USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= 0.876 K(o=1.7,f=-1.6) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.849 K(o=1.7,f=-0.28) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.14) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -162:sc= 2.32 (180deg=0.336) USER MOD Set 3.2: A 20 SER OG : rot -10:sc= 1.05 USER MOD Set 3.3: A 69 TYR OH : rot 104:sc= 1.14 USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.678 K(o=1.5,f=-3.3!) USER MOD Set 4.2: A 50 TYR OH : rot -152:sc= 0.799 USER MOD Set 5.1: A 9 HIS : no HE2:sc= -0.831 K(o=-0.83,f=-6.2!) USER MOD Set 5.2: A 22 SER OG : rot 162:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.39 (180deg=-1.12) USER MOD Single : A 6 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.53) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.9) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= 1.16 (180deg=-0.52) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00692 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 61:sc= 0.219 USER MOD Single : A 28 CYS SG : rot -69:sc= -0.0412 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 162:sc=-0.00348 (180deg=-0.787) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.109 (180deg=-0.678) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 76:sc= 1.09 USER MOD Single : A 46 SER OG : rot 100:sc= 1.22 USER MOD Single : A 51 HIS : no HE2:sc= 0.845 K(o=0.84,f=-4.7!) USER MOD Single : A 52 SER OG : rot 60:sc= 1.29 USER MOD Single : A 57 SER OG : rot -57:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -89:sc= -1.06 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.184) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc=-0.00249 (180deg=-0.131) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.152 (180deg=-0.818) USER MOD Single : A 74 HIS : no HE2:sc= 0.993 K(o=0.99,f=-5.1!) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= -0.0226 (180deg=-0.547) USER MOD Single : A 81 SER OG : rot 177:sc= 1.28 USER MOD Single : A 89 GLN : amide:sc= -0.588 K(o=-0.59,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 1.3 (180deg=0.508) USER MOD Single : A 96 MET CE :methyl -113:sc= -0.0871 (180deg=-3.01!) USER MOD Single : A 98 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 104 SER OG : rot 84:sc= 1.31 USER MOD Single : A 105 SER OG : rot 83:sc= 0.0469 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.544 -10.579 -18.967 1.00 1.74 N ATOM 2 CA MET A 1 -9.979 -10.799 -17.561 1.00 1.02 C ATOM 3 C MET A 1 -8.909 -10.274 -16.604 1.00 0.87 C ATOM 4 O MET A 1 -7.760 -10.063 -17.001 1.00 1.29 O ATOM 5 CB MET A 1 -10.278 -12.287 -17.285 1.00 1.60 C ATOM 6 CG MET A 1 -9.310 -13.222 -18.018 1.00 2.33 C ATOM 7 SD MET A 1 -9.774 -13.476 -19.743 1.00 3.31 S ATOM 8 CE MET A 1 -8.704 -14.856 -20.193 1.00 4.33 C ATOM 0 H1 MET A 1 -9.931 -11.331 -19.572 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.891 -9.656 -19.297 1.00 1.74 H new ATOM 0 H3 MET A 1 -8.505 -10.596 -19.016 1.00 1.74 H new ATOM 0 HA MET A 1 -10.906 -10.249 -17.399 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.218 -12.474 -16.213 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.299 -12.513 -17.592 1.00 1.60 H new ATOM 0 HG2 MET A 1 -8.303 -12.807 -17.973 1.00 2.33 H new ATOM 0 HG3 MET A 1 -9.281 -14.184 -17.507 1.00 2.33 H new ATOM 0 HE1 MET A 1 -8.878 -15.127 -21.234 1.00 4.33 H new ATOM 0 HE2 MET A 1 -7.662 -14.566 -20.063 1.00 4.33 H new ATOM 0 HE3 MET A 1 -8.925 -15.711 -19.554 1.00 4.33 H new ATOM 20 N GLU A 2 -9.300 -10.072 -15.338 1.00 0.51 N ATOM 21 CA GLU A 2 -8.415 -9.569 -14.282 1.00 0.37 C ATOM 22 C GLU A 2 -7.790 -8.233 -14.693 1.00 0.34 C ATOM 23 O GLU A 2 -6.649 -8.167 -15.156 1.00 0.48 O ATOM 24 CB GLU A 2 -7.350 -10.609 -13.948 1.00 0.53 C ATOM 25 CG GLU A 2 -7.905 -11.715 -13.037 1.00 0.96 C ATOM 26 CD GLU A 2 -8.804 -12.663 -13.820 1.00 1.61 C ATOM 27 OE1 GLU A 2 -8.278 -13.530 -14.554 1.00 2.09 O ATOM 28 OE2 GLU A 2 -10.042 -12.549 -13.699 1.00 2.16 O ATOM 0 H GLU A 2 -10.250 -10.256 -15.016 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.003 -9.391 -13.382 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.971 -11.052 -14.869 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.507 -10.122 -13.458 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.081 -12.273 -12.592 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.467 -11.268 -12.217 1.00 0.96 H new ATOM 35 N GLY A 3 -8.567 -7.175 -14.526 1.00 0.25 N ATOM 36 CA GLY A 3 -8.144 -5.823 -14.872 1.00 0.28 C ATOM 37 C GLY A 3 -9.100 -4.800 -14.273 1.00 0.22 C ATOM 38 O GLY A 3 -10.060 -5.156 -13.573 1.00 0.22 O ATOM 0 H GLY A 3 -9.512 -7.227 -14.146 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.133 -5.646 -14.504 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.113 -5.711 -15.956 1.00 0.28 H new ATOM 42 N PHE A 4 -8.835 -3.529 -14.556 1.00 0.24 N ATOM 43 CA PHE A 4 -9.667 -2.430 -14.055 1.00 0.21 C ATOM 44 C PHE A 4 -10.947 -2.310 -14.879 1.00 0.22 C ATOM 45 O PHE A 4 -10.940 -2.482 -16.101 1.00 