USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 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 84 ASN : amide:sc= 0.948 K(o=1.9,f=-1.9!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.973 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 164:sc= 1.73 (180deg=1.17) USER MOD Set 2.2: A 69 TYR OH : rot 30:sc= 0.52 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.911 K(o=1.6,f=-1.7) USER MOD Set 3.2: A 50 TYR OH : rot 61:sc= 1.11 USER MOD Set 3.3: A 51 HIS : no HD1:sc= -0.626 K(o=1.6,f=0.65) USER MOD Set 3.4: A 52 SER OG : rot 76:sc= 0.215 USER MOD Set 4.1: A 15 ASN : amide:sc= 1.01 K(o=2.2,f=-8.4!) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 159:sc= 1.2 (180deg=-0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00322 (180deg=-0.188) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 9 HIS : no HE2:sc= -1.4! C(o=-1.4!,f=-22!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= 1.12 (180deg=-1.14) USER MOD Single : A 19 SER OG : rot -12:sc= 0.804 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0722 K(o=-0.072,f=-2.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -165:sc= 0.0799 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 32 ASN : amide:sc= -0.0619 K(o=-0.062,f=-0.62) USER MOD Single : A 33 GLN : amide:sc= 0.358 X(o=0.36,f=-0.076) USER MOD Single : A 35 MET CE :methyl -162:sc= -0.81 (180deg=-0.884) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 68:sc= 0.998 USER MOD Single : A 46 SER OG : rot 83:sc= 0.219 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -130:sc= -0.46 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= 1.26 (180deg=-0.755) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.00041) USER MOD Single : A 77 LYS NZ :NH3+ 136:sc= 2.26 (180deg=-0.468) USER MOD Single : A 81 SER OG : rot 180:sc= 0.115 USER MOD Single : A 89 GLN : amide:sc= 0.833 K(o=0.83,f=-0.21) USER MOD Single : A 91 LYS NZ :NH3+ 146:sc= 1.76 (180deg=0.706!) USER MOD Single : A 96 MET CE :methyl 152:sc= -0.28 (180deg=-1.22) USER MOD Single : A 97 ASN : amide:sc= -0.0536 K(o=-0.054,f=-1.8!) USER MOD Single : A 98 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 86:sc= 1.29 USER MOD Single : A 105 SER OG : rot 81:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.160 -12.081 -17.667 1.00 1.74 N ATOM 2 CA MET A 1 -9.279 -12.788 -16.365 1.00 1.02 C ATOM 3 C MET A 1 -9.341 -11.773 -15.226 1.00 0.87 C ATOM 4 O MET A 1 -10.294 -11.770 -14.440 1.00 1.29 O ATOM 5 CB MET A 1 -8.106 -13.756 -16.144 1.00 1.60 C ATOM 6 CG MET A 1 -8.148 -14.926 -17.126 1.00 2.33 C ATOM 7 SD MET A 1 -6.722 -16.011 -16.958 1.00 3.31 S ATOM 8 CE MET A 1 -7.130 -17.296 -18.151 1.00 4.33 C ATOM 0 H1 MET A 1 -9.372 -12.742 -18.442 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.833 -11.288 -17.694 1.00 1.74 H new ATOM 0 H3 MET A 1 -8.192 -11.717 -17.777 1.00 1.74 H new ATOM 0 HA MET A 1 -10.199 -13.373 -16.381 1.00 1.02 H new ATOM 0 HB2 MET A 1 -7.164 -13.219 -16.257 1.00 1.60 H new ATOM 0 HB3 MET A 1 -8.135 -14.136 -15.123 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.060 -15.501 -16.964 1.00 2.33 H new ATOM 0 HG3 MET A 1 -8.191 -14.541 -18.145 1.00 2.33 H new ATOM 0 HE1 MET A 1 -6.339 -18.045 -18.163 1.00 4.33 H new ATOM 0 HE2 MET A 1 -8.072 -17.767 -17.870 1.00 4.33 H new ATOM 0 HE3 MET A 1 -7.227 -16.854 -19.143 1.00 4.33 H new ATOM 20 N GLU A 2 -8.320 -10.914 -15.136 1.00 0.51 N ATOM 21 CA GLU A 2 -8.235 -9.884 -14.093 1.00 0.37 C ATOM 22 C GLU A 2 -7.845 -8.539 -14.716 1.00 0.34 C ATOM 23 O GLU A 2 -7.065 -8.495 -15.669 1.00 0.48 O ATOM 24 CB GLU A 2 -7.188 -10.265 -13.023 1.00 0.53 C ATOM 25 CG GLU A 2 -7.075 -11.784 -12.792 1.00 0.96 C ATOM 26 CD GLU A 2 -5.986 -12.408 -13.669 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.572 -11.763 -14.652 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.543 -13.540 -13.380 1.00 2.16 O ATOM 0 H GLU A 2 -7.531 -10.912 -15.782 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.213 -9.805 -13.619 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.215 -9.877 -13.323 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.448 -9.780 -12.082 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.853 -11.977 -11.743 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.033 -12.258 -13.008 1.00 0.96 H new ATOM 35 N GLY A 3 -8.374 -7.446 -14.167 1.00 0.25 N ATOM 36 CA GLY A 3 -8.061 -6.106 -14.668 1.00 0.28 C ATOM 37 C GLY A 3 -9.020 -5.060 -14.105 1.00 0.22 C ATOM 38 O GLY A 3 -10.045 -5.392 -13.499 1.00 0.22 O ATOM 0 H GLY A 3 -9.020 -7.461 -13.377 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.038 -5.845 -14.398 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.115 -6.102 -15.757 1.00 0.28 H new ATOM 42 N PHE A 4 -8.678 -3.787 -14.317 1.00 0.24 N ATOM 43 CA PHE A 4 -9.500 -2.668 -13.846 1.00 0.21 C ATOM 44 C PHE A 4 -10.741 -2.517 -14.719 1.00 0.22 C ATOM 45 O PHE A 4 -10.704 -2.768 -15.927 1.00 0.27 O ATOM 46 CB PHE A 4 -8.703 -1.360 -13.872 1.00 0.23 C ATOM 47 CG PHE A 4 -8.015 -1.059 -12.562 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.759 -0.806 -11.423 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.630 -1.049 -12.501 1.00 0.34 C ATOM 50 CE1 PHE A 4 -8.117 -0.544 -10.222 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.992 -0.784 -11.304 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.771 -0.482 -10.158 1.00 0.41 C ATOM 0 H PHE A 4 -7.834 -3.504 -14.814 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.801 -2.882 -12.820 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.956 -1.412 -14.664 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.374 -0.538 -14.120 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.838 -0.813 -11.469 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.049 -1.248 -13.389 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.702 -0.388 -9.327 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.914 -0.807 -11.242 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.287 -0.202 -9.234 1.00 0.41 H new ATOM 62 N LEU A 5 -11.826 -2.098 -14.096 1.00 0.19 N ATOM 63 CA LEU A 5 -13.097 -1.899 -14.780 1.00 0.21 C ATOM 64 C LEU A 5 -13.900 -0.811 -14.075 1.00 0.20 C ATOM 65 O LEU A 5 -13.894 -0.715 -12.845 1.00 0.21 O ATOM 66 CB LEU A 5 -13.911 -3.206 -14.773 1.00 0.23 C ATOM 67 CG LEU A 5 -13.785 -3.993 -16.081 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.574 -5.294 -15.971 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.257 -3.172 -17.284 1.00 0.31 C ATOM 0 H LEU A 5 -11.855 -1.885 -13.099 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.896 -1.600 -15.809 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.578 -3.831 -13.945 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.961 -2.973 -14.594 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.732 -4.222 -16.244 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.484 -5.854 -16.902 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.179 -5.891 -15.149 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.624 -5.068 -15.783 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.152 -3.765 -18.193 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.303 -2.897 -17.149 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.652 -2.269 -17.368 1.00 0.31 H new ATOM 81 N ASN A 6 -14.639 -0.033 -14.854 1.00 0.22 N ATOM 82 CA ASN A 6 -15.509 1.006 -14.300 1.00 0.23 C ATOM 83 C ASN A 6 -16.797 0.303 -13.892 1.00 0.22 C ATOM 84 O ASN A 6 -17.378 -0.416 -14.699 1.00 0.26 O ATOM 85 CB ASN A 6 -15.767 2.118 -15.337 1.00 0.28 C ATOM 86 CG ASN A 6 -15.409 3.489 -14.759 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.898 3.873 -13.698 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.550 4.223 -15.449 1.00 1.24 N ATOM 0 H ASN A 6 -14.656 -0.098 -15.872 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.051 1.499 -13.443 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.176 1.930 -16.234 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.815 2.106 -15.637 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.272 5.142 -15.104 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.166 3.870 -16.325 1.00 1.24 H new ATOM 95 N ARG A 7 -17.201 0.446 -12.632 1.00 0.23 N ATOM 96 CA ARG A 7 -18.388 -0.243 -12.110 1.00 0.24 C ATOM 97 C ARG A 7 -19.469 0.746 -11.659 1.00 0.25 C ATOM 98 O ARG A 7 -19.183 1.732 -10.977 1.00 0.32 O ATOM 99 CB ARG A 7 -17.958 -1.139 -10.936 1.00 0.28 C ATOM 100 CG ARG A 7 -19.105 -2.000 -10.394 1.00 0.34 C ATOM 101 CD ARG A 7 -19.459 -1.611 -8.956 1.00 0.54 C ATOM 102 NE ARG A 7 -18.483 -2.169 -8.013 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.180 -1.567 -6.862 1.00 1.16 C ATOM 104 NH1 ARG A 7 -17.756 -0.311 -6.866 1.00 1.71 N ATOM 105 NH2 ARG A 7 -18.330 -2.214 -5.717 1.00 1.46 N ATOM 0 H ARG A 7 -16.725 1.034 -11.948 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.822 -0.847 -12.907 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.144 -1.788 -11.259 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.568 -0.515 -10.132 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.982 -1.885 -11.031 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -18.822 -3.052 -10.429 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.482 -0.525 -8.863 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -20.457 -1.974 -8.711 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.020 -3.048 -8.246 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.662 0.193 -7.748 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -17.524 0.152 -5.987 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -18.677 -3.173 -5.715 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -18.098 -1.754 -4.837 1.00 1.46 H new ATOM 119 N LYS A 8 -20.713 0.449 -12.043 1.00 0.27 N ATOM 120 CA LYS A 8 -21.885 1.259 -11.695 1.00 0.29 C ATOM 121 C LYS A 8 -23.096 0.333 -11.611 1.00 0.29 C ATOM 122 O LYS A 8 -23.340 -0.446 -12.529 1.00 0.38 O ATOM 123 CB LYS A 8 -22.115 2.333 -12.764 1.00 0.36 C ATOM 124 CG LYS A 8 -23.268 3.283 -12.403 1.00 0.37 C ATOM 125 CD LYS A 8 -24.219 3.509 -13.586 1.00 0.50 C ATOM 126 CE LYS A 8 -25.662 3.119 -13.232 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.661 3.861 -14.055 1.00 1.02 N ATOM 0 H LYS A 8 -20.938 -0.369 -12.610 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.728 1.757 -10.738 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.200 2.911 -12.897 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.330 1.852 -13.718 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.827 2.872 -11.562 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.861 4.240 -12.077 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.187 4.557 -13.884 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.882 2.924 -14.442 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.794 2.047 -13.381 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.843 3.319 -12.176 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.585 3.389 -13.987 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.743 4.837 -13.705 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.351 3.875 -15.048 1.00 1.02 H new ATOM 141 N HIS A 9 -23.862 0.406 -10.521 1.00 0.43 N ATOM 142 CA HIS A 9 -25.047 -0.452 -10.368 1.00 0.52 C ATOM 143 C HIS A 9 -26.284 0.241 -10.962 1.00 0.58 C ATOM 144 O HIS A 9 -26.484 1.440 -10.772 1.00 0.73 O ATOM 145 CB HIS A 9 -25.259 -0.863 -8.889 1.00 0.68 C ATOM 146 CG HIS A 9 -25.704 0.233 -7.958 1.00 0.88 C ATOM 147 ND1 HIS A 9 -26.339 -0.018 -6.770 1.00 1.21 N ATOM 148 CD2 HIS A 9 -25.625 1.584 -8.028 1.00 1.22 C ATOM 149 CE1 HIS A 9 -26.636 1.089 -6.146 1.00 1.69 C ATOM 150 NE2 HIS A 9 -26.215 2.097 -6.887 1.00 1.75 N ATOM 0 H HIS A 9 -23.690 1.039 -9.740 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.884 -1.375 -10.925 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.999 -1.663 -8.857 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.325 -1.278 -8.510 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -26.552 -0.951 -6.418 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -25.182 2.156 -8.829 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -27.137 1.167 -5.193 1.00 1.69 H new ATOM 158 N GLU A 10 -27.086 -0.516 -11.713 1.00 0.60 N ATOM 159 CA GLU A 10 -28.290 0.019 -12.371 1.00 0.73 C ATOM 160 C GLU A 10 -29.562 -0.576 -11.764 1.00 0.83 C ATOM 161 O GLU A 10 -30.576 0.113 -11.654 1.00 1.00 O ATOM 162 CB GLU A 10 -28.215 -0.285 -13.882 1.00 0.79 C ATOM 163 CG GLU A 10 -29.428 0.244 -14.670 1.00 1.28 C ATOM 164 CD GLU A 10 -29.306 1.740 -14.940 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.908 2.489 -14.028 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.624 2.175 -16.062 1.00 1.72 O ATOM 0 H GLU A 10 -26.926 -1.509 -11.884 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.329 1.097 -12.217 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.305 0.156 -14.290 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.139 -1.363 -14.026 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.512 -0.292 -15.615 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.342 0.047 -14.110 1.00 1.28 H new ATOM 173 N TRP A 11 -29.519 -1.850 -11.380 1.00 0.82 N ATOM 174 CA TRP A 11 -30.688 -2.516 -10.805 1.00 0.96 C ATOM 175 C TRP A 11 -30.293 -3.381 -9.608 1.00 0.94 C ATOM 176 O TRP A 11 -29.284 -4.085 -9.643 1.00 0.84 O ATOM 177 CB TRP A 11 -31.368 -3.376 -11.886 1.00 1.08 C ATOM 178 CG TRP A 11 -32.716 -3.899 -11.473 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.806 -3.157 -11.121 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.114 -5.282 -11.362 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.830 -4.001 -10.812 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.449 -5.297 -10.946 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.475 -6.499 -11.579 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.142 -6.476 -10.738 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.161 -7.685 -11.374 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.485 -7.674 -10.959 1.00 1.53 C ATOM 0 H TRP A 11 -28.691 -2.441 -11.456 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.386 -1.757 -10.451 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.479 -2.784 -12.794 