -20.228 -5.543 1.00 1.79 O ATOM 0 H GLU A 34 -16.474 -17.796 -10.438 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.281 -16.268 -8.673 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.786 -17.786 -7.790 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.609 -16.586 -6.813 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.703 -17.977 -6.894 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.851 -19.186 -7.835 1.00 1.25 H new ATOM 562 N MET A 35 -16.732 -14.289 -8.943 1.00 0.36 N ATOM 563 CA MET A 35 -15.899 -13.120 -9.250 1.00 0.35 C ATOM 564 C MET A 35 -15.689 -12.278 -7.991 1.00 0.32 C ATOM 565 O MET A 35 -16.537 -12.262 -7.093 1.00 0.42 O ATOM 566 CB MET A 35 -16.539 -12.279 -10.368 1.00 0.41 C ATOM 567 CG MET A 35 -17.843 -11.607 -9.925 1.00 0.43 C ATOM 568 SD MET A 35 -18.688 -10.772 -11.280 1.00 0.60 S ATOM 569 CE MET A 35 -17.466 -9.539 -11.768 1.00 1.25 C ATOM 0 H MET A 35 -17.616 -14.065 -8.486 1.00 0.36 H new ATOM 0 HA MET A 35 -14.927 -13.466 -9.601 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.833 -11.515 -10.693 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.737 -12.917 -11.229 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.507 -12.358 -9.496 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.626 -10.885 -9.137 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.973 -8.616 -12.050 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.793 -9.343 -10.933 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.892 -9.911 -12.617 1.00 1.25 H new ATOM 579 N GLY A 36 -14.551 -11.588 -7.931 1.00 0.27 N ATOM 580 CA GLY A 36 -14.196 -10.739 -6.790 1.00 0.29 C ATOM 581 C GLY A 36 -13.867 -9.316 -7.245 1.00 0.25 C ATOM 582 O GLY A 36 -13.251 -9.113 -8.298 1.00 0.28 O ATOM 0 H GLY A 36 -13.848 -11.600 -8.670 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.022 -10.715 -6.079 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.339 -11.165 -6.268 1.00 0.29 H new ATOM 586 N PHE A 37 -14.278 -8.336 -6.438 1.00 0.24 N ATOM 587 CA PHE A 37 -14.036 -6.914 -6.715 1.00 0.25 C ATOM 588 C PHE A 37 -12.997 -6.374 -5.732 1.00 0.25 C ATOM 589 O PHE A 37 -13.271 -6.251 -4.540 1.00 0.40 O ATOM 590 CB PHE A 37 -15.344 -6.130 -6.577 1.00 0.30 C ATOM 591 CG PHE A 37 -16.382 -6.534 -7.602 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.280 -6.099 -8.914 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.444 -7.339 -7.224 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.238 -6.470 -9.845 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.400 -7.710 -8.155 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.273 -7.274 -9.490 1.00 0.33 C ATOM 0 H PHE A 37 -14.789 -8.504 -5.572 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.661 -6.800 -7.732 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.750 -6.282 -5.577 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.136 -5.065 -6.678 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.454 -5.471 -9.211 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.527 -7.678 -6.202 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.160 -6.116 -10.862 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.236 -8.328 -7.861 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.998 -7.579 -10.230 1.00 0.33 H new ATOM 606 N TYR A 38 -11.802 -6.073 -6.234 1.00 0.20 N ATOM 607 CA TYR A 38 -10.697 -5.568 -5.405 1.00 0.21 C ATOM 608 C TYR A 38 -10.344 -4.120 -5.760 1.00 0.21 C ATOM 609 O TYR A 38 -10.875 -3.552 -6.714 1.00 0.23 O ATOM 610 CB TYR A 38 -9.476 -6.470 -5.592 1.00 0.23 C ATOM 611 CG TYR A 38 -9.747 -7.899 -5.180 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.568 -8.293 -3.863 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.160 -8.821 -6.122 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.804 -9.606 -3.495 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.397 -10.133 -5.754 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.268 -10.501 -4.410 1.00 0.44 C ATOM 617 OH TYR A 38 -10.449 -11.828 -4.083 1.00 0.55 O ATOM 0 H TYR A 38 -11.567 -6.170 -7.222 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.012 -5.582 -4.362 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.168 -6.448 -6.637 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.645 -6.077 -5.007 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.244 -7.575 -3.124 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.298 -8.516 -7.149 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.620 -9.922 -2.479 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.679 -10.866 -6.496 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.788 -12.314 -4.864 1.00 0.55 H new ATOM 627 N LYS A 39 -9.437 -3.528 -4.977 1.00 0.25 N ATOM 628 CA LYS A 39 -8.998 -2.138 -5.190 1.00 0.29 C ATOM 629 C LYS A 39 -8.104 -2.038 -6.427 1.00 0.28 C ATOM 630 O LYS A 39 -8.366 -1.237 -7.326 1.00 0.33 O ATOM 631 CB LYS A 39 -8.240 -1.635 -3.951 1.00 0.36 C ATOM 632 CG LYS A 39 -8.079 -0.111 -3.954 1.00 0.70 C ATOM 633 CD LYS A 39 -7.503 0.392 -2.623 1.00 1.15 C ATOM 634 CE LYS A 39 -6.684 1.674 -2.805 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.516 2.794 -3.333 1.00 2.51 N ATOM 0 H LYS A 39 -8.988 -3.989 -4.185 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.878 -1.516 -5.350 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.773 -1.941 -3.051 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.256 -2.103 -3.913 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.423 0.186 -4.772 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.046 0.359 -4.135 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.317 0.577 -1.922 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.874 -0.382 -2.184 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.247 1.965 -1.850 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.857 1.483 -3.488 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.934 3.652 -3.410 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.885 2.540 -4.272 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.310 2.972 -2.686 1.00 2.51 H new ATOM 649 N ASP A 40 -7.048 -2.847 -6.453 1.00 0.28 N ATOM 650 CA ASP A 40 -6.088 -2.868 -7.559 1.00 0.32 C ATOM 651 C ASP A 40 -5.505 -4.276 -7.734 1.00 0.33 C ATOM 652 O ASP A 40 -6.022 -5.246 -7.166 1.00 0.32 O ATOM 653 CB ASP A 40 -4.974 -1.823 -7.321 1.00 0.38 C ATOM 654 CG ASP A 40 -4.069 -2.166 -6.129 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.501 -2.970 -5.277 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.933 -1.649 -6.043 1.00 0.94 O ATOM 0 H ASP A 40 -6.831 -3.509 -5.708 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.605 -2.604 -8.482 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.364 -1.740 -8.220 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.430 -0.847 -7.154 1.00 0.38 H new ATOM 661 N ALA A 41 -4.427 -4.382 -8.518 1.00 0.40 N ATOM 662 CA ALA A 41 -3.764 -5.670 -8.777 1.00 0.45 C ATOM 663 C ALA A 41 -3.173 -6.249 -7.490 1.00 0.45 C ATOM 664 O ALA A 41 -3.269 -7.455 -7.239 1.00 0.47 O ATOM 665 CB ALA A 41 -2.663 -5.506 -9.832 1.00 0.55 C ATOM 0 H ALA A 41 -3.991 -3.588 -8.988 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.515 -6.364 -9.155 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.184 -6.469 -10.011 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.101 -5.141 -10.761 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.921 -4.792 -9.475 1.00 0.55 H new ATOM 671 N LYS A 42 -2.581 -5.379 -6.670 1.00 0.46 N ATOM 672 CA LYS A 42 -1.984 -5.784 -5.394 1.00 0.48 C ATOM 673 C LYS A 42 -3.059 -6.331 -4.452 1.00 0.43 C ATOM 674 O LYS A 42 -2.881 -7.385 -3.838 1.00 0.47 O ATOM 675 CB LYS A 42 -1.267 -4.592 -4.748 1.00 0.54 C ATOM 676 CG LYS A 42 -0.076 -4.141 -5.593 1.00 0.77 C ATOM 677 CD LYS A 42 0.717 -3.035 -4.897 1.00 1.12 C ATOM 678 CE LYS A 42 1.602 -2.274 -5.886 1.00 1.96 C ATOM 679 NZ LYS A 42 2.610 -3.168 -6.540 1.00 2.76 N ATOM 0 H LYS A 42 -2.501 -4.382 -6.868 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.256 -6.573 -5.582 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.966 -3.764 -4.629 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.925 -4.867 -3.750 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.577 -4.992 -5.787 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.429 -3.784 -6.560 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.029 -2.341 -4.414 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.336 -3.469 -4.112 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.977 -1.812 -6.650 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.117 -1.467 -5.365 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.243 -2.599 -7.137 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.168 -3.655 -5.810 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.120 -3.872 -7.128 1.00 2.76 H new ATOM 693 N SER A 43 -4.188 -5.620 -4.358 1.00 0.38 N ATOM 694 CA SER A 43 -5.308 -6.040 -3.508 1.00 0.38 C ATOM 695 C SER A 43 -5.903 -7.372 -3.993 1.00 0.39 C ATOM 696 O SER A 43 -6.394 -8.164 -3.191 1.00 0.45 O ATOM 697 CB SER A 43 -6.384 -4.953 -3.494 1.00 0.37 C ATOM 698 OG SER A 43 -5.813 -3.702 -3.130 1.00 1.04 O ATOM 0 H SER A 43 -4.351 -4.748 -4.862 1.00 0.38 H new ATOM 0 HA SER A 43 -4.934 -6.189 -2.495 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.848 -4.877 -4.478 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.172 -5.220 -2.790 1.00 0.37 H new ATOM 0 HG SER A 43 -5.417 -3.281 -3.921 1.00 1.04 H new ATOM 704 N ALA A 44 -5.844 -7.614 -5.308 1.00 0.37 N ATOM 705 CA ALA A 44 -6.366 -8.849 -5.907 1.00 0.43 C ATOM 706 C ALA A 44 -5.432 -10.029 -5.620 1.00 0.51 C ATOM 707 O ALA A 44 -5.873 -11.077 -5.145 1.00 0.59 O ATOM 708 CB ALA A 44 -6.531 -8.673 -7.419 1.00 0.43 C ATOM 0 H ALA A 44 -5.437 -6.966 -5.982 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.338 -9.060 -5.462 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.919 -9.595 -7.852 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.228 -7.858 -7.617 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.564 -8.440 -7.866 1.00 0.43 H new ATOM 714 N ALA A 45 -4.139 -9.847 -5.908 1.00 0.54 N ATOM 715 CA ALA A 45 -3.123 -10.888 -5.686 1.00 0.64 C ATOM 716 C ALA A 45 -2.954 -11.184 -4.190 1.00 0.68 C ATOM 717 O ALA A 45 -2.847 -12.342 -3.780 1.00 0.76 O ATOM 718 CB ALA A 45 -1.785 -10.443 -6.289 1.00 0.69 C ATOM 0 H ALA A 45 -3.766 -8.982 -6.299 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.455 -11.803 -6.176 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.036 -11.217 -6.122 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.905 -10.279 -7.360 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.462 -9.517 -5.814 1.00 0.69 H new ATOM 724 N SER A 46 -2.934 -10.125 -3.381 1.00 0.65 N ATOM 725 CA SER A 46 -2.784 -10.246 -1.926 1.00 0.73 C ATOM 726 C SER A 46 -4.078 -10.766 -1.278 1.00 0.74 C ATOM 727 O SER A 46 -4.033 -11.451 -0.255 1.00 0.84 O ATOM 728 CB SER A 46 -2.405 -8.875 -1.347 1.00 0.75 C ATOM 729 OG SER A 46 -2.181 -8.941 0.056 1.00 1.21 O ATOM 0 H SER A 46 -3.021 -9.164 -3.710 1.00 0.65 H new ATOM 0 HA SER A 46 -1.996 -10.967 -1.708 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.507 -8.506 -1.842 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.200 -8.159 -1.555 1.00 0.75 H new ATOM 0 HG SER A 46 -1.940 -8.052 0.391 1.00 1.21 H new ATOM 735 N GLY A 47 -5.224 -10.435 -1.877 1.00 0.70 N ATOM 736 CA GLY A 47 -6.533 -10.862 -1.370 1.00 0.74 C ATOM 737 C GLY A 47 -7.020 -9.941 -0.251 1.00 0.75 C ATOM 738 O GLY A 47 -7.461 -10.405 0.802 1.00 0.88 O ATOM 0 H GLY A 47 -5.273 -9.867 -2.723 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.258 -10.864 -2.184 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.466 -11.885 -0.999 1.00 0.74 H new ATOM 742 N ILE A 48 -6.937 -8.633 -0.486 1.00 0.67 N ATOM 743 CA ILE A 48 -7.362 -7.624 0.489 1.00 0.72 C ATOM 744 C ILE A 48 -8.825 -7.248 0.245 1.00 0.75 C ATOM 745 O ILE A 48 -9.194 -6.867 -0.868 1.00 0.75 O ATOM 746 CB ILE A 48 -6.468 -6.374 0.377 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.990 -6.778 0.304 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.696 -5.425 1.562 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.077 -5.556 0.314 1.00 0.97 C ATOM 0 H ILE A 48 -6.574 -8.241 -1.355 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.266 -8.037 1.493 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.738 -5.849 -0.539 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.746 -7.423 1.148 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.814 -7.358 -0.602 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.053 -4.551 1.458 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.739 -5.108 1.579 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.459 -5.941 2.492 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.037 -5.878 0.261 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.305 -4.924 -0.545 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.236 -4.991 1.232 1.00 0.97 H new ATOM 761 N PRO A 49 -9.679 -7.334 1.284 1.00 0.84 N ATOM 762 CA PRO A 49 -11.105 -6.984 1.165 1.00 0.93 C ATOM 763 C PRO A 49 -11.299 -5.465 1.057 1.00 0.93 C ATOM 764 O PRO A 49 -11.361 -4.759 2.065 1.00 1.08 O ATOM 765 CB PRO A 49 -11.732 -7.557 2.436 1.00 1.07 C ATOM 766 CG PRO A 49 -10.620 -7.634 3.435 1.00 1.06 C ATOM 767 CD PRO A 49 -9.330 -7.764 2.656 1.00 0.92 C ATOM 0 HA PRO A 49 -11.567 -7.388 0.264 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.539 -6.919 2.797 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.162 -8.542 2.251 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.603 -6.742 4.062 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.757 -8.488 4.099 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.545 -7.138 3.080 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -8.961 -8.789 2.668 1.00 0.92 H new ATOM 775 N TYR A 50 -11.373 -4.973 -0.182 1.00 0.87 N ATOM 776 CA TYR A 50 -11.541 -3.540 -0.467 1.00 0.91 C ATOM 777 C TYR A 50 -12.883 -3.014 0.065 1.00 1.12 C ATOM 778 O TYR A 50 -12.987 -1.864 0.492 1.00 1.91 O ATOM 779 CB TYR A 50 -11.453 -3.320 -1.984 1.00 0.92 C ATOM 780 CG TYR A 50 -11.721 -1.888 -2.408 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.002 -0.852 -1.835 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.693 -1.603 -3.360 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.252 0.458 -2.209 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.938 -0.289 -3.733 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.216 0.733 -3.158 1.00 1.17 C ATOM 786 OH TYR A 50 -12.463 2.037 -3.524 1.00 1.34 O ATOM 0 H TYR A 50 -11.318 -5.554 -1.018 1.00 0.87 H new ATOM 0 HA TYR A 50 -10.749 -2.988 0.039 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.461 -3.612 -2.328 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.168 -3.977 -2.480 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.245 -1.066 -1.095 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.258 -2.406 -3.810 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.693 1.264 -1.758 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.693 -0.068 -4.473 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.725 2.068 -4.468 1.00 1.34 H new ATOM 796 N HIS A 51 -13.899 -3.869 0.030 1.00 1.28 N ATOM 797 CA HIS A 51 -15.246 -3.523 0.498 1.00 1.53 C ATOM 798 C HIS A 51 -15.907 -4.771 1.096 1.00 1.61 C ATOM 799 O HIS A 51 -15.285 -5.835 1.186 1.00 2.07 O ATOM 800 CB HIS A 51 -16.081 -2.983 -0.691 1.00 2.01 C ATOM 801 CG HIS A 51 -16.585 -1.575 -0.494 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.896 -1.269 -0.218 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.953 -0.373 -0.554 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.067 0.029 -0.116 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.896 0.612 -0.317 1.00 3.74 N ATOM 0 H HIS A 51 -13.817 -4.823 -0.323 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.189 -2.751 1.265 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.473 -3.018 -1.595 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.932 -3.644 -0.854 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -18.639 -1.959 -0.107 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -14.903 -0.215 -0.751 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.999 0.532 0.095 1.00 3.87 H new ATOM 813 N SER A 52 -17.172 -4.651 1.475 1.00 1.60 N ATOM 814 CA SER A 52 -17.925 -5.781 2.027 1.00 1.96 C ATOM 815 C SER A 52 -18.497 -6.613 0.873 1.00 1.85 C ATOM 816 O SER A 52 -18.460 -7.846 0.888 1.00 2.45 O ATOM 817 CB SER A 52 -19.048 -5.264 2.930 1.00 2.44 C ATOM 818 OG SER A 52 -18.529 -4.366 3.908 1.00 2.65 O ATOM 0 H SER A 52 -17.704 -3.783 1.412 1.00 1.60 H new ATOM 0 HA SER A 52 -17.266 -6.410 2.626 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.803 -4.759 2.328 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.541 -6.102 3.423 1.00 2.44 H new ATOM 0 HG SER A 52 -19.259 -4.043 4.476 1.00 2.65 H new ATOM 824 N GLU A 53 -19.005 -5.910 -0.138 1.00 1.45 N ATOM 825 CA GLU A 53 -19.580 -6.518 -1.337 1.00 1.37 C ATOM 826 C GLU A 53 -18.461 -6.843 -2.338 1.00 1.08 C ATOM 827 O GLU A 53 -18.416 -6.290 -3.442 1.00 1.24 O ATOM 828 CB GLU A 53 -20.596 -5.545 -1.972 1.00 1.73 C ATOM 829 CG GLU A 53 -21.402 -4.763 -0.922 1.00 2.39 C ATOM 830 CD GLU A 53 -20.774 -3.393 -0.657 1.00 2.88 C ATOM 831 OE1 GLU A 53 -19.661 -3.341 -0.098 1.00 3.46 O ATOM 832 OE2 GLU A 53 -21.391 -2.364 -1.007 1.00 3.23 O ATOM 0 H GLU A 53 -19.029 -4.890 -0.148 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.093 -7.442 -1.068 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.067 -4.842 -2.616 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.282 -6.105 -2.608 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.428 -4.636 -1.267 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.446 -5.333 0.006 1.00 2.39 H new ATOM 839 N VAL A 54 -17.545 -7.728 -1.933 1.00 0.84 N ATOM 840 CA VAL A 54 -16.406 -8.116 -2.774 1.00 0.66 C ATOM 841 C VAL A 54 -16.664 -9.448 -3.496 1.00 0.55 C ATOM 842 O VAL A 54 -16.481 -9.522 -4.709 1.00 0.49 O ATOM 843 CB VAL A 54 -15.115 -8.172 -1.930 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.982 -8.892 -2.671 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.679 -6.757 -1.550 1.00 1.34 C ATOM 0 H VAL A 54 -17.570 -8.191 -1.025 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.279 -7.357 -3.546 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.332 -8.741 -1.026 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.091 -8.910 -2.044 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.287 -9.914 -2.898 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.761 -8.365 -3.599 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.767 -6.805 -0.954 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.492 -6.179 -2.455 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.467 -6.277 -0.969 1.00 1.34 H new ATOM 855 N PRO A 55 -17.086 -10.527 -2.787 1.00 0.62 N ATOM 856 CA PRO A 55 -17.341 -11.831 -3.426 1.00 0.59 C ATOM 857 C PRO A 55 -18.747 -11.918 -4.036 1.00 0.58 C ATOM 