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.720 -4.217 -12.131 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.850 -2.078 -11.092 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.759 -3.699 -10.519 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.446 -6.519 -11.907 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.171 -6.462 -10.411 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.660 -8.628 -11.539 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -35.007 -8.607 -10.807 1.00 1.53 H new ATOM 197 N GLU A 12 -31.130 -3.342 -8.573 1.00 1.16 N ATOM 198 CA GLU A 12 -30.940 -4.141 -7.356 1.00 1.26 C ATOM 199 C GLU A 12 -32.095 -3.916 -6.371 1.00 1.56 C ATOM 200 O GLU A 12 -32.362 -4.768 -5.525 1.00 2.03 O ATOM 201 CB GLU A 12 -29.591 -3.856 -6.670 1.00 1.34 C ATOM 202 CG GLU A 12 -29.400 -2.385 -6.288 1.00 1.63 C ATOM 203 CD GLU A 12 -28.296 -2.269 -5.244 1.00 1.81 C ATOM 204 OE1 GLU A 12 -27.112 -2.194 -5.626 1.00 2.05 O ATOM 205 OE2 GLU A 12 -28.612 -2.227 -4.038 1.00 2.09 O ATOM 0 H GLU A 12 -31.963 -2.754 -8.551 1.00 1.16 H new ATOM 0 HA GLU A 12 -30.933 -5.186 -7.664 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -29.512 -4.470 -5.773 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -28.783 -4.159 -7.336 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -29.143 -1.800 -7.171 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -30.331 -1.977 -5.895 1.00 1.63 H new ATOM 212 N ALA A 13 -32.779 -2.766 -6.483 1.00 1.77 N ATOM 213 CA ALA A 13 -33.907 -2.430 -5.596 1.00 2.14 C ATOM 214 C ALA A 13 -35.240 -3.008 -6.110 1.00 2.15 C ATOM 215 O ALA A 13 -36.310 -2.510 -5.754 1.00 2.54 O ATOM 216 CB ALA A 13 -34.015 -0.907 -5.443 1.00 2.70 C ATOM 0 H ALA A 13 -32.571 -2.051 -7.180 1.00 1.77 H new ATOM 0 HA ALA A 13 -33.709 -2.883 -4.624 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -34.851 -0.666 -4.786 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -33.092 -0.518 -5.013 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -34.179 -0.454 -6.421 1.00 2.70 H new ATOM 222 N HIS A 14 -35.159 -4.074 -6.921 1.00 2.38 N ATOM 223 CA HIS A 14 -36.333 -4.782 -7.485 1.00 2.81 C ATOM 224 C HIS A 14 -37.234 -3.871 -8.338 1.00 2.77 C ATOM 225 O HIS A 14 -37.160 -3.888 -9.566 1.00 3.31 O ATOM 226 CB HIS A 14 -37.160 -5.448 -6.365 1.00 3.51 C ATOM 227 CG HIS A 14 -36.532 -6.699 -5.821 1.00 3.99 C ATOM 228 ND1 HIS A 14 -37.239 -7.846 -5.566 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.252 -6.998 -5.479 1.00 4.33 C ATOM 230 CE1 HIS A 14 -36.458 -8.790 -5.099 1.00 5.34 C ATOM 231 NE2 HIS A 14 -35.228 -8.306 -5.031 1.00 5.13 N ATOM 0 H HIS A 14 -34.269 -4.478 -7.211 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.937 -5.550 -8.149 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -37.296 -4.735 -5.551 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -38.152 -5.686 -6.749 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -34.404 -6.333 -5.545 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -36.764 -9.787 -4.819 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -34.404 -8.811 -4.704 1.00 5.13 H new ATOM 239 N ASN A 15 -38.099 -3.105 -7.679 1.00 2.64 N ATOM 240 CA ASN A 15 -39.041 -2.205 -8.361 1.00 2.83 C ATOM 241 C ASN A 15 -38.323 -0.983 -8.952 1.00 2.48 C ATOM 242 O ASN A 15 -38.532 -0.631 -10.116 1.00 2.96 O ATOM 243 CB ASN A 15 -40.131 -1.767 -7.360 1.00 3.64 C ATOM 244 CG ASN A 15 -41.110 -0.764 -7.979 1.00 4.19 C ATOM 245 OD1 ASN A 15 -41.021 0.437 -7.728 1.00 4.25 O ATOM 246 ND2 ASN A 15 -42.039 -1.250 -8.785 1.00 4.99 N ATOM 0 H ASN A 15 -38.171 -3.086 -6.662 1.00 2.64 H new ATOM 0 HA ASN A 15 -39.500 -2.739 -9.193 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -40.680 -2.643 -7.015 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -39.660 -1.321 -6.484 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -42.714 -0.622 -9.223 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -42.081 -2.252 -8.969 1.00 4.99 H new ATOM 253 N LYS A 16 -37.495 -0.334 -8.138 1.00 2.30 N ATOM 254 CA LYS A 16 -36.757 0.865 -8.557 1.00 2.46 C ATOM 255 C LYS A 16 -35.342 0.519 -9.035 1.00 2.10 C ATOM 256 O LYS A 16 -34.811 -0.561 -8.744 1.00 2.44 O ATOM 257 CB LYS A 16 -36.683 1.853 -7.380 1.00 3.26 C ATOM 258 CG LYS A 16 -38.061 2.448 -7.059 1.00 3.87 C ATOM 259 CD LYS A 16 -38.626 1.893 -5.748 1.00 4.83 C ATOM 260 CE LYS A 16 -39.908 2.623 -5.326 1.00 5.52 C ATOM 261 NZ LYS A 16 -40.843 2.819 -6.471 1.00 6.03 N ATOM 0 H LYS A 16 -37.314 -0.618 -7.175 1.00 2.30 H new ATOM 0 HA LYS A 16 -37.288 1.318 -9.394 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -36.291 1.343 -6.500 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -35.986 2.656 -7.620 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.982 3.533 -6.991 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -38.751 2.229 -7.874 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -38.835 0.829 -5.863 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -37.878 1.988 -4.961 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -40.408 2.053 -4.543 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -39.649 3.592 -4.899 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -41.805 2.977 -6.110 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -40.542 3.644 -7.028 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -40.835 1.972 -7.075 1.00 6.03 H new ATOM 275 N LYS A 17 -34.730 1.465 -9.749 1.00 1.88 N ATOM 276 CA LYS A 17 -33.365 1.311 -10.253 1.00 1.62 C ATOM 277 C LYS A 17 -32.371 1.747 -9.169 1.00 1.62 C ATOM 278 O LYS A 17 -32.770 2.144 -8.070 1.00 2.06 O ATOM 279 CB LYS A 17 -33.178 2.128 -11.542 1.00 1.84 C ATOM 280 CG LYS A 17 -33.322 3.638 -11.323 1.00 2.30 C ATOM 281 CD LYS A 17 -32.851 4.410 -12.559 1.00 2.75 C ATOM 282 CE LYS A 17 -31.330 4.616 -12.555 1.00 3.27 C ATOM 283 NZ LYS A 17 -30.737 4.413 -13.908 1.00 3.75 N ATOM 0 H LYS A 17 -35.164 2.355 -9.993 1.00 1.88 H new ATOM 0 HA LYS A 17 -33.179 0.264 -10.495 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.192 1.920 -11.957 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -33.910 1.803 -12.281 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -34.363 3.882 -11.110 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -32.739 3.942 -10.454 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -33.142 3.869 -13.459 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -33.349 5.379 -12.595 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -31.101 5.623 -12.206 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -30.872 3.922 -11.850 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -29.818 3.934 -13.816 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -31.376 3.828 -14.483 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -30.602 5.335 -14.370 1.00 3.75 H new ATOM 297 N ALA A 18 -31.084 1.656 -9.472 1.00 1.43 N ATOM 298 CA ALA A 18 -30.028 2.020 -8.524 1.00 1.61 C ATOM 299 C ALA A 18 -29.271 3.265 -8.999 1.00 1.86 C ATOM 300 O ALA A 18 -29.099 3.483 -10.202 1.00 2.10 O ATOM 301 CB ALA A 18 -29.075 0.834 -8.357 1.00 1.58 C ATOM 0 H ALA A 18 -30.739 1.330 -10.375 1.00 1.43 H new ATOM 0 HA ALA A 18 -30.478 2.260 -7.560 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -28.286 1.098 -7.653 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -29.627 -0.026 -7.978 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -28.632 0.585 -9.321 1.00 1.58 H new ATOM 307 N SER A 19 -28.827 4.081 -8.042 1.00 2.24 N ATOM 308 CA SER A 19 -28.084 5.317 -8.327 1.00 2.71 C ATOM 309 C SER A 19 -27.289 5.771 -7.091 1.00 2.85 C ATOM 310 O SER A 19 -27.127 6.969 -6.856 1.00 3.33 O ATOM 311 CB SER A 19 -29.050 6.432 -8.765 1.00 3.28 C ATOM 312 OG SER A 19 -29.718 6.084 -9.975 1.00 3.62 O ATOM 0 H SER A 19 -28.970 3.907 -7.047 1.00 2.24 H new ATOM 0 HA SER A 19 -27.384 5.114 -9.137 1.00 2.71 H new ATOM 0 HB2 SER A 19 -29.784 6.612 -7.979 1.00 3.28 H new ATOM 0 HB3 SER A 19 -28.498 7.362 -8.905 1.00 3.28 H new ATOM 0 HG SER A 19 -29.283 5.303 -10.376 1.00 3.62 H new ATOM 318 N SER A 20 -26.788 4.810 -6.311 1.00 2.92 N ATOM 319 CA SER A 20 -25.999 5.097 -5.102 1.00 3.46 C ATOM 320 C SER A 20 -24.511 4.852 -5.369 1.00 3.36 C ATOM 321 O SER A 20 -23.668 5.691 -5.053 1.00 3.74 O ATOM 322 CB SER A 20 -26.485 4.225 -3.936 1.00 4.13 C ATOM 323 OG SER A 20 -27.891 4.372 -3.751 1.00 4.31 O ATOM 0 H SER A 20 -26.915 3.815 -6.495 1.00 2.92 H new ATOM 0 HA SER A 20 -26.134 6.145 -4.834 1.00 3.46 H new ATOM 0 HB2 SER A 20 -26.246 3.180 -4.132 1.00 4.13 H new ATOM 0 HB3 SER A 20 -25.961 4.506 -3.022 1.00 4.13 H new ATOM 0 HG SER A 20 -28.184 3.808 -3.005 1.00 4.31 H new ATOM 329 N ARG A 21 -24.202 3.704 -5.974 1.00 3.28 N ATOM 330 CA ARG A 21 -22.829 3.339 -6.313 1.00 3.37 C ATOM 331 C ARG A 21 -22.444 4.011 -7.632 1.00 2.30 C ATOM 332 O ARG A 21 -22.779 3.525 -8.718 1.00 2.78 O ATOM 333 CB ARG A 21 -22.693 1.808 -6.414 1.00 4.44 C ATOM 334 CG ARG A 21 -21.327 1.317 -5.907 1.00 5.18 C ATOM 335 CD ARG A 21 -21.454 0.542 -4.592 1.00 5.89 C ATOM 336 NE ARG A 21 -21.995 1.403 -3.534 1.00 6.25 N ATOM 337 CZ ARG A 21 -22.594 0.916 -2.448 1.00 6.92 C ATOM 338 NH1 ARG A 21 -23.648 0.116 -2.566 1.00 7.43 N ATOM 339 NH2 ARG A 21 -22.111 1.198 -1.249 1.00 7.30 N ATOM 0 H ARG A 21 -24.895 3.005 -6.241 1.00 3.28 H new ATOM 0 HA ARG A 21 -22.153 3.682 -5.530 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -23.486 1.335 -5.835 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -22.827 1.500 -7.451 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.867 0.679 -6.662 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -20.664 2.170 -5.764 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -22.105 -0.321 -4.734 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -20.478 0.160 -4.293 1.00 5.89 H new ATOM 0 HE ARG A 21 -21.909 2.414 -3.634 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -24.002 -0.128 -3.491 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -24.103 -0.254 -1.732 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -21.283 1.786 -1.158 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -22.567 0.827 -0.415 1.00 7.30 H new ATOM 353 N SER A 22 -21.761 5.146 -7.515 1.00 1.32 N ATOM 354 CA SER A 22 -21.324 5.939 -8.670 1.00 0.74 C ATOM 355 C SER A 22 -20.199 5.231 -9.437 1.00 0.68 C ATOM 356 O SER A 22 -19.630 4.240 -8.963 1.00 1.69 O ATOM 357 CB SER A 22 -20.852 7.320 -8.192 1.00 1.62 C ATOM 358 OG SER A 22 -21.842 7.932 -7.371 1.00 1.86 O ATOM 0 H SER A 22 -21.492 5.547 -6.616 1.00 1.32 H new ATOM 0 HA SER A 22 -22.168 6.055 -9.350 1.00 0.74 H new ATOM 0 HB2 SER A 22 -19.921 7.219 -7.634 1.00 1.62 H new ATOM 0 HB3 SER A 22 -20.641 7.956 -9.052 1.00 1.62 H new ATOM 0 HG SER A 22 -21.524 8.810 -7.074 1.00 1.86 H new ATOM 364 N TRP A 23 -19.892 5.755 -10.628 1.00 0.69 N ATOM 365 CA TRP A 23 -18.844 5.199 -11.498 1.00 0.41 C ATOM 366 C TRP A 23 -17.486 5.193 -10.779 1.00 0.40 C ATOM 367 O TRP A 23 -16.882 6.249 -10.563 1.00 0.55 O ATOM 368 CB TRP A 23 -18.755 6.018 -12.805 1.00 0.43 C ATOM 369 CG TRP A 23 -19.779 5.615 -13.831 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.840 6.355 -14.270 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.835 4.365 -14.547 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.525 5.629 -15.206 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.947 4.411 -15.395 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.055 3.213 -14.542 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.282 3.352 -16.228 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.381 2.153 -15.368 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.487 2.217 -16.203 1.00 0.31 C ATOM 0 H TRP A 23 -20.360 6.574 -11.017 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.105 4.169 -11.741 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.881 7.075 -12.572 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.759 5.902 -13.231 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.096 7.349 -13.934 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.357 5.957 -15.696 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.195 3.147 -13.893 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.141 3.411 -16.880 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.767 1.264 -15.363 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.730 1.377 -16.837 1.00 0.31 H new ATOM 388 N HIS A 24 -17.025 4.000 -10.394 1.00 0.37 N ATOM 389 CA HIS A 24 -15.754 3.832 -9.688 1.00 0.45 C ATOM 390 C HIS A 24 -14.880 2.815 -10.424 1.00 0.36 C ATOM 391 O HIS A 24 -15.370 1.778 -10.886 1.00 0.34 O ATOM 392 CB HIS A 24 -16.018 3.361 -8.247 1.00 0.61 C ATOM 393 CG HIS A 24 -14.806 3.429 -7.368 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.531 4.482 -6.534 1.00 2.08 N ATOM 395 CD2 HIS A 24 -13.775 2.568 -7.198 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.406 4.290 -5.888 1.00 2.98 C ATOM 397 NE2 HIS A 24 -12.909 3.121 -6.271 1.00 2.74 N ATOM 0 H HIS A 24 -17.522 3.125 -10.563 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.231 4.788 -9.658 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -16.808 3.972 -7.812 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.385 2.335 -8.269 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -13.651 1.618 -7.697 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -12.962 4.965 -5.171 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -12.040 2.703 -5.940 1.00 2.74 H new ATOM 405 N ASN A 25 -13.583 3.111 -10.512 1.00 0.37 N ATOM 406 CA ASN A 25 -12.613 2.232 -11.175 1.00 0.35 C ATOM 407 C ASN A 25 -12.192 1.121 -10.208 1.00 0.34 C ATOM 408 O ASN A 25 -11.203 1.255 -9.481 1.00 0.55 O ATOM 409 CB ASN A 25 -11.395 3.060 -11.632 1.00 0.44 C ATOM 410 CG ASN A 25 -10.586 2.325 -12.704 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.103 1.460 -13.411 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.315 2.679 -12.834 1.00 1.49 N ATOM 0 H ASN A 25 -13.174 3.963 -10.128 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.064 1.773 -12.055 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.733 4.020 -12.024 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.756 3.273 -10.775 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.730 2.230 -13.539 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -8.922 3.400 -12.229 1.00 1.49 H new ATOM 419 N VAL A 26 -12.968 0.037 -10.191 1.00 0.22 N ATOM 420 CA VAL A 26 -12.717 -1.107 -9.310 1.00 0.21 C ATOM 421 C VAL A 26 -12.013 -2.233 -10.079 1.00 0.18 C ATOM 422 O VAL A 26 -12.196 -2.391 -11.289 1.00 0.23 O ATOM 423 CB VAL A 26 -14.047 -1.594 -8.698 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.970 -2.212 -9.752 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.801 -2.580 -7.556 1.00 0.31 C ATOM 0 H VAL A 26 -13.788 -0.074 -10.787 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.057 -0.798 -8.499 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.550 -0.716 -8.293 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.895 -2.541 -9.278 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.199 -1.469 -10.516 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.475 -3.066 -10.213 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.756 -2.906 -7.144 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.255 -3.445 -7.933 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.216 -2.094 -6.775 1.00 0.31 H new ATOM 435 N TYR A 27 -11.206 -3.010 -9.366 1.00 0.16 N ATOM 436 CA TYR A 27 -10.459 -4.127 -9.954 1.00 0.16 C ATOM 437 C TYR A 27 -11.287 -5.409 -9.848 1.00 0.19 C ATOM 438 O TYR A 27 -11.612 -5.858 -8.748 1.00 0.34 O ATOM 439 CB TYR A 27 -9.119 -4.271 -9.223 1.00 0.17 C ATOM 440 CG TYR A 27 -8.075 -5.029 -10.007 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.040 -6.412 -9.953 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.166 -4.348 -10.797 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.095 -7.112 -10.683 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.223 -5.049 -11.530 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.135 -6.409 -11.416 1.00 0.29 C ATOM 446 OH TYR A 27 -5.258 -7.120 -12.211 1.00 0.37 O ATOM 0 H TYR A 27 -11.048 -2.888 -8.366 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.262 -3.937 -11.009 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.735 -3.278 -8.990 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.287 -4.779 -8.273 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.751 -6.946 -9.340 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.192 -3.269 -10.842 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.100 -8.192 -10.686 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.555 -4.520 -12.194 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.648 -6.499 -12.662 1.00 0.37 H new ATOM 456 N CYS A 28 -11.642 -5.986 -10.995 1.00 0.16 N ATOM 457 CA CYS A 28 -12.454 -7.206 -11.041 1.00 0.19 C ATOM 458 C CYS A 28 -11.592 -8.425 -11.387 1.00 0.19 C ATOM 459 O CYS A 28 -10.752 -8.368 -12.288 1.00 0.23 O ATOM 460 CB CYS A 28 -13.568 -7.038 -12.080 1.00 0.23 C ATOM 461 SG CYS A 28 -14.593 -5.589 -11.760 1.00 0.34 S ATOM 0 H CYS A 28 -11.379 -5.627 -11.913 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.893 -7.371 -10.057 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.126 -6.955 -13.073 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.195 -7.930 -12.084 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.684 -5.666 -12.462 1.00 0.34 H new ATOM 467 N VAL A 29 -11.819 -9.522 -10.665 1.00 0.21 N ATOM 468 CA VAL A 29 -11.095 -10.780 -10.873 1.00 0.24 C ATOM 469 C VAL A 29 -12.107 -11.919 -10.981 1.00 0.26 C ATOM 470 O VAL A 29 -12.889 -12.142 -10.056 1.00 0.38 O ATOM 471 CB VAL A 29 -10.130 -11.039 -9.703 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.422 -12.388 -9.862 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.107 -9.907 -9.587 1.00 0.33 C ATOM 0 H VAL A 29 -12.511 -9.565 -9.917 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.511 -10.718 -11.791 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.716 -11.071 -8.785 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.746 -12.545 -9.022 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.163 -13.187 -9.886 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.852 -12.393 -10.791 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.434 -10.109 -8.754 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.532 -9.840 -10.510 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.626 -8.964 -9.414 1.00 0.33 H new ATOM 483 N ILE A 30 -12.097 -12.630 -12.111 1.00 0.28 N ATOM 484 CA ILE A 30 -13.019 -13.747 -12.344 1.00 0.32 C ATOM 485 C ILE A 30 -12.358 -15.071 -11.935 1.00 0.35 C ATOM 486 O ILE A 30 -11.191 -15.318 -12.252 1.00 0.44 O ATOM 487 CB ILE A 30 -13.436 -13.800 -13.824 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.881 -12.415 -14.319 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.559 -14.821 -14.037 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.364 -12.458 -15.768 1.00 0.57 C ATOM 0 H ILE A 30 -11.456 -12.451 -12.884 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.911 -13.594 -11.736 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.567 -14.112 -14.403 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.681 -12.041 -13.680 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.050 -11.714 -14.233 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.837 -14.841 -15.091 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.214 -15.810 -13.734 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.425 -14.539 -13.438 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.670 -11.459 -16.079 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.556 -12.807 -16.411 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.212 -13.138 -15.849 1.00 0.57 H new ATOM 502 N ASN A 31 -13.119 -15.914 -11.239 1.00 0.46 N ATOM 503 CA ASN A 31 -12.645 -17.223 -10.778 1.00 0.58 C ATOM 504 C ASN A 31 -13.741 -18.268 -11.003 1.00 0.71 C ATOM 505 O ASN A 31 -14.381 -18.733 -10.053 1.00 1.20 O ATOM 506 CB ASN A 31 -12.264 -17.144 -9.286 1.00 0.73 C ATOM 507 CG ASN A 31 -11.470 -18.382 -8.860 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.398 -18.657 -9.399 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.988 -19.131 -7.898 1.00 1.47 N ATOM 0 H ASN A 31 -14.084 -15.711 -10.977 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.760 -17.515 -11.344 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.672 -16.247 -9.104 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.166 -17.059 -8.680 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.496 -19.966 -7.581 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.879 -18.872 -7.474 1.00 1.47 H new ATOM 516 N ASN A 32 -13.956 -18.619 -12.270 1.00 0.85 N ATOM 517 CA ASN A 32 -14.972 -19.599 -12.676 1.00 1.00 C ATOM 518 C ASN A 32 -16.374 -18.969 -12.600 1.00 1.00 C ATOM 519 O ASN A 32 -16.597 -17.891 -13.157 1.00 1.97 O ATOM 520 CB ASN A 32 -14.861 -20.886 -11.826 1.00 1.24 C ATOM 521 CG ASN A 32 -15.403 -22.093 -12.595 1.00 1.73 C ATOM 522 OD1 ASN A 32 -16.469 -22.617 -12.273 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.666 -22.536 -13.599 1.00 2.52 N ATOM 0 H ASN A 32 -13.428 -18.231 -13.052 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.797 -19.888 -13.712 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.820 -21.060 -11.555 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.416 -20.762 -10.896 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.975 -23.343 -14.141 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.788 -22.071 -13.831 1.00 2.52 H new ATOM 530 N GLN A 33 -17.313 -19.621 -11.908 1.00 0.75 N ATOM 531 CA GLN A 33 -18.687 -19.102 -11.770 1.00 0.67 C ATOM 532 C GLN A 33 -18.774 -18.087 -10.618 1.00 0.56 C ATOM 533 O GLN A 33 -19.807 -18.018 -9.914 1.00 0.71 O ATOM 534 CB GLN A 33 -19.665 -20.260 -11.515 1.00 0.83 C ATOM 535 CG GLN A 33 -19.655 -21.282 -12.664 1.00 1.46 C ATOM 536 CD GLN A 33 -20.731 -20.954 -13.702 1.00 1.85 C ATOM 537 OE1 GLN A 33 -21.928 -21.027 -13.415 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.311 -20.598 -14.905 1.00 2.67 N ATOM 0 H GLN A 33 -17.152 -20.509 -11.433 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.957 -18.599 -12.699 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.401 -20.759 -10.583 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.673 -19.864 -11.390 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.675 -21.288 -13.141 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.822 -22.283 -12.266 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.311 -20.550 -15.103 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.987 -20.372 -15.635 1.00 2.67 H new ATOM 547 N GLU A 34 -17.696 -17.299 -10.431 1.00 0.53 N ATOM 548 CA GLU A 34 -17.635 -16.293 -9.377 1.00 0.49 C ATOM 549 C GLU A 34 -16.631 -15.203 -9.742 1.00 0.45 C ATOM 550 O GLU A 34 -15.675 -15.444 -10.481 1.00 0.64 O ATOM 551 CB GLU A 34 -17.227 -16.950 -8.052 1.00 0.61 C ATOM 552 CG GLU A 34 -17.489 -16.021 -6.867 1.00 1.25 C ATOM 553 CD GLU A 34 -16.987 -16.640 -5.573 1.00 1.42 C ATOM 554 OE1 GLU A 34 -15.757 -16.753 -5.398 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.822 -17.003 -4.723 1.00 1.79 O ATOM 0 H GLU A 34 -16.855 -17.349 -11.006 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.621 -15.841 -9.267 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.782 -17.879 -7.918 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.170 -17.212 -8.084 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.994 -15.064 -7.033 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.557 -15.818 -6.788 1.00 1.25 H new ATOM 562 N MET A 35 -16.847 -14.014 -9.196 1.00 0.36 N ATOM 563 CA MET A 35 -15.972 -12.866 -9.412 1.00 0.35 C ATOM 564 C MET A 35 -15.849 -12.091 -8.102 1.00 0.32 C ATOM 565 O MET A 35 -16.773 -12.094 -7.278 1.00 0.42 O ATOM 566 CB MET A 35 -16.519 -11.966 -10.532 1.00 0.41 C ATOM 567 CG MET A 35 -17.946 -11.491 -10.253 1.00 0.43 C ATOM 568 SD MET A 35 -18.595 -10.456 -11.577 1.00 0.60 S ATOM 569 CE MET A 35 -18.872 -8.907 -10.703 1.00 1.25 C ATOM 0 H MET A 35 -17.640 -13.816 -8.586 1.00 0.36 H new ATOM 0 HA MET A 35 -14.986 -13.211 -9.724 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.867 -11.100 -10.650 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.498 -12.511 -11.476 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.595 -12.357 -10.121 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.964 -10.933 -9.317 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.552 -8.280 -11.280 1.00 1.25 H new ATOM 0 HE2 MET A 35 -19.309 -9.114 -9.726 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.922 -8.388 -10.573 1.00 1.25 H new ATOM 579 N GLY A 36 -14.709 -11.444 -7.903 1.00 0.27 N ATOM 580 CA GLY A 36 -14.451 -10.676 -6.684 1.00 0.29 C ATOM 581 C GLY A 36 -14.029 -9.247 -7.014 1.00 0.25 C ATOM 582 O GLY A 36 -13.284 -9.014 -7.973 1.00 0.28 O ATOM 0 H GLY A 36 -13.940 -11.434 -8.573 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.347 -10.660 -6.064 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.669 -11.164 -6.102 1.00 0.29 H new ATOM 586 N PHE A 37 -14.501 -8.299 -6.205 1.00 0.24 N ATOM 587 CA PHE A 37 -14.181 -6.878 -6.376 1.00 0.25 C ATOM 588 C PHE A 37 -13.010 -6.498 -5.464 1.00 0.25 C ATOM 589 O PHE A 37 -13.142 -6.504 -4.236 1.00 0.40 O ATOM 590 CB PHE A 37 -15.403 -6.015 -6.029 1.00 0.30 C ATOM 591 CG PHE A 37 -16.527 -6.118 -7.040 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.461 -5.397 -8.224 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.633 -6.918 -6.784 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.494 -5.476 -9.143 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.660 -6.997 -7.705 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.593 -6.275 -8.884 1.00 0.33 C ATOM 0 H PHE A 37 -15.115 -8.492 -5.414 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.904 -6.702 -7.415 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.779 -6.310 -5.049 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.091 -4.974 -5.950 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.603 -4.774 -8.429 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.690 -7.479 -5.863 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.441 -4.913 -10.063 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.517 -7.623 -7.505 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.398 -6.335 -9.601 1.00 0.33 H new ATOM 606 N TYR A 38 -11.874 -6.159 -6.065 1.00 0.20 N ATOM 607 CA TYR A 38 -10.672 -5.762 -5.321 1.00 0.21 C ATOM 608 C TYR A 38 -10.367 -4.283 -5.574 1.00 0.21 C ATOM 609 O TYR A 38 -11.044 -3.625 -6.368 1.00 0.23 O ATOM 610 CB TYR A 38 -9.476 -6.626 -5.748 1.00 0.23 C ATOM 611 CG TYR A 38 -9.638 -8.091 -5.410 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.382 -8.917 -6.235 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.027 -8.615 -4.282 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.516 -10.260 -5.932 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.158 -9.958 -3.984 1.00 0.50 C ATOM 616 CZ TYR A 38 -9.903 -10.774 -4.809 1.00 0.44 C ATOM 617 OH TYR A 38 -10.024 -12.113 -4.517 1.00 0.55 O ATOM 0 H TYR A 38 -11.755 -6.150 -7.078 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.850 -5.911 -4.256 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.330 -6.524 -6.823 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.574 -6.248 -5.266 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.858 -8.513 -7.116 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -8.448 -7.973 -3.635 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -11.099 -10.904 -6.573 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -8.678 -10.367 -3.107 1.00 0.50 H new ATOM 0 HH TYR A 38 -9.532 -12.314 -3.694 1.00 0.55 H new ATOM 627 N LYS A 39 -9.345 -3.757 -4.897 1.00 0.25 N ATOM 628 CA LYS A 39 -8.962 -2.350 -5.055 1.00 0.29 C ATOM 629 C LYS A 39 -8.089 -2.163 -6.304 1.00 0.28 C ATOM 630 O LYS A 39 -8.344 -1.278 -7.118 1.00 0.33 O ATOM 631 CB LYS A 39 -8.228 -1.849 -3.798 1.00 0.36 C ATOM 632 CG LYS A 39 -8.502 -0.361 -3.542 1.00 0.70 C ATOM 633 CD LYS A 39 -8.902 -0.100 -2.087 1.00 1.15 C ATOM 634 CE LYS A 39 -7.678 -0.070 -1.172 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.071 -0.099 0.263 1.00 2.51 N ATOM 0 H LYS A 39 -8.769 -4.280 -4.237 