858 O PRO A 55 -19.744 -11.736 -3.335 1.00 0.83 O ATOM 859 CB PRO A 55 -17.183 -12.832 -2.281 1.00 0.76 C ATOM 860 CG PRO A 55 -17.478 -12.066 -1.024 1.00 0.87 C ATOM 861 CD PRO A 55 -17.343 -10.588 -1.331 1.00 0.83 C ATOM 0 HA PRO A 55 -16.662 -12.015 -4.259 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.869 -13.671 -2.398 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.175 -13.245 -2.259 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.484 -12.291 -0.668 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.788 -12.355 -0.231 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.250 -10.044 -1.066 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.526 -10.139 -0.766 1.00 0.83 H new ATOM 869 N VAL A 56 -18.817 -12.201 -5.338 1.00 0.41 N ATOM 870 CA VAL A 56 -20.092 -12.326 -6.055 1.00 0.43 C ATOM 871 C VAL A 56 -20.050 -13.570 -6.954 1.00 0.42 C ATOM 872 O VAL A 56 -19.070 -13.802 -7.663 1.00 0.43 O ATOM 873 CB VAL A 56 -20.364 -11.057 -6.893 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.614 -11.229 -7.764 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.508 -9.826 -5.989 1.00 0.63 C ATOM 0 H VAL A 56 -17.996 -12.350 -5.925 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.903 -12.435 -5.335 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.508 -10.904 -7.551 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.782 -10.321 -8.343 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.472 -12.071 -8.442 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.478 -11.418 -7.127 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.699 -8.945 -6.602 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.339 -9.976 -5.300 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.588 -9.681 -5.422 1.00 0.63 H new ATOM 885 N SER A 57 -21.111 -14.370 -6.911 1.00 0.47 N ATOM 886 CA SER A 57 -21.214 -15.591 -7.700 1.00 0.48 C ATOM 887 C SER A 57 -21.711 -15.283 -9.117 1.00 0.46 C ATOM 888 O SER A 57 -22.722 -14.599 -9.297 1.00 0.59 O ATOM 889 CB SER A 57 -22.177 -16.531 -6.998 1.00 0.61 C ATOM 890 OG SER A 57 -21.854 -16.644 -5.615 1.00 0.91 O ATOM 0 H SER A 57 -21.926 -14.188 -6.325 1.00 0.47 H new ATOM 0 HA SER A 57 -20.232 -16.055 -7.788 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.197 -16.164 -7.109 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.139 -17.514 -7.467 1.00 0.61 H new ATOM 0 HG SER A 57 -22.487 -17.253 -5.180 1.00 0.91 H new ATOM 896 N LEU A 58 -20.998 -15.797 -10.117 1.00 0.44 N ATOM 897 CA LEU A 58 -21.347 -15.596 -11.527 1.00 0.49 C ATOM 898 C LEU A 58 -22.180 -16.777 -12.040 1.00 0.60 C ATOM 899 O LEU A 58 -21.833 -17.421 -13.034 1.00 0.89 O ATOM 900 CB LEU A 58 -20.060 -15.439 -12.358 1.00 0.67 C ATOM 901 CG LEU A 58 -20.343 -14.803 -13.724 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.330 -13.276 -13.630 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.327 -15.281 -14.761 1.00 0.86 C ATOM 0 H LEU A 58 -20.162 -16.364 -9.976 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.944 -14.690 -11.625 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.346 -14.824 -11.811 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.597 -16.415 -12.500 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.337 -15.117 -14.042 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.533 -12.849 -14.612 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.095 -12.948 -12.926 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.352 -12.941 -13.284 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.545 -14.819 -15.724 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.323 -15.001 -14.443 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -19.388 -16.365 -14.857 1.00 0.86 H new ATOM 915 N LYS A 59 -23.289 -17.055 -11.353 1.00 0.70 N ATOM 916 CA LYS A 59 -24.189 -18.150 -11.723 1.00 0.90 C ATOM 917 C LYS A 59 -25.228 -17.634 -12.723 1.00 0.87 C ATOM 918 O LYS A 59 -26.168 -16.932 -12.345 1.00 0.95 O ATOM 919 CB LYS A 59 -24.869 -18.718 -10.458 1.00 1.13 C ATOM 920 CG LYS A 59 -24.687 -20.236 -10.351 1.00 1.41 C ATOM 921 CD LYS A 59 -25.530 -20.987 -11.385 1.00 1.78 C ATOM 922 CE LYS A 59 -27.024 -20.864 -11.078 1.00 2.18 C ATOM 923 NZ LYS A 59 -27.822 -21.880 -11.817 1.00 2.83 N ATOM 0 H LYS A 59 -23.588 -16.532 -10.530 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.623 -18.954 -12.193 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.451 -18.238 -9.573 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.932 -18.479 -10.478 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -23.635 -20.486 -10.490 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.964 -20.565 -9.349 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.327 -20.591 -12.380 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.244 -22.039 -11.396 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.187 -20.982 -10.007 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.370 -19.865 -11.345 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -28.139 -21.480 -12.723 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -27.235 -22.720 -11.995 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.650 -22.151 -11.249 1.00 2.83 H new ATOM 937 N GLU A 60 -25.037 -17.977 -14.001 1.00 0.89 N ATOM 938 CA GLU A 60 -25.928 -17.559 -15.096 1.00 0.93 C ATOM 939 C GLU A 60 -26.027 -16.031 -15.169 1.00 0.71 C ATOM 940 O GLU A 60 -27.105 -15.455 -15.003 1.00 0.82 O ATOM 941 CB GLU A 60 -27.321 -18.197 -14.935 1.00 1.20 C ATOM 942 CG GLU A 60 -27.245 -19.722 -15.036 1.00 1.43 C ATOM 943 CD GLU A 60 -28.624 -20.334 -14.832 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.044 -20.500 -13.670 1.00 2.33 O ATOM 945 OE2 GLU A 60 -29.295 -20.652 -15.831 1.00 2.04 O ATOM 0 H GLU A 60 -24.256 -18.556 -14.310 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.501 -17.910 -16.036 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.744 -17.914 -13.971 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.992 -17.812 -15.703 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.853 -20.010 -16.011 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.553 -20.109 -14.288 1.00 1.43 H new ATOM 952 N ALA A 61 -24.887 -15.381 -15.423 1.00 0.51 N ATOM 953 CA ALA A 61 -24.821 -13.923 -15.524 1.00 0.35 C ATOM 954 C ALA A 61 -24.988 -13.495 -16.981 1.00 0.35 C ATOM 955 O ALA A 61 -24.177 -13.851 -17.836 1.00 0.43 O ATOM 956 CB ALA A 61 -23.479 -13.418 -14.980 1.00 0.31 C ATOM 0 H ALA A 61 -23.991 -15.848 -15.563 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.627 -13.490 -14.931 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.440 -12.332 -15.060 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.377 -13.709 -13.935 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.665 -13.854 -15.559 1.00 0.31 H new ATOM 962 N ILE A 62 -26.036 -12.725 -17.257 1.00 0.34 N ATOM 963 CA ILE A 62 -26.308 -12.236 -18.606 1.00 0.37 C ATOM 964 C ILE A 62 -25.463 -10.990 -18.874 1.00 0.31 C ATOM 965 O ILE A 62 -25.396 -10.082 -18.040 1.00 0.31 O ATOM 966 CB ILE A 62 -27.800 -11.912 -18.761 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.649 -13.179 -18.593 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.077 -11.268 -20.122 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.142 -12.856 -18.540 1.00 1.27 C ATOM 0 H ILE A 62 -26.716 -12.424 -16.559 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.047 -13.008 -19.330 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.074 -11.203 -17.980 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.453 -13.861 -19.421 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.356 -13.695 -17.679 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.141 -11.047 -20.210 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.506 -10.344 -20.210 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.782 -11.954 -20.916 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.710 -13.779 -18.421 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.342 -12.195 -17.696 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.441 -12.363 -19.465 1.00 1.27 H new ATOM 981 N CYS A 63 -24.822 -10.958 -20.037 1.00 0.34 N ATOM 982 CA CYS A 63 -23.970 -9.839 -20.430 1.00 0.33 C ATOM 983 C CYS A 63 -24.376 -9.341 -21.820 1.00 0.34 C ATOM 984 O CYS A 63 -24.419 -10.115 -22.778 1.00 0.52 O ATOM 985 CB CYS A 63 -22.499 -10.283 -20.409 1.00 0.37 C ATOM 986 SG CYS A 63 -21.366 -8.928 -20.061 1.00 0.53 S ATOM 0 H CYS A 63 -24.877 -11.703 -20.732 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.092 -9.016 -19.726 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.370 -11.061 -19.656 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.244 -10.726 -21.372 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.634 -7.926 -20.845 1.00 0.53 H new ATOM 992 N GLU A 64 -24.681 -8.044 -21.918 1.00 0.26 N ATOM 993 CA GLU A 64 -25.095 -7.413 -23.183 1.00 0.29 C ATOM 994 C GLU A 64 -24.234 -6.173 -23.445 1.00 0.24 C ATOM 995 O GLU A 64 -23.677 -5.594 -22.517 1.00 0.36 O ATOM 996 CB GLU A 64 -26.585 -7.036 -23.111 1.00 0.33 C ATOM 997 CG GLU A 64 -27.281 -7.203 -24.470 1.00 0.81 C ATOM 998 CD GLU A 64 -27.356 -5.872 -25.207 1.00 1.41 C ATOM 999 OE1 GLU A 64 -27.997 -4.936 -24.683 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -26.777 -5.763 -26.306 1.00 1.83 O ATOM 0 H GLU A 64 -24.649 -7.400 -21.128 1.00 0.26 H new ATOM 0 HA GLU A 64 -24.955 -8.114 -24.006 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.083 -7.660 -22.369 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.683 -6.003 -22.777 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -26.738 -7.929 -25.075 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.286 -7.599 -24.323 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.138 -5.766 -24.709 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.344 -4.591 -25.098 1.00 0.32 C ATOM 1009 C VAL A 65 -24.133 -3.300 -24.852 1.00 0.31 C ATOM 1010 O VAL A 65 -25.345 -3.247 -25.082 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.953 -4.688 -26.584 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.913 -3.621 -26.941 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.424 -6.085 -26.926 1.00 0.39 C ATOM 0 H VAL A 65 -24.601 -6.232 -25.489 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.441 -4.569 -24.489 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.850 -4.511 -27.177 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.651 -3.707 -27.995 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.327 -2.631 -26.750 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.020 -3.765 -26.332 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.156 -6.124 -27.982 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.544 -6.299 -26.320 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.196 -6.827 -26.720 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.436 -2.260 -24.398 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.047 -0.958 -24.136 1.00 0.31 C ATOM 1025 C ALA A 66 -23.311 0.126 -24.926 1.00 0.34 C ATOM 1026 O ALA A 66 -22.444 0.846 -24.398 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.057 -0.643 -22.632 1.00 0.36 C ATOM 0 H ALA A 66 -22.436 -2.295 -24.202 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.086 -0.985 -24.466 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.517 0.331 -22.467 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.627 -1.407 -22.104 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.034 -0.629 -22.256 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.679 0.227 -26.202 1.00 0.55 N ATOM 1034 CA LEU A 67 -23.121 1.218 -27.133 1.00 0.71 C ATOM 1035 C LEU A 67 -24.071 2.425 -27.228 1.00 0.89 C ATOM 1036 O LEU A 67 -23.704 3.486 -27.742 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.915 0.579 -28.515 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.424 0.390 -28.822 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.212 -0.724 -29.845 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.806 1.698 -29.319 1.00 1.39 C ATOM 0 H LEU A 67 -24.379 -0.381 -26.627 1.00 0.55 H new ATOM 0 HA LEU A 67 -22.154 1.561 -26.766 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.422 -0.385 -28.552 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.370 1.207 -29.281 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.925 0.100 -27.897 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.146 -0.837 -30.044 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -21.609 -1.660 -29.451 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.730 -0.471 -30.770 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.748 1.543 -29.531 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.315 2.019 -30.228 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.914 2.466 -28.553 1.00 1.39 H new ATOM 1052 N ASP A 68 -25.289 2.252 -26.697 1.00 0.90 N ATOM 1053 CA ASP A 68 -26.325 3.289 -26.661 1.00 1.14 C ATOM 1054 C ASP A 68 -26.053 4.255 -25.502 1.00 0.87 C ATOM 1055 O ASP A 68 -26.448 5.420 -25.542 1.00 1.00 O ATOM 1056 CB ASP A 68 -27.725 2.652 -26.520 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.841 1.711 -25.306 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.794 1.265 -24.796 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.970 1.423 -24.851 1.00 2.62 O ATOM 0 H ASP A 68 -25.585 1.372 -26.274 1.00 0.90 H new ATOM 0 HA ASP A 68 -26.299 3.846 -27.597 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -28.470 3.443 -26.432 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -27.957 2.095 -27.428 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.345 3.761 -24.484 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.968 4.558 -23.316 1.00 0.69 C ATOM 1066 C TYR A 69 -23.714 5.369 -23.671 1.00 0.97 C ATOM 1067 O TYR A 69 -22.607 5.077 -23.208 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.715 3.624 -22.110 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.079 4.243 -20.779 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.342 4.779 -20.577 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.143 4.287 -19.760 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.663 5.356 -19.359 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.466 4.860 -18.545 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.763 5.356 -18.343 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.049 5.965 -17.141 1.00 0.97 O ATOM 0 H TYR A 69 -25.017 2.796 -24.447 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.768 5.245 -23.040 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.289 2.707 -22.244 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.662 3.341 -22.094 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.075 4.747 -21.369 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.158 3.872 -19.915 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.634 5.808 -19.217 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.728 4.925 -17.759 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.287 5.863 -16.533 1.00 0.97 H new ATOM 1085 N LYS A 70 -23.896 6.372 -24.536 1.00 1.40 N ATOM 1086 CA LYS A 70 -22.795 7.220 -25.019 1.00 1.81 C ATOM 1087 C LYS A 70 -22.354 8.249 -23.969 1.00 1.82 C ATOM 1088 O LYS A 70 -22.227 9.437 -24.261 1.00 2.53 O ATOM 1089 CB LYS A 70 -23.217 7.917 -26.324 1.00 2.43 C ATOM 1090 CG LYS A 70 -23.466 6.894 -27.436 1.00 2.98 C ATOM 1091 CD LYS A 70 -23.552 7.560 -28.810 1.00 3.79 C ATOM 1092 CE LYS A 70 -23.621 6.527 -29.941 1.00 4.45 C ATOM 1093 NZ LYS A 70 -24.472 5.356 -29.577 1.00 4.84 N ATOM 0 H LYS A 70 -24.807 6.621 -24.922 1.00 1.40 H new ATOM 0 HA LYS A 70 -21.934 6.580 -25.211 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -24.121 8.501 -26.153 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -22.440 8.616 -26.635 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -22.663 6.157 -27.439 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -24.392 6.356 -27.234 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -24.433 8.201 -28.849 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -22.684 8.203 -28.957 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -24.019 6.999 -30.839 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -22.615 6.183 -30.180 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -24.673 4.795 -30.429 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -23.971 4.765 -28.883 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -25.366 5.691 -29.164 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.086 7.766 -22.761 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.605 8.604 -21.650 1.00 2.22 C ATOM 1109 C LYS A 71 -20.110 8.329 -21.420 1.00 2.19 C ATOM 1110 O LYS A 71 -19.431 9.064 -20.701 1.00 2.78 O ATOM 1111 CB LYS A 71 -22.410 8.307 -20.374 1.00 2.97 C ATOM 1112 CG LYS A 71 -23.892 8.673 -20.534 1.00 3.56 C ATOM 1113 CD LYS A 71 -24.121 10.185 -20.398 1.00 4.44 C ATOM 1114 CE LYS A 71 -24.395 10.843 -21.753 1.00 5.27 C ATOM 1115 NZ LYS A 71 -24.136 12.311 -21.717 1.00 5.62 N ATOM 0 H LYS A 71 -22.194 6.782 -22.516 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.742 9.656 -21.901 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -22.322 7.249 -20.127 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -21.986 8.865 -19.539 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -24.247 8.337 -21.509 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -24.480 8.147 -19.782 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -24.962 10.366 -19.729 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -23.245 10.646 -19.941 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -23.767 10.381 -22.515 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -25.431 10.663 -22.042 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -24.333 12.721 -22.652 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -24.753 12.755 -21.007 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -23.141 12.482 -21.466 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.627 7.267 -22.069 1.00 2.22 N ATOM 1130 CA LYS A 72 -18.236 6.818 -22.017 1.00 2.54 C ATOM 1131 C LYS A 72 -17.890 6.179 -23.371 1.00 1.92 C ATOM 1132 O LYS A 72 -18.677 6.252 -24.321 1.00 2.45 O ATOM 1133 CB LYS A 72 -18.051 5.802 -20.875 1.00 3.71 C ATOM 1134 CG LYS A 72 -18.021 6.482 -19.497 1.00 4.59 C ATOM 1135 CD LYS A 72 -19.308 6.224 -18.699 1.00 5.67 C ATOM 1136 CE LYS A 72 -19.604 7.375 -17.729 1.00 6.56 C ATOM 1137 NZ LYS A 72 -18.462 7.618 -16.803 1.00 7.03 N ATOM 0 H LYS A 72 -20.212 6.679 -22.663 1.00 2.22 H new ATOM 0 HA LYS A 72 -17.572 7.661 -21.825 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -18.862 5.074 -20.902 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -17.123 5.251 -21.027 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -17.164 6.116 -18.931 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -17.883 7.556 -19.626 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -20.145 6.100 -19.386 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -19.212 5.292 -18.142 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -19.815 