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.868 -1.758 -5.183 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.545 -2.432 -2.934 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.156 -2.008 -3.914 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.612 0.220 -3.784 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.297 -0.018 -4.205 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.434 0.849 -2.018 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.590 -0.876 -1.752 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.036 -0.923 -1.392 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.094 0.828 -1.373 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -7.218 -0.078 0.857 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -8.663 0.729 0.478 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.607 -0.968 0.459 1.00 2.51 H new ATOM 649 N ASP A 40 -7.061 -3.004 -6.445 1.00 0.28 N ATOM 650 CA ASP A 40 -6.141 -2.947 -7.592 1.00 0.32 C ATOM 651 C ASP A 40 -5.460 -4.305 -7.813 1.00 0.33 C ATOM 652 O ASP A 40 -5.850 -5.316 -7.213 1.00 0.32 O ATOM 653 CB ASP A 40 -5.091 -1.828 -7.392 1.00 0.38 C ATOM 654 CG ASP A 40 -3.982 -2.234 -6.415 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.299 -2.628 -5.270 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.800 -2.168 -6.795 1.00 0.94 O ATOM 0 H ASP A 40 -6.841 -3.740 -5.774 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.721 -2.713 -8.485 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.648 -1.573 -8.355 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.587 -0.931 -7.022 1.00 0.38 H new ATOM 661 N ALA A 41 -4.434 -4.313 -8.674 1.00 0.40 N ATOM 662 CA ALA A 41 -3.669 -5.527 -8.996 1.00 0.45 C ATOM 663 C ALA A 41 -2.946 -6.069 -7.759 1.00 0.45 C ATOM 664 O ALA A 41 -2.936 -7.280 -7.521 1.00 0.47 O ATOM 665 CB ALA A 41 -2.657 -5.229 -10.105 1.00 0.55 C ATOM 0 H ALA A 41 -4.111 -3.480 -9.167 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.369 -6.288 -9.341 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.095 -6.133 -10.337 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.184 -4.890 -10.997 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.971 -4.451 -9.772 1.00 0.55 H new ATOM 671 N LYS A 42 -2.362 -5.167 -6.959 1.00 0.46 N ATOM 672 CA LYS A 42 -1.656 -5.554 -5.729 1.00 0.48 C ATOM 673 C LYS A 42 -2.644 -6.158 -4.723 1.00 0.43 C ATOM 674 O LYS A 42 -2.366 -7.189 -4.112 1.00 0.47 O ATOM 675 CB LYS A 42 -0.944 -4.341 -5.113 1.00 0.54 C ATOM 676 CG LYS A 42 0.150 -3.805 -6.043 1.00 0.77 C ATOM 677 CD LYS A 42 1.131 -2.897 -5.296 1.00 1.12 C ATOM 678 CE LYS A 42 1.912 -2.011 -6.272 1.00 1.96 C ATOM 679 NZ LYS A 42 2.978 -1.227 -5.582 1.00 2.76 N ATOM 0 H LYS A 42 -2.364 -4.163 -7.141 1.00 0.46 H new ATOM 0 HA LYS A 42 -0.905 -6.303 -5.979 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.671 -3.554 -4.912 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.505 -4.622 -4.156 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.692 -4.640 -6.487 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.308 -3.251 -6.862 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.587 -2.272 -4.588 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.825 -3.505 -4.716 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.362 -2.633 -7.046 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.225 -1.328 -6.771 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.483 -0.641 -6.277 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 2.547 -0.614 -4.861 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 3.649 -1.879 -5.127 1.00 2.76 H new ATOM 693 N SER A 43 -3.810 -5.519 -4.581 1.00 0.38 N ATOM 694 CA SER A 43 -4.863 -5.995 -3.673 1.00 0.38 C ATOM 695 C SER A 43 -5.380 -7.374 -4.108 1.00 0.39 C ATOM 696 O SER A 43 -5.642 -8.238 -3.273 1.00 0.45 O ATOM 697 CB SER A 43 -6.017 -4.992 -3.637 1.00 0.37 C ATOM 698 OG SER A 43 -5.544 -3.699 -3.286 1.00 1.04 O ATOM 0 H SER A 43 -4.051 -4.666 -5.086 1.00 0.38 H new ATOM 0 HA SER A 43 -4.437 -6.088 -2.674 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.504 -4.955 -4.611 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.768 -5.319 -2.917 1.00 0.37 H new ATOM 0 HG SER A 43 -4.978 -3.351 -4.006 1.00 1.04 H new ATOM 704 N ALA A 44 -5.509 -7.574 -5.422 1.00 0.37 N ATOM 705 CA ALA A 44 -5.982 -8.844 -5.989 1.00 0.43 C ATOM 706 C ALA A 44 -4.949 -9.960 -5.787 1.00 0.51 C ATOM 707 O ALA A 44 -5.312 -11.095 -5.472 1.00 0.59 O ATOM 708 CB ALA A 44 -6.279 -8.673 -7.481 1.00 0.43 C ATOM 0 H ALA A 44 -5.290 -6.865 -6.122 1.00 0.37 H new ATOM 0 HA ALA A 44 -6.896 -9.128 -5.468 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.629 -9.619 -7.893 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.048 -7.913 -7.614 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.371 -8.365 -8.000 1.00 0.43 H new ATOM 714 N ALA A 45 -3.669 -9.629 -5.977 1.00 0.54 N ATOM 715 CA ALA A 45 -2.574 -10.594 -5.822 1.00 0.64 C ATOM 716 C ALA A 45 -2.370 -10.974 -4.348 1.00 0.68 C ATOM 717 O ALA A 45 -2.227 -12.154 -4.014 1.00 0.76 O ATOM 718 CB ALA A 45 -1.284 -10.002 -6.396 1.00 0.69 C ATOM 0 H ALA A 45 -3.363 -8.692 -6.241 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.835 -11.501 -6.367 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.472 -10.719 -6.280 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.425 -9.780 -7.454 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.036 -9.084 -5.863 1.00 0.69 H new ATOM 724 N SER A 46 -2.348 -9.972 -3.468 1.00 0.65 N ATOM 725 CA SER A 46 -2.157 -10.197 -2.030 1.00 0.73 C ATOM 726 C SER A 46 -3.400 -10.836 -1.388 1.00 0.74 C ATOM 727 O SER A 46 -3.278 -11.650 -0.472 1.00 0.84 O ATOM 728 CB SER A 46 -1.829 -8.869 -1.346 1.00 0.75 C ATOM 729 OG SER A 46 -0.643 -8.308 -1.899 1.00 1.21 O ATOM 0 H SER A 46 -2.460 -8.991 -3.725 1.00 0.65 H new ATOM 0 HA SER A 46 -1.327 -10.892 -1.898 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.660 -8.174 -1.469 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.700 -9.026 -0.275 1.00 0.75 H new ATOM 0 HG SER A 46 -0.864 -7.822 -2.721 1.00 1.21 H new ATOM 735 N GLY A 47 -4.588 -10.472 -1.879 1.00 0.70 N ATOM 736 CA GLY A 47 -5.856 -11.011 -1.367 1.00 0.74 C ATOM 737 C GLY A 47 -6.524 -10.037 -0.394 1.00 0.75 C ATOM 738 O GLY A 47 -7.038 -10.444 0.649 1.00 0.88 O ATOM 0 H GLY A 47 -4.700 -9.800 -2.638 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.529 -11.215 -2.200 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -5.673 -11.961 -0.865 1.00 0.74 H new ATOM 742 N ILE A 48 -6.524 -8.752 -0.753 1.00 0.67 N ATOM 743 CA ILE A 48 -7.137 -7.698 0.058 1.00 0.72 C ATOM 744 C ILE A 48 -8.466 -7.296 -0.585 1.00 0.75 C ATOM 745 O ILE A 48 -8.483 -6.681 -1.656 1.00 0.75 O ATOM 746 CB ILE A 48 -6.199 -6.480 0.162 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.728 -6.922 0.267 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.587 -5.617 1.366 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.793 -5.726 0.413 1.00 0.97 C ATOM 0 H ILE A 48 -6.098 -8.412 -1.615 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.314 -8.069 1.067 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.307 -5.887 -0.746 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.607 -7.586 1.123 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.454 -7.493 -0.620 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -5.917 -4.759 1.430 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.613 -5.269 1.248 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.507 -6.208 2.278 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.763 -6.076 0.484 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.896 -5.076 -0.456 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.051 -5.171 1.315 1.00 0.97 H new ATOM 761 N PRO A 49 -9.602 -7.651 0.049 1.00 0.84 N ATOM 762 CA PRO A 49 -10.941 -7.337 -0.487 1.00 0.93 C ATOM 763 C PRO A 49 -11.292 -5.848 -0.408 1.00 0.93 C ATOM 764 O PRO A 49 -10.743 -5.101 0.409 1.00 1.08 O ATOM 765 CB PRO A 49 -11.887 -8.175 0.371 1.00 1.07 C ATOM 766 CG PRO A 49 -11.158 -8.402 1.654 1.00 1.06 C ATOM 767 CD PRO A 49 -9.684 -8.392 1.325 1.00 0.92 C ATOM 0 HA PRO A 49 -11.005 -7.567 -1.551 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.829 -7.654 0.541 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.128 -9.119 -0.117 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.398 -7.623 2.378 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.448 -9.353 2.101 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.105 -7.902 2.108 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.292 -9.404 1.224 1.00 0.92 H new ATOM 775 N TYR A 50 -12.219 -5.435 -1.269 1.00 0.87 N ATOM 776 CA TYR A 50 -12.690 -4.050 -1.342 1.00 0.91 C ATOM 777 C TYR A 50 -13.788 -3.833 -0.283 1.00 1.12 C ATOM 778 O TYR A 50 -13.551 -4.053 0.910 1.00 1.91 O ATOM 779 CB TYR A 50 -13.194 -3.793 -2.777 1.00 0.92 C ATOM 780 CG TYR A 50 -13.408 -2.337 -3.127 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.345 -1.447 -3.077 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.666 -1.885 -3.482 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.543 -0.115 -3.384 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.861 -0.548 -3.788 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.801 0.317 -3.791 1.00 1.17 C ATOM 786 OH TYR A 50 -13.984 1.656 -4.059 1.00 1.34 O ATOM 0 H TYR A 50 -12.669 -6.055 -1.942 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.891 -3.340 -1.127 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.478 -4.219 -3.480 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -14.134 -4.327 -2.917 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.362 -1.796 -2.798 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.496 -2.574 -3.521 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.726 0.587 -3.308 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.851 -0.188 -4.025 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.392 1.927 -4.791 1.00 1.34 H new ATOM 796 N HIS A 51 -14.986 -3.432 -0.706 1.00 1.28 N ATOM 797 CA HIS A 51 -16.115 -3.222 0.217 1.00 1.53 C ATOM 798 C HIS A 51 -17.438 -3.164 -0.556 1.00 1.61 C ATOM 799 O HIS A 51 -17.440 -3.001 -1.778 1.00 2.07 O ATOM 800 CB HIS A 51 -15.937 -1.954 1.074 1.00 2.01 C ATOM 801 CG HIS A 51 -15.882 -0.681 0.290 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.845 0.288 0.357 1.00 3.19 N ATOM 803 CD2 HIS A 51 -14.971 -0.217 -0.585 1.00 2.89 C ATOM 804 CE1 HIS A 51 -16.554 1.293 -0.430 1.00 3.87 C ATOM 805 NE2 HIS A 51 -15.403 1.019 -1.027 1.00 3.74 N ATOM 0 H HIS A 51 -15.206 -3.244 -1.684 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.138 -4.073 0.898 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.760 -1.893 1.786 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -15.020 -2.049 1.655 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.065 -0.720 -0.888 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.146 2.186 -0.568 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -14.919 1.617 -1.697 1.00 3.74 H new ATOM 813 N SER A 52 -18.555 -3.296 0.170 1.00 1.60 N ATOM 814 CA SER A 52 -19.905 -3.266 -0.419 1.00 1.96 C ATOM 815 C SER A 52 -20.097 -4.443 -1.386 1.00 1.85 C ATOM 816 O SER A 52 -20.059 -4.271 -2.606 1.00 2.45 O ATOM 817 CB SER A 52 -20.168 -1.928 -1.138 1.00 2.44 C ATOM 818 OG SER A 52 -19.627 -0.832 -0.404 1.00 2.65 O ATOM 0 H SER A 52 -18.551 -3.427 1.182 1.00 1.60 H new ATOM 0 HA SER A 52 -20.628 -3.360 0.392 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.727 -1.955 -2.134 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.241 -1.787 -1.268 1.00 2.44 H new ATOM 0 HG SER A 52 -18.654 -0.810 -0.518 1.00 2.65 H new ATOM 824 N GLU A 53 -20.310 -5.636 -0.821 1.00 1.45 N ATOM 825 CA GLU A 53 -20.517 -6.866 -1.592 1.00 1.37 C ATOM 826 C GLU A 53 -19.302 -7.177 -2.481 1.00 1.08 C ATOM 827 O GLU A 53 -19.311 -6.935 -3.692 1.00 1.24 O ATOM 828 CB GLU A 53 -21.807 -6.734 -2.408 1.00 1.73 C ATOM 829 CG GLU A 53 -22.512 -8.084 -2.574 1.00 2.39 C ATOM 830 CD GLU A 53 -23.080 -8.567 -1.244 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.897 -7.840 -0.643 1.00 3.23 O ATOM 832 OE2 GLU A 53 -22.717 -9.674 -0.801 1.00 3.46 O ATOM 0 H GLU A 53 -20.344 -5.776 0.189 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.621 -7.709 -0.909 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -22.479 -6.031 -1.916 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.576 -6.321 -3.390 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -23.315 -7.992 -3.305 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.809 -8.821 -2.963 1.00 2.39 H new ATOM 839 N VAL A 54 -18.253 -7.706 -1.856 1.00 0.84 N ATOM 840 CA VAL A 54 -17.011 -8.046 -2.555 1.00 0.66 C ATOM 841 C VAL A 54 -17.147 -9.349 -3.368 1.00 0.55 C ATOM 842 O VAL A 54 -16.690 -9.401 -4.511 1.00 0.49 O ATOM 843 CB VAL A 54 -15.850 -8.142 -1.548 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.526 -8.457 -2.253 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.733 -6.842 -0.753 1.00 1.34 C ATOM 0 H VAL A 54 -18.237 -7.911 -0.857 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.796 -7.249 -3.267 1.00 0.66 H new ATOM 0 HB VAL A 54 -16.066 -8.960 -0.861 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.726 -8.518 -1.515 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.610 -9.409 -2.777 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.299 -7.668 -2.970 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.909 -6.922 -0.044 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.545 -6.013 -1.436 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.661 -6.662 -0.211 1.00 1.34 H new ATOM 855 N PRO A 55 -17.758 -10.426 -2.807 1.00 0.62 N ATOM 856 CA PRO A 55 -17.917 -11.706 -3.515 1.00 0.59 C ATOM 857 C PRO A 55 -19.249 -11.788 -4.277 1.00 0.58 C ATOM 858 O PRO A 55 -20.322 -11.678 -3.675 1.00 0.83 O ATOM 859 CB PRO A 55 -17.876 -12.732 -2.380 1.00 0.76 C ATOM 860 CG PRO A 55 -18.327 -11.998 -1.142 1.00 0.87 C ATOM 861 CD PRO A 55 -18.334 -10.512 -1.452 1.00 0.83 C ATOM 0 HA PRO A 55 -17.151 -11.859 -4.275 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.531 -13.577 -2.593 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.870 -13.133 -2.252 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -19.322 -12.329 -0.844 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.657 -12.210 -0.308 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -19.344 -10.103 -1.421 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.741 -9.951 -0.730 1.00 0.83 H new ATOM 869 N VAL A 56 -19.182 -11.988 -5.595 1.00 0.41 N ATOM 870 CA VAL A 56 -20.377 -12.091 -6.437 1.00 0.43 C ATOM 871 C VAL A 56 -20.264 -13.320 -7.343 1.00 0.42 C ATOM 872 O VAL A 56 -19.242 -13.530 -7.994 1.00 0.43 O ATOM 873 CB VAL A 56 -20.541 -10.806 -7.273 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.567 -11.004 -8.392 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.957 -9.634 -6.379 1.00 0.63 C ATOM 0 H VAL A 56 -18.305 -12.083 -6.106 1.00 0.41 H new ATOM 0 HA VAL A 56 -21.259 -12.205 -5.807 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.577 -10.578 -7.729 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.662 -10.082 -8.965 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.237 -11.808 -9.050 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.533 -11.263 -7.958 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -21.068 -8.735 -6.986 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.906 -9.865 -5.895 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -20.193 -9.467 -5.619 1.00 0.63 H new ATOM 885 N SER A 57 -21.320 -14.130 -7.370 1.00 0.47 N ATOM 886 CA SER A 57 -21.373 -15.341 -8.172 1.00 0.48 C ATOM 887 C SER A 57 -21.837 -15.022 -9.600 1.00 0.46 C ATOM 888 O SER A 57 -22.728 -14.193 -9.797 1.00 0.59 O ATOM 889 CB SER A 57 -22.333 -16.332 -7.509 1.00 0.61 C ATOM 890 OG SER A 57 -22.463 -16.082 -6.107 1.00 0.91 O ATOM 0 H SER A 57 -22.168 -13.959 -6.830 1.00 0.47 H new ATOM 0 HA SER A 57 -20.377 -15.780 -8.233 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.312 -16.264 -7.984 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.973 -17.349 -7.666 1.00 0.61 H new ATOM 0 HG SER A 57 -23.084 -16.731 -5.715 1.00 0.91 H new ATOM 896 N LEU A 58 -21.247 -15.704 -10.583 1.00 0.44 N ATOM 897 CA LEU A 58 -21.609 -15.524 -11.998 1.00 0.49 C ATOM 898 C LEU A 58 -22.524 -16.669 -12.431 1.00 0.60 C ATOM 899 O LEU A 58 -22.246 -17.371 -13.403 1.00 0.89 O ATOM 900 CB LEU A 58 -20.351 -15.484 -12.885 1.00 0.67 C ATOM 901 CG LEU A 58 -19.653 -14.122 -12.823 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.306 -14.174 -13.552 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.533 -13.024 -13.421 1.00 0.60 C ATOM 0 H LEU A 58 -20.510 -16.392 -10.428 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.131 -14.574 -12.113 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.657 -16.262 -12.567 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.627 -15.704 -13.916 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.477 -13.885 -11.774 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.825 -13.197 -13.497 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.666 -14.921 -13.082 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.468 -14.441 -14.596 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.012 -12.068 -13.363 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.748 -13.258 -14.464 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.467 -12.962 -12.863 1.00 0.60 H new ATOM 915 N LYS A 59 -23.619 -16.847 -11.697 1.00 0.70 N ATOM 916 CA LYS A 59 -24.600 -17.897 -11.986 1.00 0.90 C ATOM 917 C LYS A 59 -25.750 -17.302 -12.801 1.00 0.87 C ATOM 918 O LYS A 59 -26.398 -16.351 -12.359 1.00 0.95 O ATOM 919 CB LYS A 59 -25.115 -18.516 -10.675 1.00 1.13 C ATOM 920 CG LYS A 59 -25.094 -20.041 -10.746 1.00 1.41 C ATOM 921 CD LYS A 59 -25.540 -20.669 -9.426 1.00 1.78 C ATOM 922 CE LYS A 59 -24.407 -20.676 -8.397 1.00 2.18 C ATOM 923 NZ LYS A 59 -24.764 -19.892 -7.180 1.00 2.83 N ATOM 0 H LYS A 59 -23.854 -16.272 -10.888 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.130 -18.689 -12.568 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.498 -18.178 -9.842 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.130 -18.171 -10.480 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.748 -20.378 -11.550 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.088 -20.381 -10.990 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.391 -20.116 -9.028 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.878 -21.690 -9.603 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.178 -21.704 -8.114 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.505 -20.261 -8.846 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -23.973 -19.919 -6.505 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.958 -18.906 -7.447 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.610 -20.304 -6.738 1.00 2.83 H new ATOM 937 N GLU A 60 -25.970 -17.848 -14.007 1.00 0.89 N ATOM 938 CA GLU A 60 -27.016 -17.363 -14.927 1.00 0.93 C ATOM 939 C GLU A 60 -26.741 -15.895 -15.295 1.00 0.71 C ATOM 940 O GLU A 60 -27.649 -15.060 -15.303 1.00 0.82 O ATOM 941 CB GLU A 60 -28.411 -17.506 -14.293 1.00 1.20 C ATOM 942 CG GLU A 60 -28.686 -18.936 -13.805 1.00 1.43 C ATOM 943 CD GLU A 60 -29.914 -18.954 -12.903 1.00 1.80 C ATOM 944 OE1 GLU A 60 -30.926 -18.317 -13.254 1.00 2.04 O ATOM 945 OE2 GLU A 60 -29.872 -19.614 -11.843 1.00 2.33 O ATOM 0 H GLU A 60 -25.432 -18.634 -14.372 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.995 -17.969 -15.833 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.499 -16.815 -13.454 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -29.170 -17.221 -15.022 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -28.842 -19.596 -14.658 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.821 -19.316 -13.262 1.00 1.43 H new ATOM 952 N ALA A 61 -25.468 -15.597 -15.572 1.00 0.51 N ATOM 953 CA ALA A 61 -25.020 -14.242 -15.912 1.00 0.35 C ATOM 954 C ALA A 61 -25.222 -13.931 -17.396 1.00 0.35 C ATOM 955 O ALA A 61 -24.717 -14.647 -18.267 1.00 0.43 O ATOM 956 CB ALA A 61 -23.535 -14.086 -15.551 1.00 0.31 C ATOM 0 H ALA A 61 -24.718 -16.288 -15.567 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.623 -13.537 -15.339 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.203 -13.079 -15.804 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.401 -14.255 -14.483 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.946 -14.813 -16.110 1.00 0.31 H new ATOM 962 N ILE A 62 -25.939 -12.842 -17.660 1.00 0.34 N ATOM 963 CA ILE A 62 -26.206 -12.367 -19.017 1.00 0.37 C ATOM 964 C ILE A 62 -25.452 -11.053 -19.223 1.00 0.31 C ATOM 965 O ILE A 62 -25.488 -10.170 -18.358 1.00 0.31 O ATOM 966 CB ILE A 62 -27.710 -12.149 -19.237 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.543 -13.191 -18.474 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.033 -12.190 -20.730 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.023 -13.130 -18.854 1.00 1.27 C ATOM 0 H ILE A 62 -26.355 -12.259 -16.934 1.00 0.34 H new ATOM 0 HA ILE A 62 -25.870 -13.115 -19.735 1.00 0.37 H new ATOM 0 HB ILE A 62 -27.972 -11.166 -18.846 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.156 -14.188 -18.683 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.437 -13.026 -17.402 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.102 -12.034 -20.875 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.479 -11.405 -21.244 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.749 -13.160 -21.137 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.574 -13.883 -18.291 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.418 -12.141 -18.621 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.133 -13.322 -19.921 1.00 1.27 H new ATOM 981 N CYS A 63 -24.766 -10.930 -20.353 1.00 0.34 N ATOM 982 CA CYS A 63 -23.983 -9.729 -20.671 1.00 0.33 C ATOM 983 C CYS A 63 -24.490 -9.088 -21.973 1.00 0.34 C ATOM 984 O CYS A 63 -24.418 -9.695 -23.045 1.00 0.52 O ATOM 985 CB CYS A 63 -22.491 -10.099 -20.786 1.00 0.37 C ATOM 986 SG CYS A 63 -21.476 -9.361 -19.495 1.00 0.53 S ATOM 0 H CYS A 63 -24.733 -11.651 -21.074 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.102 -9.000 -19.869 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.388 -11.183 -20.745 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.118 -9.780 -21.759 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.447 -8.777 -20.033 1.00 0.53 H new ATOM 992 N GLU A 64 -24.996 -7.854 -21.864 1.00 0.26 N ATOM 993 CA GLU A 64 -25.518 -7.096 -23.014 1.00 0.29 C ATOM 994 C GLU A 64 -24.583 -5.924 -23.333 1.00 0.24 C ATOM 995 O GLU A 64 -24.012 -5.319 -22.427 1.00 0.36 O ATOM 996 CB GLU A 64 -26.923 -6.566 -22.706 1.00 0.33 C ATOM 997 CG GLU A 64 -27.861 -7.685 -22.249 1.00 0.81 C ATOM 998 CD GLU A 64 -29.242 -7.120 -21.951 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.355 -6.261 -21.055 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.217 -7.530 -22.615 1.00 1.83 O ATOM 0 H GLU A 64 -25.056 -7.351 -20.979 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.571 -7.760 -23.877 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.862 -5.802 -21.931 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.334 -6.086 -23.594 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.931 -8.450 -23.023 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.457 -8.168 -21.359 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.431 -5.605 -24.616 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.561 -4.509 -25.055 1.00 0.32 C ATOM 1009 C VAL A 65 -24.294 -3.161 -24.987 1.00 0.31 C ATOM 1010 O VAL A 65 -25.437 -3.036 -25.434 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.072 -4.776 -26.486 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.990 -3.771 -26.892 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.536 -6.205 -26.621 1.00 0.39 C ATOM 0 H VAL A 65 -24.902 -6.093 -25.378 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.703 -4.459 -24.384 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.925 -4.657 -27.155 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.661 -3.982 -27.909 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.396 -2.760 -26.844 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.142 -3.854 -26.212 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.195 -6.371 -27.643 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.703 -6.347 -25.933 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.328 -6.915 -26.383 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.615 -2.156 -24.434 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.148 -0.796 -24.293 1.00 0.31 C ATOM 1025 C ALA A 66 -23.104 0.201 -24.800 1.00 0.34 C ATOM 1026 O ALA A 66 -22.354 0.797 -24.024 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.487 -0.516 -22.822 1.00 0.36 C ATOM 0 H ALA A 66 -22.669 -2.262 -24.067 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.061 -0.693 -24.880 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.882 0.495 -22.726 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.234 -1.232 -22.478 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.586 -0.613 -22.216 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.047 0.363 -26.119 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.084 1.270 -26.757 1.00 0.71 C ATOM 1035 C LEU A 67 -22.596 2.714 -26.735 1.00 0.89 C ATOM 1036 O LEU A 67 -21.820 3.648 -26.532 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.819 0.810 -28.206 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.329 0.689 -28.521 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.582 1.977 -28.184 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -19.734 -0.498 -27.782 1.00 1.38 C ATOM 0 H LEU A 67 -23.659 -0.123 -26.775 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.149 1.239 -26.197 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.301 -0.154 -28.371 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.276 1.518 -28.897 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.218 0.523 -29.593 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.525 1.857 -28.420 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -19.993 2.800 -28.769 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -19.694 2.195 -27.122 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -18.672 -0.575 -28.013 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.862 -0.360 -26.708 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.241 -1.412 -28.093 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.899 2.889 -26.950 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.526 4.218 -26.975 1.00 1.14 C ATOM 1054 C ASP A 68 -25.178 4.572 -25.626 1.00 0.87 C ATOM 1055 O ASP A 68 -26.330 5.010 -25.580 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.556 4.304 -28.130 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.674 3.257 -28.020 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.504 2.242 -27.313 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.731 3.451 -28.657 1.00 2.62 O ATOM 0 H ASP A 68 -24.550 2.121 -27.111 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.740 4.953 -27.151 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.999 5.300 -28.140 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.038 4.175 -29.081 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.424 4.410 -24.539 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.900 4.737 -23.187 1.00 0.69 C ATOM 1066 C TYR A 69 -24.225 6.032 -22.729 1.00 0.97 C ATOM 1067 O TYR A 69 -23.309 5.999 -21.911 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.573 3.588 -22.219 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.049 3.833 -20.801 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.407 3.845 -20.517 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.134 4.047 -19.781 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.844 4.067 -19.224 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.577 4.270 -18.487 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.910 4.283 -18.209 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.374 4.506 -16.929 1.00 0.97 O ATOM 0 H TYR A 69 -23.470 4.050 -24.566 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.981 4.874 -23.197 