8.283 -18.294 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -20.499 7.144 -17.151 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -18.750 8.294 -16.067 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -18.179 6.721 -16.359 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -17.659 8.009 -17.337 1.00 7.03 H new ATOM 1151 N LYS A 73 -16.716 5.558 -23.458 1.00 1.52 N ATOM 1152 CA LYS A 73 -16.257 4.909 -24.698 1.00 1.35 C ATOM 1153 C LYS A 73 -17.137 3.704 -25.064 1.00 1.05 C ATOM 1154 O LYS A 73 -17.967 3.783 -25.971 1.00 1.79 O ATOM 1155 CB LYS A 73 -14.795 4.467 -24.548 1.00 1.94 C ATOM 1156 CG LYS A 73 -13.839 5.628 -24.812 1.00 2.32 C ATOM 1157 CD LYS A 73 -12.379 5.167 -24.796 1.00 2.93 C ATOM 1158 CE LYS A 73 -12.027 4.316 -26.023 1.00 3.52 C ATOM 1159 NZ LYS A 73 -12.216 5.064 -27.299 1.00 3.96 N ATOM 0 H LYS A 73 -16.057 5.487 -22.683 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.336 5.637 -25.506 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -14.631 4.078 -23.543 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.585 3.654 -25.243 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -14.069 6.078 -25.778 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -13.986 6.401 -24.057 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -11.725 6.038 -24.760 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.192 4.590 -23.890 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -10.991 3.984 -25.948 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -12.649 3.421 -26.033 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -11.737 4.559 -28.072 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -13.231 5.138 -27.511 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.812 6.018 -27.205 1.00 3.96 H new ATOM 1173 N HIS A 74 -16.936 2.591 -24.362 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.688 1.354 -24.605 1.00 0.38 C ATOM 1175 C HIS A 74 -18.137 0.767 -23.270 1.00 0.30 C ATOM 1176 O HIS A 74 -17.304 0.517 -22.392 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.798 0.340 -25.355 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.784 0.545 -26.844 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.635 0.656 -27.588 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -17.793 0.663 -27.745 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.910 0.833 -28.857 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -17.227 0.844 -28.993 1.00 1.53 N ATOM 0 H HIS A 74 -16.250 2.517 -23.610 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.564 1.573 -25.216 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.779 0.413 -24.976 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.148 -0.669 -25.138 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -14.692 0.607 -27.203 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -18.850 0.623 -27.526 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.189 0.949 -29.652 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.445 0.553 -23.115 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.000 -0.001 -21.881 1.00 0.23 C ATOM 1192 C VAL A 75 -20.734 -1.308 -22.193 1.00 0.22 C ATOM 1193 O VAL A 75 -21.103 -1.568 -23.342 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.956 1.040 -21.253 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.564 0.545 -19.936 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.230 2.372 -21.030 1.00 0.31 C ATOM 0 H VAL A 75 -20.141 0.756 -23.832 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.204 -0.221 -21.170 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.774 1.190 -21.958 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.228 1.309 -19.532 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.130 -0.369 -20.117 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.767 0.342 -19.221 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.918 3.092 -20.588 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.385 2.218 -20.359 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.870 2.754 -21.985 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.963 -2.116 -21.165 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.686 -3.376 -21.303 1.00 0.23 C ATOM 1208 C PHE A 76 -22.506 -3.624 -20.039 1.00 0.22 C ATOM 1209 O PHE A 76 -22.084 -3.290 -18.925 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.737 -4.549 -21.617 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.791 -4.947 -20.502 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.220 -5.803 -19.500 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.506 -4.425 -20.458 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.366 -6.141 -18.462 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.654 -4.756 -19.417 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.035 -5.735 -18.503 1.00 0.29 C ATOM 0 H PHE A 76 -20.654 -1.918 -20.213 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.365 -3.305 -22.153 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.339 -5.417 -21.885 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.145 -4.288 -22.495 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.221 -6.207 -19.528 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.169 -3.758 -21.238 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.732 -6.717 -17.625 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.701 -4.258 -19.315 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.308 -6.173 -17.835 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.690 -4.196 -20.227 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.609 -4.494 -19.129 1.00 0.28 C ATOM 1228 C LYS A 77 -24.282 -5.860 -18.542 1.00 0.31 C ATOM 1229 O LYS A 77 -24.011 -6.807 -19.280 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.062 -4.479 -19.626 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.345 -3.280 -20.540 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.813 -2.838 -20.458 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.730 -3.733 -21.304 1.00 1.76 C ATOM 1234 NZ LYS A 77 -28.796 -3.277 -22.727 1.00 1.95 N ATOM 0 H LYS A 77 -24.042 -4.467 -21.145 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.494 -3.730 -18.360 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.270 -5.403 -20.165 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.737 -4.450 -18.771 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.698 -2.448 -20.260 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.101 -3.541 -21.570 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.141 -2.861 -19.419 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.901 -1.806 -20.797 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.368 -4.760 -21.268 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.732 -3.733 -20.876 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.754 -2.930 -22.936 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.109 -2.511 -22.878 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -28.571 -4.073 -23.357 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.316 -5.949 -17.220 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.033 -7.194 -16.505 1.00 0.24 C ATOM 1250 C LEU A 78 -25.102 -7.412 -15.436 1.00 0.29 C ATOM 1251 O LEU A 78 -25.169 -6.680 -14.445 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.635 -7.134 -15.872 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.204 -8.475 -15.273 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.572 -9.640 -16.190 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.703 -8.491 -14.956 1.00 0.86 C ATOM 0 H LEU A 78 -24.540 -5.163 -16.610 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.052 -8.031 -17.203 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.911 -6.828 -16.627 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.625 -6.372 -15.093 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.748 -8.598 -14.336 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.252 -10.577 -15.734 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.652 -9.659 -16.338 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.076 -9.516 -17.152 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.431 -9.458 -14.532 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.136 -8.324 -15.872 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.474 -7.703 -14.239 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.943 -8.416 -15.656 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.034 -8.751 -14.740 1.00 0.40 C ATOM 1269 C ARG A 79 -26.906 -10.206 -14.294 1.00 0.45 C ATOM 1270 O ARG A 79 -26.782 -11.107 -15.125 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.376 -8.518 -15.457 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.565 -9.086 -14.680 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.883 -8.475 -15.159 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.976 -9.442 -15.041 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.512 -9.773 -13.868 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.797 -8.832 -12.969 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -32.766 -11.048 -13.607 1.00 2.93 N ATOM 0 H ARG A 79 -25.890 -9.023 -16.474 1.00 0.31 H new ATOM 0 HA ARG A 79 -26.987 -8.117 -13.854 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.522 -7.448 -15.607 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.340 -8.977 -16.445 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.598 -10.169 -14.801 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.435 -8.888 -13.616 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.112 -7.586 -14.571 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.785 -8.154 -16.196 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.340 -9.878 -15.888 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.605 -7.852 -13.178 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.208 -9.091 -12.072 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -32.551 -11.763 -14.301 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -33.176 -11.313 -12.712 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.947 -10.435 -12.979 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.850 -11.792 -12.424 1.00 0.68 C ATOM 1293 C LEU A 80 -28.151 -12.571 -12.688 1.00 0.84 C ATOM 1294 O LEU A 80 -29.041 -12.101 -13.404 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.581 -11.715 -10.916 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.276 -10.978 -10.598 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.035 -10.941 -9.084 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.088 -11.624 -11.319 1.00 1.26 C ATOM 0 H LEU A 80 -27.047 -9.701 -12.278 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.026 -12.315 -12.910 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.412 -11.207 -10.426 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.536 -12.723 -10.505 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.370 -9.954 -10.959 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.104 -10.414 -8.877 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.861 -10.424 -8.597 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.968 -11.959 -8.701 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.175 -11.081 -11.075 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.989 -12.661 -11.000 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.254 -11.590 -12.396 1.00 1.26 H new ATOM 1310 N SER A 81 -28.264 -13.761 -12.104 1.00 1.01 N ATOM 1311 CA SER A 81 -29.449 -14.604 -12.262 1.00 1.23 C ATOM 1312 C SER A 81 -30.664 -13.959 -11.587 1.00 1.40 C ATOM 1313 O SER A 81 -31.732 -13.829 -12.190 1.00 1.92 O ATOM 1314 CB SER A 81 -29.177 -16.002 -11.678 1.00 1.52 C ATOM 1315 OG SER A 81 -28.062 -15.989 -10.787 1.00 2.18 O ATOM 0 H SER A 81 -27.541 -14.168 -11.510 1.00 1.01 H new ATOM 0 HA SER A 81 -29.671 -14.706 -13.324 1.00 1.23 H new ATOM 0 HB2 SER A 81 -30.062 -16.355 -11.149 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.988 -16.706 -12.489 1.00 1.52 H new ATOM 0 HG SER A 81 -27.233 -16.093 -11.299 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.479 -13.548 -10.338 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.535 -12.905 -9.551 1.00 1.76 C ATOM 1323 C ASP A 82 -30.912 -12.275 -8.301 1.00 1.31 C ATOM 1324 O ASP A 82 -31.386 -12.486 -7.184 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.609 -13.946 -9.159 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.867 -13.273 -8.607 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.210 -12.168 -9.072 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.507 -13.847 -7.702 1.00 3.77 O ATOM 0 H ASP A 82 -29.595 -13.649 -9.839 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.016 -12.126 -10.143 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.869 -14.547 -10.030 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -32.202 -14.627 -8.412 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.825 -11.523 -8.497 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.107 -10.884 -7.394 1.00 1.53 C ATOM 1335 C GLY A 83 -29.085 -9.368 -7.534 1.00 1.31 C ATOM 1336 O GLY A 83 -29.879 -8.668 -6.874 1.00 1.88 O ATOM 0 H GLY A 83 -29.422 -11.342 -9.416 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -29.578 -11.155 -6.449 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -28.085 -11.260 -7.360 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.159 -8.866 -8.380 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.985 -7.429 -8.603 1.00 0.71 C ATOM 1342 C ASN A 84 -27.772 -7.161 -10.092 1.00 0.62 C ATOM 1343 O ASN A 84 -27.506 -8.094 -10.864 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.749 -6.943 -7.825 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.964 -6.984 -6.306 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.069 -6.777 -5.812 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.895 -7.234 -5.563 1.00 1.32 N ATOM 0 H ASN A 84 -27.519 -9.448 -8.920 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.874 -6.900 -8.261 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.891 -7.563 -8.085 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.509 -5.924 -8.128 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.975 -7.259 -4.546 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -24.993 -7.401 -6.008 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.872 -5.882 -10.475 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.684 -5.430 -11.860 1.00 0.55 C ATOM 1356 C GLU A 85 -26.631 -4.319 -11.893 1.00 0.47 C ATOM 1357 O GLU A 85 -26.713 -3.365 -11.112 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.007 -4.901 -12.406 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.024 -6.026 -12.608 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.370 -5.457 -13.043 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.396 -4.351 -13.624 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.405 -6.105 -12.796 1.00 1.39 O ATOM 0 H GLU A 85 -28.088 -5.125 -9.827 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.348 -6.265 -12.475 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.415 -4.160 -11.718 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.833 -4.393 -13.354 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.658 -6.725 -13.360 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.142 -6.588 -11.682 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.637 -4.439 -12.780 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.562 -3.439 -12.879 1.00 0.31 C ATOM 1371 C TYR A 86 -24.238 -3.069 -14.332 1.00 0.29 C ATOM 1372 O TYR A 86 -24.519 -3.829 -15.265 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.267 -3.986 -12.254 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.429 -4.717 -10.935 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.807 -6.053 -10.914 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -23.160 -4.063 -9.745 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -23.917 -6.723 -9.707 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.264 -4.738 -8.542 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.641 -6.063 -8.527 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.739 -6.733 -7.329 1.00 0.77 O ATOM 0 H TYR A 86 -25.552 -5.214 -13.438 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.921 -2.555 -12.352 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.799 -4.663 -12.968 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.578 -3.154 -12.105 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.015 -6.570 -11.839 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -22.868 -3.023 -9.756 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.218 -7.760 -9.689 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.050 -4.227 -7.615 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.511 -6.125 -6.595 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.564 -1.925 -14.483 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.077 -1.428 -15.775 1.00 0.23 C ATOM 1392 C LEU A 87 -21.550 -1.412 -15.697 1.00 0.22 C ATOM 1393 O LEU A 87 -20.992 -0.895 -14.720 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.566 0.000 -16.060 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.089 0.124 -16.069 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.500 1.509 -16.567 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.727 -0.967 -16.929 1.00 0.38 C ATOM 0 H LEU A 87 -23.338 -1.309 -13.702 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.450 -2.071 -16.572 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.157 0.674 -15.307 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.176 0.325 -17.024 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.448 -0.005 -15.048 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.587 1.587 -16.570 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.083 2.271 -15.908 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.123 1.658 -17.579 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.811 -0.853 -16.916 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.365 -0.881 -17.954 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.460 -1.946 -16.531 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.873 -1.979 -16.695 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.404 -2.030 -16.703 1.00 0.19 C ATOM 1411 C PHE A 88 -18.840 -1.328 -17.940 1.00 0.20 C ATOM 1412 O PHE A 88 -19.228 -1.633 -19.067 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.935 -3.484 -16.667 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.992 -4.082 -15.280 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.978 -3.824 -14.373 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.055 -4.888 -14.912 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.026 -4.370 -13.104 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.105 -5.435 -13.642 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.091 -5.176 -12.737 1.00 0.22 C ATOM 0 H PHE A 88 -21.313 -2.410 -17.508 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.036 -1.510 -15.818 