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.027 2.670 -22.592 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.495 3.429 -22.209 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.124 3.681 -21.307 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.076 4.040 -19.995 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.901 4.073 -19.001 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.861 4.434 -17.695 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.224 4.035 -16.802 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.669 7.168 -23.292 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.106 8.494 -22.982 1.00 1.81 C ATOM 1087 C LYS A 70 -22.615 8.523 -23.341 1.00 1.82 C ATOM 1088 O LYS A 70 -21.760 8.351 -22.475 1.00 2.53 O ATOM 1089 CB LYS A 70 -24.323 8.852 -21.505 1.00 2.43 C ATOM 1090 CG LYS A 70 -25.815 8.888 -21.158 1.00 2.98 C ATOM 1091 CD LYS A 70 -26.097 9.826 -19.976 1.00 3.79 C ATOM 1092 CE LYS A 70 -27.285 10.749 -20.259 1.00 4.45 C ATOM 1093 NZ LYS A 70 -26.941 11.805 -21.254 1.00 4.84 N ATOM 0 H LYS A 70 -25.427 7.194 -23.974 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.625 9.243 -23.581 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.817 8.122 -20.873 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -23.874 9.822 -21.293 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.384 9.217 -22.028 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.157 7.882 -20.915 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -26.299 9.235 -19.083 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -25.211 10.426 -19.768 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -28.123 10.159 -20.630 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -27.611 11.217 -19.330 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -27.771 12.410 -21.419 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -26.158 12.384 -20.889 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -26.654 11.359 -22.149 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.333 8.709 -24.636 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.969 8.733 -25.197 1.00 2.22 C ATOM 1109 C LYS A 71 -20.489 7.300 -25.463 1.00 2.19 C ATOM 1110 O LYS A 71 -20.903 6.350 -24.791 1.00 2.78 O ATOM 1111 CB LYS A 71 -19.965 9.474 -24.295 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.442 10.887 -23.939 1.00 3.56 C ATOM 1113 CD LYS A 71 -19.365 11.664 -23.171 1.00 4.44 C ATOM 1114 CE LYS A 71 -18.577 12.600 -24.095 1.00 5.27 C ATOM 1115 NZ LYS A 71 -17.598 13.431 -23.337 1.00 5.62 N ATOM 0 H LYS A 71 -23.057 8.850 -25.340 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.016 9.287 -26.134 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -19.811 8.903 -23.380 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.001 9.534 -24.800 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -20.701 11.426 -24.850 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.348 10.826 -23.336 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -19.832 12.245 -22.376 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -18.681 10.963 -22.693 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -18.050 12.011 -24.845 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -19.269 13.251 -24.629 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -17.085 14.051 -23.996 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -18.104 14.012 -22.638 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -16.922 12.811 -22.847 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.616 7.150 -26.455 1.00 2.22 N ATOM 1130 CA LYS A 72 -19.076 5.841 -26.834 1.00 2.54 C ATOM 1131 C LYS A 72 -17.904 5.462 -25.929 1.00 1.92 C ATOM 1132 O LYS A 72 -16.756 5.397 -26.370 1.00 2.45 O ATOM 1133 CB LYS A 72 -18.639 5.860 -28.308 1.00 3.71 C ATOM 1134 CG LYS A 72 -19.803 6.228 -29.236 1.00 4.59 C ATOM 1135 CD LYS A 72 -19.303 6.598 -30.635 1.00 5.67 C ATOM 1136 CE LYS A 72 -19.134 5.352 -31.510 1.00 6.56 C ATOM 1137 NZ LYS A 72 -18.425 5.662 -32.785 1.00 7.03 N ATOM 0 H LYS A 72 -19.263 7.924 -27.017 1.00 2.22 H new ATOM 0 HA LYS A 72 -19.856 5.090 -26.711 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -17.828 6.576 -28.439 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -18.247 4.881 -28.585 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -20.495 5.389 -29.305 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -20.358 7.065 -28.813 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -20.007 7.284 -31.106 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -18.351 7.123 -30.557 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -18.577 4.594 -30.959 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -20.113 4.929 -31.733 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -18.330 4.794 -33.349 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -18.969 6.367 -33.322 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -17.480 6.042 -32.573 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.206 5.218 -24.653 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.183 4.846 -23.665 1.00 1.35 C ATOM 1153 C LYS A 73 -17.031 3.321 -23.552 1.00 1.05 C ATOM 1154 O LYS A 73 -16.207 2.843 -22.776 1.00 1.79 O ATOM 1155 CB LYS A 73 -17.515 5.458 -22.293 1.00 1.94 C ATOM 1156 CG LYS A 73 -19.014 5.398 -21.971 1.00 2.32 C ATOM 1157 CD LYS A 73 -19.263 5.487 -20.461 1.00 2.93 C ATOM 1158 CE LYS A 73 -20.466 6.377 -20.141 1.00 3.52 C ATOM 1159 NZ LYS A 73 -20.170 7.810 -20.415 1.00 3.96 N ATOM 0 H LYS A 73 -19.152 5.271 -24.275 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.229 5.247 -24.009 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -16.959 4.930 -21.519 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -17.183 6.496 -22.272 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -19.530 6.215 -22.476 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -19.434 4.469 -22.357 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -19.432 4.488 -20.060 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -18.375 5.883 -19.968 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -21.323 6.061 -20.736 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -20.742 6.255 -19.094 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -20.354 8.372 -19.559 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -19.172 7.912 -20.689 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -20.777 8.148 -21.188 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.815 2.571 -24.343 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.773 1.092 -24.367 1.00 0.38 C ATOM 1175 C HIS A 74 -18.234 0.500 -23.029 1.00 0.30 C ATOM 1176 O HIS A 74 -17.415 0.179 -22.163 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.357 0.580 -24.721 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.836 1.104 -26.033 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.121 2.272 -26.149 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.943 0.637 -27.304 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.814 2.517 -27.399 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.300 1.534 -28.140 1.00 1.53 N ATOM 0 H HIS A 74 -18.499 2.970 -24.987 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.463 0.760 -25.143 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.668 0.865 -23.926 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.372 -0.509 -24.755 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.441 -0.272 -27.608 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.261 3.371 -27.761 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.215 1.451 -29.153 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.553 0.361 -22.871 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.154 -0.188 -21.650 1.00 0.23 C ATOM 1192 C VAL A 75 -20.934 -1.467 -21.974 1.00 0.22 C ATOM 1193 O VAL A 75 -21.318 -1.704 -23.120 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.093 0.867 -21.025 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.740 0.360 -19.738 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.344 2.165 -20.735 1.00 0.31 C ATOM 0 H VAL A 75 -20.234 0.625 -23.583 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.366 -0.436 -20.939 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.879 1.059 -21.756 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.393 1.132 -19.330 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.325 -0.534 -19.953 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.964 0.120 -19.011 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.029 2.890 -20.296 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.529 1.967 -20.038 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.938 2.566 -21.664 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.188 -2.281 -20.956 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.954 -3.517 -21.108 1.00 0.23 C ATOM 1208 C PHE A 76 -22.718 -3.790 -19.814 1.00 0.22 C ATOM 1209 O PHE A 76 -22.198 -3.573 -18.716 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.052 -4.702 -21.494 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.914 -4.984 -20.536 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.722 -4.287 -20.647 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.055 -5.961 -19.565 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.673 -4.569 -19.790 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.007 -6.241 -18.704 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.815 -5.545 -18.817 1.00 0.29 C ATOM 0 H PHE A 76 -20.870 -2.105 -20.003 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.666 -3.396 -21.925 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.669 -5.597 -21.574 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.635 -4.513 -22.483 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.611 -3.523 -21.403 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.984 -6.506 -19.479 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.743 -4.028 -19.880 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.119 -7.001 -17.945 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.997 -5.763 -18.147 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.962 -4.250 -19.951 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.823 -4.542 -18.802 1.00 0.28 C ATOM 1228 C LYS A 77 -24.650 -5.994 -18.369 1.00 0.31 C ATOM 1229 O LYS A 77 -24.813 -6.911 -19.174 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.298 -4.299 -19.150 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.513 -3.004 -19.942 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.813 -2.303 -19.528 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.050 -2.971 -20.149 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.451 -4.215 -19.421 1.00 1.95 N ATOM 0 H LYS A 77 -24.400 -4.430 -20.854 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.532 -3.877 -17.989 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.674 -5.142 -19.730 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.882 -4.259 -18.231 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.669 -2.333 -19.781 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.543 -3.229 -21.008 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.901 -2.315 -18.442 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.774 -1.257 -19.833 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.881 -2.266 -20.144 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.844 -3.214 -21.192 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.483 -4.226 -19.294 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.161 -5.048 -19.972 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -28.988 -4.237 -18.490 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.348 -6.183 -17.094 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.170 -7.508 -16.506 1.00 0.24 C ATOM 1250 C LEU A 78 -25.384 -7.821 -15.632 1.00 0.29 C ATOM 1251 O LEU A 78 -25.535 -7.263 -14.544 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.875 -7.552 -15.673 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.004 -8.775 -15.995 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -21.086 -9.087 -14.811 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.848 -10.007 -16.366 1.00 0.30 C ATOM 0 H LEU A 78 -24.218 -5.419 -16.431 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.086 -8.256 -17.294 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.300 -6.644 -15.855 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.130 -7.561 -14.613 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.398 -8.530 -16.867 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.471 -9.956 -15.046 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.443 -8.230 -14.614 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.690 -9.298 -13.928 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.189 -10.847 -16.586 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.500 -10.266 -15.532 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.454 -9.782 -17.244 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.247 -8.702 -16.123 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.462 -9.099 -15.410 1.00 0.40 C ATOM 1269 C ARG A 79 -27.263 -10.462 -14.754 1.00 0.45 C ATOM 1270 O ARG A 79 -26.832 -11.415 -15.408 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.640 -9.175 -16.390 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.172 -7.785 -16.758 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.897 -7.794 -18.109 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.557 -9.087 -18.340 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.868 -9.251 -18.195 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.404 -9.248 -16.982 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -32.627 -9.438 -19.261 1.00 2.93 N ATOM 0 H ARG A 79 -26.128 -9.163 -17.025 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.675 -8.357 -14.641 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.325 -9.694 -17.295 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.443 -9.765 -15.947 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.854 -7.439 -15.981 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -28.344 -7.076 -16.794 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.636 -6.994 -18.135 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.185 -7.596 -18.910 1.00 1.51 H new ATOM 0 HE ARG A 79 -29.989 -9.886 -18.621 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.810 -9.120 -16.162 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.410 -9.374 -16.869 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -32.206 -9.456 -20.190 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -33.634 -9.564 -19.155 1.00 2.93 H new ATOM 1291 N LEU A 80 -27.601 -10.553 -13.467 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.487 -11.808 -12.719 1.00 0.68 C ATOM 1293 C LEU A 80 -28.693 -12.704 -13.026 1.00 0.84 C ATOM 1294 O LEU A 80 -29.430 -12.473 -13.994 1.00 1.06 O ATOM 1295 CB LEU A 80 -27.417 -11.512 -11.208 1.00 0.82 C ATOM 1296 CG LEU A 80 -26.048 -10.967 -10.798 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -26.000 -10.708 -9.292 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.928 -11.925 -11.208 1.00 1.26 C ATOM 0 H LEU A 80 -27.957 -9.770 -12.918 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.575 -12.325 -13.019 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -28.190 -10.790 -10.943 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -27.627 -12.424 -10.649 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.895 -10.022 -11.320 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -25.018 -10.321 -9.021 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -26.764 -9.979 -9.024 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -26.183 -11.640 -8.757 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.966 -11.512 -10.904 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -25.078 -12.889 -10.723 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.940 -12.057 -12.290 1.00 1.26 H new ATOM 1310 N SER A 81 -28.891 -13.713 -12.180 1.00 1.01 N ATOM 1311 CA SER A 81 -29.998 -14.664 -12.304 1.00 1.23 C ATOM 1312 C SER A 81 -31.343 -13.927 -12.386 1.00 1.40 C ATOM 1313 O SER A 81 -32.108 -14.131 -13.330 1.00 1.92 O ATOM 1314 CB SER A 81 -29.986 -15.631 -11.102 1.00 1.52 C ATOM 1315 OG SER A 81 -29.235 -15.094 -10.010 1.00 2.18 O ATOM 0 H SER A 81 -28.283 -13.897 -11.382 1.00 1.01 H new ATOM 0 HA SER A 81 -29.871 -15.234 -13.224 1.00 1.23 H new ATOM 0 HB2 SER A 81 -31.009 -15.828 -10.781 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.558 -16.586 -11.405 1.00 1.52 H new ATOM 0 HG SER A 81 -29.246 -15.727 -9.262 1.00 2.18 H new ATOM 1321 N ASP A 82 -31.588 -13.055 -11.401 1.00 1.33 N ATOM 1322 CA ASP A 82 -32.818 -12.241 -11.317 1.00 1.76 C ATOM 1323 C ASP A 82 -32.849 -11.505 -9.974 1.00 1.31 C ATOM 1324 O ASP A 82 -33.660 -11.828 -9.102 1.00 1.74 O ATOM 1325 CB ASP A 82 -34.089 -13.111 -11.440 1.00 2.76 C ATOM 1326 CG ASP A 82 -35.342 -12.238 -11.586 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -35.314 -11.263 -12.369 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -36.360 -12.532 -10.926 1.00 3.77 O ATOM 0 H ASP A 82 -30.938 -12.889 -10.633 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.807 -11.532 -12.145 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -33.999 -13.772 -12.302 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -34.185 -13.747 -10.560 1.00 2.76 H new ATOM 1333 N GLY A 83 -31.963 -10.529 -9.787 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.918 -9.792 -8.527 1.00 1.53 C ATOM 1335 C GLY A 83 -31.156 -8.480 -8.644 1.00 1.31 C ATOM 1336 O GLY A 83 -31.657 -7.436 -8.176 1.00 1.88 O ATOM 0 H GLY A 83 -31.276 -10.233 -10.481 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -32.935 -9.589 -8.193 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.450 -10.413 -7.763 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.945 -8.525 -9.249 1.00 0.93 N ATOM 1341 CA ASN A 84 -29.103 -7.333 -9.401 1.00 0.71 C ATOM 1342 C ASN A 84 -28.540 -7.285 -10.818 1.00 0.62 C ATOM 1343 O ASN A 84 -28.373 -8.328 -11.454 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.922 -7.381 -8.403 1.00 0.84 C ATOM 1345 CG ASN A 84 -28.331 -6.992 -6.974 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -29.452 -7.242 -6.532 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.407 -6.392 -6.235 1.00 1.32 N ATOM 0 H ASN A 84 -29.537 -9.376 -9.636 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.711 -6.450 -9.205 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -27.501 -8.386 -8.394 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -27.135 -6.709 -8.746 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.617 -6.125 -5.273 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.486 -6.198 -6.629 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.221 -6.075 -11.287 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.633 -5.851 -12.609 1.00 0.55 C ATOM 1356 C GLU A 85 -26.706 -4.631 -12.508 1.00 0.47 C ATOM 1357 O GLU A 85 -27.032 -3.644 -11.834 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.742 -5.665 -13.685 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.623 -4.347 -14.459 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.580 -4.335 -15.647 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.810 -4.353 -15.431 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -29.105 -4.317 -16.800 1.00 1.43 O ATOM 0 H GLU A 85 -28.365 -5.217 -10.755 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.052 -6.717 -12.925 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.699 -6.496 -14.389 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.718 -5.707 -13.202 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.845 -3.509 -13.798 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.599 -4.215 -14.808 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.545 -4.712 -13.154 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.549 -3.632 -13.111 1.00 0.31 C ATOM 1371 C TYR A 86 -24.046 -3.277 -14.512 1.00 0.29 C ATOM 1372 O TYR A 86 -24.091 -4.094 -15.429 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.351 -4.068 -12.247 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.735 -4.571 -10.868 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.238 -5.853 -10.715 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -23.592 -3.752 -9.754 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -24.593 -6.317 -9.460 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.948 -4.220 -8.499 1.00 0.67 C ATOM 1379 CZ TYR A 86 -24.428 -5.483 -8.347 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.794 -5.964 -7.109 1.00 0.77 O ATOM 0 H TYR A 86 -25.266 -5.516 -13.717 1.00 0.33 H new ATOM 0 HA TYR A 86 -25.029 -2.753 -12.682 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.806 -4.854 -12.770 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.669 -3.225 -12.138 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.353 -6.492 -11.578 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -23.203 -2.751 -9.866 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.993 -7.313 -9.340 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.844 -3.578 -7.637 1.00 0.67 H new ATOM 0 HH TYR A 86 -24.624 -5.279 -6.429 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.522 -2.059 -14.642 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.941 -1.565 -15.891 1.00 0.23 C ATOM 1392 C LEU A 87 -21.426 -1.542 -15.733 1.00 0.22 C ATOM 1393 O LEU A 87 -20.913 -1.034 -14.727 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.428 -0.142 -16.216 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.949 -0.032 -16.284 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.349 1.339 -16.828 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.548 -1.142 -17.148 1.00 0.38 C ATOM 0 H LEU A 87 -23.488 -1.383 -13.879 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.248 -2.222 -16.705 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.053 0.546 -15.458 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.004 0.172 -17.170 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.344 -0.146 -15.274 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.436 1.409 -16.873 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.962 2.118 -16.171 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.935 1.469 -17.828 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.632 -1.036 -17.176 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.150 -1.070 -18.160 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.289 -2.112 -16.724 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.715 -2.087 -16.715 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.252 -2.132 -16.686 1.00 0.19 C ATOM 1411 C PHE A 88 -18.685 -1.436 -17.922 1.00 0.20 C ATOM 1412 O PHE A 88 -19.086 -1.737 -19.044 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.772 -3.584 -16.618 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.850 -4.157 -15.221 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.833 -3.903 -14.318 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.937 -4.928 -14.838 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.896 -4.418 -13.038 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.999 -5.443 -13.554 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.980 -5.187 -12.654 1.00 0.22 C ATOM 0 H PHE A 88 -21.129 -2.507 -17.547 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.896 -1.609 -15.798 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.375 -4.194 -17.291 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.743 -3.640 -16.973 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.987 -3.300 -14.615 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.734 -5.126 -15.540 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.099 -4.220 -12.337 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.844 -6.045 -13.255 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.031 -5.587 -11.652 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.758 -0.500 -17.706 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.131 0.259 -18.796 1.00 0.26 C ATOM 1431 C GLN A 89 -15.670 -0.165 -18.970 1.00 0.22 C ATOM 1432 O GLN A 89 -14.889 -0.152 -18.010 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.207 1.762 -18.502 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.860 2.597 -19.742 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.807 3.653 -19.406 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.059 4.566 -18.621 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.630 3.531 -20.000 1.00 1.63 N ATOM 0 H GLN A 89 -17.421 -0.246 -16.777 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.669 0.049 -19.720 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.210 2.016 -18.160 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.522 2.010 -17.692 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.489 1.945 -20.533 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.759 3.081 -20.123 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.462 2.759 -20.645 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.892 4.209 -19.813 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.306 -0.519 -20.204 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.939 -0.934 -20.543 1.00 0.24 C ATOM 1448 C ALA A 90 -13.193 0.219 -21.219 1.00 0.27 C ATOM 1449 O ALA A 90 -13.766 1.281 -21.485 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.980 -2.148 -21.475 1.00 0.29 C ATOM 0 H ALA A 90 -15.948 -0.527 -20.997 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.413 -1.205 -19.627 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.963 -2.451 -21.723 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.493 -2.971 -20.978 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.514 -1.887 -22.389 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.912 0.002 -21.502 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.074 1.013 -22.152 1.00 0.44 C ATOM 1458 C LYS A 91 -11.084 0.814 -23.671 1.00 0.49 C ATOM 1459 O LYS A 91 -11.290 1.765 -24.428 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.640 0.927 -21.616 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.575 1.221 -20.109 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.813 0.132 -19.340 1.00 1.43 C ATOM 1463 CE LYS A 91 -9.721 -0.594 -18.340 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.244 -1.974 -18.053 1.00 2.29 N ATOM 0 H LYS A 91 -11.426 -0.870 -21.291 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.476 2.001 -21.928 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.239 -0.068 -21.810 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.009 1.636 -22.152 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.090 2.184 -19.949 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.587 1.304 -19.712 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.398 -0.589 -20.045 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.973 0.580 -18.810 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -9.765 -0.025 -17.411 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -10.736 -0.636 -18.736 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -9.454 -2.215 -17.063 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.727 -2.646 -18.683 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.218 -2.027 -18.212 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.866 -0.431 -24.107 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.844 -0.777 -25.540 1.00 0.66 C ATOM 1480 C ASP A 92 -12.013 -1.700 -25.888 1.00 0.59 C ATOM 1481 O ASP A 92 -12.501 -2.452 -25.037 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.521 -1.485 -25.887 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.267 -1.478 -27.393 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.769 -0.458 -27.907 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.562 -2.489 -28.060 1.00 2.01 O ATOM 0 H ASP A 92 -10.701 -1.224 -23.487 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.933 0.144 -26.117 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.696 -0.990 -25.374 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.550 -2.513 -25.526 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.430 -1.663 -27.156 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.518 -2.517 -27.663 1.00 0.63 C ATOM 1492 C ASP A 93 -13.100 -3.996 -27.594 1.00 0.49 C ATOM 1493 O ASP A 93 -13.926 -4.871 -27.338 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.868 -2.123 -29.110 1.00 0.83 C ATOM 1495 CG ASP A 93 -15.005 -2.989 -29.667 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -16.187 -2.688 -29.398 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.716 -3.970 -30.384 1.00 2.13 O ATOM 0 H ASP A 93 -12.028 -1.045 -27.861 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.402 -2.375 -27.041 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.159 -1.073 -29.142 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.986 -2.229 -29.741 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.797 -4.260 -27.788 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.256 -5.619 -27.719 1.00 0.41 C ATOM 1504 C GLU A 94 -11.300 -6.112 -26.269 1.00 0.36 C ATOM 1505 O GLU A 94 -11.604 -7.275 -26.002 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.816 -5.630 -28.262 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.493 -6.938 -28.999 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.044 -8.023 -28.026 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -8.256 -7.713 -27.111 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -9.467 -9.187 -28.180 1.00 2.59 O ATOM 0 H GLU A 94 -11.100 -3.544 -27.994 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.858 -6.290 -28.331 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.677 -4.787 -28.939 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.116 -5.495 -27.438 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.373 -7.277 -29.545 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.710 -6.760 -29.736 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.040 -5.193 -25.337 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.086 -5.489 -23.905 1.00 0.29 C ATOM 1519 C GLU A 95 -12.534 -5.759 -23.493 1.00 0.24 C ATOM 1520 O GLU A 95 -12.827 -6.746 -22.819 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.531 -4.306 -23.105 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.004 -4.744 -21.732 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.163 -3.627 -20.706 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.270 -2.446 -21.103 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.178 -3.929 -19.497 1.00 1.30 O ATOM 0 H GLU A 95 -10.793 -4.227 -25.553 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.476 -6.369 -23.699 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.728 -3.831 -23.668 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.313 -3.558 -22.973 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.543 -5.630 -21.397 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -8.953 -5.022 -21.813 1.00 0.42 H new ATOM 1532 N MET A 96 -13.435 -4.873 -23.935 1.00 0.24 N ATOM 1533 CA MET A 96 -14.873 -4.979 -23.658 1.00 0.22 C ATOM 1534 C MET A 96 -15.408 -6.335 -24.134 1.00 0.22 C ATOM 1535 O MET A 96 -16.164 -7.004 -23.427 1.00 0.23 O ATOM 1536 CB MET A 96 -15.619 -3.837 -24.368 1.00 0.26 C ATOM 1537 CG MET A 96 -17.036 -3.649 -23.817 1.00 0.39 C ATOM 1538 SD MET A 96 -18.101 -2.709 -24.927 1.00 0.94 S ATOM 1539 CE MET A 96 -18.055 -3.728 -26.412 1.00 0.77 C ATOM 0 H MET A 96 -13.186 -4.059 -24.497 1.00 0.24 H new ATOM 0 HA MET A 96 -15.036 -4.901 -22.583 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.058 -2.910 -24.251 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.670 -4.046 -25.437 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.482 -4.627 -23.635 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.982 -3.139 -22.855 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.980 -3.595 -26.973 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.209 -3.430 -27.031 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.948 -4.776 -26.131 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.986 -6.737 -25.334 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.396 -8.017 -25.929 1.00 0.28 C ATOM 1551 C ASN A 97 -14.866 -9.201 -25.101 1.00 0.26 C ATOM 1552 O ASN A 97 -15.600 -10.145 -24.817 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.875 -8.107 -27.374 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.689 -9.097 -28.212 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.818 -9.451 -27.869 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.117 -9.541 -29.322 1.00 1.24 N ATOM 0 H ASN A 97 -14.355 -6.191 -25.920 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.485 -8.066 -25.933 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.915 -7.121 -27.837 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.829 -8.413 -27.365 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.613 -10.198 -29.924 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.180 -9.226 -29.574 1.00 1.24 H new ATOM 1563 N THR A 98 -13.585 -9.136 -24.706 1.00 0.25 N ATOM 1564 CA THR A 98 -12.950 -10.193 -23.902 1.00 0.27 C ATOM 1565 C THR A 98 -13.623 -10.309 -22.524 1.00 0.23 C ATOM 1566 O THR A 98 -13.826 -11.413 -22.014 1.00 0.27 O ATOM 1567 CB THR A 98 -11.446 -9.903 -23.758 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.875 -9.670 -25.045 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.722 -11.070 -23.081 1.00 0.39 C ATOM 0 H THR A 98 -12.965 -8.358 -24.932 1.00 0.25 H new ATOM 0 HA THR A 98 -13.075 -11.148 -24.412 1.00 0.27 H new ATOM 0 HB THR A 98 -11.328 -9.016 -23.135 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.923 -8.714 -25.256 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.661 -10.838 -22.992 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.142 -11.232 -22.088 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.847 -11.972 -23.680 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.993 -9.162 -21.943 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.674 -9.122 -20.639 1.00 0.20 C ATOM 1579 C TRP A 99 -16.035 -9.820 -20.740 1.00 0.21 C ATOM 1580 O TRP A 99 -16.341 -10.722 -19.959 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.868 -7.662 -20.182 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.701 -7.107 -19.418 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.899 -6.061 -19.789 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.203 -7.563 -18.141 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.950 -5.872 -18.827 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.105 -6.761 -17.809 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.584 -8.568 -17.247 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.387 -6.940 -16.639 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.869 -8.753 -16.072 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.782 -7.943 -15.769 1.00 0.29 C ATOM 0 H TRP A 99 -13.832 -8.243 -22.356 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.058 -9.641 -19.905 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.047 -7.038 -21.057 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.760 -7.601 -19.559 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.001 -5.481 -20.694 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.221 -5.159 -18.866 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.432 -9.198 -17.470 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.539 -6.312 -16.410 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.161 -9.535 -15.386 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.240 -8.096 -14.847 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.841 -9.398 -21.720 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.176 -9.965 -21.960 1.00 0.24 C ATOM 1603 C ILE A 100 -18.101 -11.479 -22.218 1.00 0.28 C ATOM 1604 O ILE A 100 -18.885 -12.246 -21.660 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.826 -9.233 -23.148 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.269 -7.827 -22.719 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.009 -10.017 -23.729 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.742 -6.993 -23.910 1.00 0.29 C ATOM 0 H ILE A 100 -16.588 -8.654 -22.370 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.789 -9.823 -21.070 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.078 -9.150 -23.937 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.074 -7.907 -21.988 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.440 -7.319 -22.226 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.437 -9.463 -24.565 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.664 -10.991 -24.077 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.768 -10.155 -22.959 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.047 -6.005 -23.564 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.929 -6.891 -24.629 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.588 -7.487 -24.387 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.156 -11.906 -23.057 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.983 -13.331 -23.380 1.00 0.35 C ATOM 1622 C GLN A 101 -16.583 -14.140 -22.135 1.00 0.36 C ATOM 1623 O GLN A 101 -17.083 -15.246 -21.921 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.931 -13.494 -24.482 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.504 -13.106 -25.849 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.516 -13.436 -26.962 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.732 -12.588 -27.388 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.545 -14.673 -27.426 1.00 1.76 N ATOM 0 H GLN A 101 -16.496 -11.288 -23.528 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.938 -13.718 -23.737 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.064 -12.872 -24.257 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.584 -14.527 -24.509 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.441 -13.636 -26.019 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.733 -12.040 -25.864 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.211 -15.345 -27.045 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.901 -14.956 -28.165 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.691 -13.577 -21.313 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.227 -14.242 -20.084 1.00 0.37 C ATOM 1639 C ALA A 102 -16.375 -14.411 -19.079 1.00 0.38 C ATOM 1640 O ALA A 102 -16.487 -15.448 -18.424 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.089 -13.435 -19.453 1.00 0.38 C ATOM 0 H ALA A 102 -15.273 -12.661 -21.474 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.862 -15.234 -20.349 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.751 -13.933 -18.544 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.260 -13.363 -20.157 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.445 -12.434 -19.208 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.226 -13.387 -18.977 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.382 -13.397 -18.069 1.00 0.38 C ATOM 1649 C ILE A 103 -19.498 -14.304 -18.616 1.00 0.47 C ATOM 1650 O ILE A 103 -20.136 -15.034 -17.856 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.898 -11.962 -17.888 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.893 -11.131 -17.083 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.268 -11.939 -17.200 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.046 -9.639 -17.370 1.00 0.35 C ATOM 0 H ILE A 103 -17.136 -12.528 -19.519 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.071 -13.794 -17.103 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.012 -11.525 -18.880 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.037 -11.315 -16.018 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.879 -11.448 -17.327 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.602 -10.907 -17.088 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.988 -12.490 -17.805 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.189 -12.403 -16.217 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.318 -9.079 -16.783 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.877 -9.453 -18.431 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.053 -9.318 -17.102 1.00 0.35 H new ATOM 1666 N SER A 104 -19.733 -14.252 -19.936 1.00 0.53 N ATOM 1667 CA SER A 104 -20.776 -15.068 -20.588 1.00 0.66 C ATOM 1668 C SER A 104 -20.455 -16.567 -20.483 1.00 0.72 C ATOM 1669 O SER A 104 -21.349 -17.386 -20.265 1.00 0.89 O ATOM 1670 CB SER A 104 -20.930 -14.652 -22.059 1.00 0.81 C ATOM 1671 OG SER A 104 -21.303 -13.280 -22.152 1.00 1.05 O ATOM 0 H SER A 104 -19.214 -13.652 -20.577 1.00 0.53 H new ATOM 0 HA SER A 104 -21.719 -14.892 -20.071 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.993 -14.817 -22.590 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.684 -15.274 -22.542 1.00 0.81 H new ATOM 0 HG SER A 104 -20.499 -12.721 -22.137 1.00 1.05 H new ATOM 1677 N SER A 105 -19.173 -16.917 -20.621 1.00 0.80 N ATOM 1678 CA SER A 105 -18.733 -18.314 -20.520 1.00 1.13 C ATOM 1679 C SER A 105 -18.608 -18.723 -19.045 1.00 1.23 C ATOM 1680 O SER A 105 -19.169 -19.739 -18.626 1.00 1.61 O ATOM 1681 CB SER A 105 -17.391 -18.500 -21.241 1.00 1.48 C ATOM 1682 OG SER A 105 -17.466 -18.037 -22.587 1.00 1.63 O ATOM 0 H SER A 105 -18.420 -16.253 -20.803 1.00 0.80 H new ATOM 0 HA SER A 105 -19.476 -18.953 -20.998 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.610 -17.957 -20.709 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.111 -19.553 -21.230 1.00 1.48 H new ATOM 0 HG SER A 105 -17.358 -17.063 -22.604 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.874 -17.912 -18.267 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.653 -18.147 -16.831 1.00 1.59 C ATOM 1690 C ALA A 106 -17.021 -19.520 -16.589 1.00 2.40 C ATOM 1691 O ALA A 106 -15.845 -19.707 -16.970 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.967 -17.999 -16.057 1.00 1.90 C ATOM 1693 OXT ALA A 106 -17.698 -20.417 -16.045 1.00 3.05 O ATOM 0 H ALA A 106 -17.415 -17.071 -18.618 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.955 -17.395 -16.464 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.787 -18.176 -14.997 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.359 -16.991 -16.195 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.691 -18.724 -16.428 1.00 1.90 H new TER 1699 ALA A 106