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.554 -4.078 -17.340 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.913 -3.541 -17.041 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.148 -3.195 -14.658 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.847 -5.091 -15.618 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.233 -4.168 -12.399 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.935 -6.064 -13.357 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.130 -5.602 -11.745 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.917 -0.392 -17.718 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.278 0.366 -18.800 1.00 0.26 C ATOM 1431 C GLN A 89 -15.858 -0.147 -19.035 1.00 0.22 C ATOM 1432 O GLN A 89 -15.068 -0.267 -18.091 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.248 1.853 -18.441 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.681 2.719 -19.579 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.423 3.457 -19.113 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.486 4.303 -18.223 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.283 3.143 -19.712 1.00 1.63 N ATOM 0 H GLN A 89 -17.590 -0.136 -16.786 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.853 0.232 -19.716 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.258 2.187 -18.202 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.645 1.996 -17.544 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.445 2.092 -20.439 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.432 3.438 -19.906 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.271 2.435 -20.447 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.418 3.609 -19.438 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.550 -0.431 -20.303 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.234 -0.925 -20.720 1.00 0.24 C ATOM 1448 C ALA A 90 -13.409 0.213 -21.330 1.00 0.27 C ATOM 1449 O ALA A 90 -13.949 1.266 -21.685 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.412 -2.047 -21.746 1.00 0.29 C ATOM 0 H ALA A 90 -16.210 -0.324 -21.074 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.705 -1.310 -19.848 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.434 -2.415 -22.056 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.981 -2.862 -21.299 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.948 -1.664 -22.614 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.100 0.004 -21.450 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.190 1.015 -22.009 1.00 0.44 C ATOM 1458 C LYS A 91 -11.135 0.947 -23.543 1.00 0.49 C ATOM 1459 O LYS A 91 -10.922 1.965 -24.210 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.780 0.827 -21.428 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.083 -0.426 -21.982 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.125 -1.044 -20.958 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.785 -0.305 -20.909 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.068 -0.548 -19.625 1.00 2.29 N ATOM 0 H LYS A 91 -11.638 -0.860 -21.167 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.575 1.997 -21.733 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.176 1.706 -21.654 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.844 0.755 -20.342 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.834 -1.163 -22.268 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.531 -0.166 -22.885 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.587 -1.024 -19.971 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.953 -2.091 -21.208 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.160 -0.629 -21.742 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.954 0.764 -21.034 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.165 -0.032 -19.628 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.654 -0.216 -18.832 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -5.884 -1.566 -19.517 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.302 -0.257 -24.096 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.247 -0.476 -25.551 1.00 0.66 C ATOM 1480 C ASP A 92 -12.210 -1.600 -25.955 1.00 0.59 C ATOM 1481 O ASP A 92 -12.636 -2.399 -25.115 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.802 -0.834 -25.957 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.631 -0.853 -27.475 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.309 0.200 -28.060 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.820 -1.927 -28.083 1.00 2.01 O ATOM 0 H ASP A 92 -11.478 -1.104 -23.556 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.550 0.435 -26.067 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.112 -0.111 -25.522 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.540 -1.810 -25.549 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.528 -1.662 -27.252 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.427 -2.686 -27.814 1.00 0.63 C ATOM 1492 C ASP A 93 -12.878 -4.094 -27.556 1.00 0.49 C ATOM 1493 O ASP A 93 -13.630 -4.995 -27.181 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.602 -2.458 -29.327 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.686 -3.374 -29.901 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.877 -2.994 -29.879 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.351 -4.479 -30.371 1.00 2.13 O ATOM 0 H ASP A 93 -12.171 -1.005 -27.946 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.396 -2.600 -27.323 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.866 -1.417 -29.513 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.657 -2.644 -29.838 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.561 -4.270 -27.738 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.904 -5.564 -27.507 1.00 0.41 C ATOM 1504 C GLU A 94 -11.112 -6.014 -26.060 1.00 0.36 C ATOM 1505 O GLU A 94 -11.440 -7.172 -25.798 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.406 -5.464 -27.809 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.144 -5.171 -29.289 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.719 -5.563 -29.654 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.779 -4.830 -29.280 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.541 -6.587 -30.346 1.00 2.59 O ATOM 0 H GLU A 94 -10.929 -3.531 -28.045 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.350 -6.300 -28.175 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.964 -4.677 -27.199 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.916 -6.397 -27.531 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.851 -5.723 -29.908 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.302 -4.112 -29.492 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.946 -5.076 -25.124 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.135 -5.347 -23.696 1.00 0.29 C ATOM 1519 C GLU A 95 -12.604 -5.685 -23.413 1.00 0.24 C ATOM 1520 O GLU A 95 -12.906 -6.678 -22.750 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.698 -4.131 -22.865 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.361 -4.527 -21.420 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.511 -3.342 -20.468 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -11.313 -2.429 -20.748 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.822 -3.323 -19.432 1.00 1.30 O ATOM 0 H GLU A 95 -10.679 -4.114 -25.332 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.520 -6.202 -23.415 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.827 -3.667 -23.328 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.494 -3.386 -22.863 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.017 -5.337 -21.101 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.340 -4.906 -21.374 1.00 0.42 H new ATOM 1532 N MET A 96 -13.509 -4.856 -23.946 1.00 0.24 N ATOM 1533 CA MET A 96 -14.958 -5.044 -23.785 1.00 0.22 C ATOM 1534 C MET A 96 -15.387 -6.428 -24.295 1.00 0.22 C ATOM 1535 O MET A 96 -16.124 -7.147 -23.620 1.00 0.23 O ATOM 1536 CB MET A 96 -15.708 -3.941 -24.552 1.00 0.26 C ATOM 1537 CG MET A 96 -17.159 -3.795 -24.076 1.00 0.39 C ATOM 1538 SD MET A 96 -18.252 -3.177 -25.372 1.00 0.94 S ATOM 1539 CE MET A 96 -18.148 -4.509 -26.575 1.00 0.77 C ATOM 0 H MET A 96 -13.260 -4.037 -24.500 1.00 0.24 H new ATOM 0 HA MET A 96 -15.205 -4.981 -22.725 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.187 -2.992 -24.424 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.697 -4.169 -25.618 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.523 -4.762 -23.728 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.192 -3.117 -23.223 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.646 -4.150 -27.473 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.583 -5.339 -26.151 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.152 -4.847 -26.832 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.898 -6.797 -25.482 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.206 -8.095 -26.096 1.00 0.28 C ATOM 1551 C ASN A 97 -14.707 -9.248 -25.212 1.00 0.26 C ATOM 1552 O ASN A 97 -15.428 -10.219 -24.989 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.572 -8.167 -27.498 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.939 -9.474 -28.211 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.111 -9.731 -28.494 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -13.941 -10.297 -28.501 1.00 1.24 N ATOM 0 H ASN A 97 -14.281 -6.210 -26.043 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.287 -8.194 -26.191 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.907 -7.319 -28.095 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.488 -8.089 -27.413 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.130 -11.180 -28.976 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -12.985 -10.047 -28.250 1.00 1.24 H new ATOM 1563 N THR A 98 -13.478 -9.124 -24.702 1.00 0.25 N ATOM 1564 CA THR A 98 -12.883 -10.150 -23.833 1.00 0.27 C ATOM 1565 C THR A 98 -13.685 -10.303 -22.530 1.00 0.23 C ATOM 1566 O THR A 98 -13.922 -11.420 -22.069 1.00 0.27 O ATOM 1567 CB THR A 98 -11.417 -9.796 -23.526 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.741 -9.438 -24.728 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.697 -10.973 -22.866 1.00 0.39 C ATOM 0 H THR A 98 -12.872 -8.322 -24.875 1.00 0.25 H new ATOM 0 HA THR A 98 -12.913 -11.105 -24.358 1.00 0.27 H new ATOM 0 HB THR A 98 -11.409 -8.952 -22.836 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.906 -8.493 -24.927 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.663 -10.697 -22.659 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.198 -11.229 -21.932 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.716 -11.833 -23.535 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.106 -9.176 -21.944 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.887 -9.180 -20.697 1.00 0.20 C ATOM 1579 C TRP A 99 -16.241 -9.870 -20.901 1.00 0.21 C ATOM 1580 O TRP A 99 -16.602 -10.775 -20.144 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.100 -7.737 -20.196 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.945 -7.209 -19.390 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.143 -6.149 -19.704 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.470 -7.715 -18.121 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.204 -5.999 -18.721 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.375 -6.928 -17.742 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.861 -8.757 -17.279 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.679 -7.154 -16.565 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.170 -8.984 -16.098 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.088 -8.190 -15.745 1.00 0.29 C ATOM 0 H TRP A 99 -13.919 -8.244 -22.314 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.326 -9.738 -19.947 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.265 -7.083 -21.053 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.004 -7.701 -19.589 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.235 -5.530 -20.585 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.474 -5.287 -18.722 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.699 -9.384 -17.546 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.836 -6.535 -16.294 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.478 -9.788 -15.446 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.561 -8.383 -14.822 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.981 -9.444 -21.927 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.301 -10.016 -22.239 1.00 0.24 C ATOM 1603 C ILE A 100 -18.199 -11.522 -22.533 1.00 0.28 C ATOM 1604 O ILE A 100 -19.025 -12.311 -22.063 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.921 -9.271 -23.432 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.221 -7.815 -23.058 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.198 -9.964 -23.932 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.620 -7.006 -24.286 1.00 0.29 C ATOM 0 H ILE A 100 -16.690 -8.701 -22.562 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.946 -9.894 -21.369 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.193 -9.288 -24.243 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.023 -7.783 -22.321 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.343 -7.367 -22.593 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.607 -9.408 -24.776 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.961 -10.980 -24.248 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.933 -9.996 -23.128 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.827 -5.977 -23.992 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.806 -7.019 -25.011 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.513 -7.442 -24.735 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.180 -11.919 -23.304 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.971 -13.333 -23.652 1.00 0.35 C ATOM 1622 C GLN A 101 -16.572 -14.149 -22.415 1.00 0.36 C ATOM 1623 O GLN A 101 -17.069 -15.259 -22.217 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.901 -13.456 -24.746 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.491 -13.198 -26.142 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.782 -14.048 -27.196 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -15.088 -13.525 -28.069 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.946 -15.357 -27.109 1.00 1.76 N ATOM 0 H GLN A 101 -16.487 -11.283 -23.699 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.910 -13.736 -24.032 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.098 -12.745 -24.552 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.460 -14.452 -24.715 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.557 -13.428 -26.140 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.393 -12.142 -26.394 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.529 -15.750 -26.370 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.489 -15.974 -27.781 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.692 -13.590 -21.574 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.248 -14.267 -20.344 1.00 0.37 C ATOM 1639 C ALA A 102 -16.438 -14.514 -19.409 1.00 0.38 C ATOM 1640 O ALA A 102 -16.558 -15.582 -18.812 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.183 -13.429 -19.623 1.00 0.38 C ATOM 0 H ALA A 102 -15.273 -12.672 -21.721 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.812 -15.227 -20.621 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.867 -13.945 -18.716 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.324 -13.289 -20.279 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.601 -12.457 -19.361 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.322 -13.520 -19.304 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.518 -13.611 -18.460 1.00 0.38 C ATOM 1649 C ILE A 103 -19.517 -14.634 -19.032 1.00 0.47 C ATOM 1650 O ILE A 103 -20.214 -15.321 -18.282 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.163 -12.221 -18.351 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.266 -11.280 -17.528 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.559 -12.292 -17.727 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.488 -9.813 -17.898 1.00 0.35 C ATOM 0 H ILE A 103 -17.231 -12.633 -19.799 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.231 -13.954 -17.466 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.268 -11.827 -19.362 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.469 -11.421 -16.466 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.220 -11.541 -17.690 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.982 -11.289 -17.667 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.202 -12.921 -18.343 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.489 -12.717 -16.726 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.835 -9.183 -17.294 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.260 -9.665 -18.954 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.527 -9.544 -17.711 1.00 0.35 H new ATOM 1666 N SER A 104 -19.576 -14.727 -20.365 1.00 0.53 N ATOM 1667 CA SER A 104 -20.481 -15.657 -21.050 1.00 0.66 C ATOM 1668 C SER A 104 -19.997 -17.107 -20.911 1.00 0.72 C ATOM 1669 O SER A 104 -20.794 -18.015 -20.673 1.00 0.89 O ATOM 1670 CB SER A 104 -20.587 -15.282 -22.533 1.00 0.81 C ATOM 1671 OG SER A 104 -21.075 -13.955 -22.685 1.00 1.05 O ATOM 0 H SER A 104 -19.003 -14.165 -20.995 1.00 0.53 H new ATOM 0 HA SER A 104 -21.463 -15.582 -20.584 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.609 -15.371 -23.006 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.252 -15.979 -23.042 1.00 0.81 H new ATOM 0 HG SER A 104 -20.346 -13.319 -22.530 1.00 1.05 H new ATOM 1677 N SER A 105 -18.686 -17.317 -21.068 1.00 0.80 N ATOM 1678 CA SER A 105 -18.086 -18.656 -20.970 1.00 1.13 C ATOM 1679 C SER A 105 -18.041 -19.151 -19.515 1.00 1.23 C ATOM 1680 O SER A 105 -18.188 -20.348 -19.262 1.00 1.61 O ATOM 1681 CB SER A 105 -16.671 -18.635 -21.561 1.00 1.48 C ATOM 1682 OG SER A 105 -16.685 -18.111 -22.887 1.00 1.63 O ATOM 0 H SER A 105 -18.015 -16.574 -21.265 1.00 0.80 H new ATOM 0 HA SER A 105 -18.710 -19.347 -21.537 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.018 -18.029 -20.932 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.260 -19.644 -21.568 1.00 1.48 H new ATOM 0 HG SER A 105 -16.794 -17.138 -22.853 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.837 -18.221 -18.570 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.770 -18.534 -17.136 1.00 1.59 C ATOM 1690 C ALA A 106 -16.584 -19.455 -16.832 1.00 2.40 C ATOM 1691 O ALA A 106 -16.792 -20.552 -16.273 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.087 -19.159 -16.661 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.437 -19.076 -17.151 1.00 3.05 O ATOM 0 H ALA A 106 -17.714 -17.230 -18.779 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.617 -17.604 -16.589 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.020 -19.384 -15.597 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.905 -18.459 -16.833 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.274 -20.079 -17.216 1.00 1.90 H new TER 1699 ALA A 106