0.27 O ATOM 46 CB PHE A 4 -8.900 -1.102 -14.087 1.00 0.23 C ATOM 47 CG PHE A 4 -8.068 -0.874 -12.847 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.674 -0.699 -11.613 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.688 -0.844 -12.947 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.902 -0.491 -10.484 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.915 -0.636 -11.821 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.566 -0.455 -10.557 1.00 0.41 C ATOM 0 H PHE A 4 -8.048 -3.229 -15.132 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.930 -2.654 -13.021 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.251 -1.084 -14.962 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.609 -0.281 -14.199 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.751 -0.725 -11.533 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.214 -0.984 -13.907 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.385 -0.355 -9.528 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.838 -0.610 -11.892 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.980 -0.290 -9.665 1.00 0.41 H new ATOM 62 N LEU A 5 -12.032 -2.005 -14.190 1.00 0.19 N ATOM 63 CA LEU A 5 -13.347 -1.845 -14.804 1.00 0.21 C ATOM 64 C LEU A 5 -14.116 -0.749 -14.074 1.00 0.20 C ATOM 65 O LEU A 5 -14.021 -0.617 -12.851 1.00 0.21 O ATOM 66 CB LEU A 5 -14.148 -3.161 -14.718 1.00 0.23 C ATOM 67 CG LEU A 5 -14.154 -3.942 -16.037 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.913 -5.258 -15.870 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.785 -3.120 -17.157 1.00 0.31 C ATOM 0 H LEU A 5 -12.030 -1.859 -13.180 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.212 -1.577 -15.852 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.725 -3.787 -13.933 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.175 -2.937 -14.429 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.120 -4.156 -16.306 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.909 -5.802 -16.814 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.430 -5.861 -15.101 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.942 -5.050 -15.575 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.776 -3.698 -18.081 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.813 -2.874 -16.893 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.217 -2.201 -17.298 1.00 0.31 H new ATOM 81 N ASN A 6 -14.911 0.003 -14.820 1.00 0.22 N ATOM 82 CA ASN A 6 -15.747 1.059 -14.241 1.00 0.23 C ATOM 83 C ASN A 6 -17.080 0.402 -13.892 1.00 0.22 C ATOM 84 O ASN A 6 -17.721 -0.168 -14.767 1.00 0.26 O ATOM 85 CB ASN A 6 -15.944 2.224 -15.229 1.00 0.28 C ATOM 86 CG ASN A 6 -14.611 2.703 -15.824 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.963 1.987 -16.584 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.202 3.914 -15.484 1.00 1.24 N ATOM 0 H ASN A 6 -14.999 -0.094 -15.832 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.276 1.490 -13.358 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.608 1.909 -16.034 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.433 3.054 -14.719 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.325 4.279 -15.855 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.764 4.483 -14.851 1.00 1.24 H new ATOM 95 N ARG A 7 -17.453 0.416 -12.616 1.00 0.23 N ATOM 96 CA ARG A 7 -18.678 -0.245 -12.143 1.00 0.24 C ATOM 97 C ARG A 7 -19.745 0.770 -11.723 1.00 0.25 C ATOM 98 O ARG A 7 -19.551 1.531 -10.771 1.00 0.32 O ATOM 99 CB ARG A 7 -18.318 -1.150 -10.952 1.00 0.28 C ATOM 100 CG ARG A 7 -19.526 -1.937 -10.426 1.00 0.34 C ATOM 101 CD ARG A 7 -19.085 -3.054 -9.472 1.00 0.54 C ATOM 102 NE ARG A 7 -20.165 -3.390 -8.536 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.971 -3.436 -7.216 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.180 -4.371 -6.698 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.574 -2.551 -6.433 1.00 1.71 N ATOM 0 H ARG A 7 -16.922 0.881 -11.880 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.095 -0.834 -12.960 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.537 -1.848 -11.253 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.907 -0.540 -10.147 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.207 -1.261 -9.909 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -20.077 -2.366 -11.263 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.804 -3.938 -10.044 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.201 -2.738 -8.918 1.00 0.54 H new ATOM 0 HE ARG A 7 -21.093 -3.595 -8.906 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.724 -5.049 -7.309 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.029 -4.410 -5.690 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.182 -1.840 -6.840 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.430 -2.581 -5.424 1.00 1.71 H new ATOM 119 N LYS A 8 -20.881 0.749 -12.424 1.00 0.27 N ATOM 120 CA LYS A 8 -22.016 1.631 -12.133 1.00 0.29 C ATOM 121 C LYS A 8 -23.255 0.780 -11.873 1.00 0.29 C ATOM 122 O LYS A 8 -23.748 0.085 -12.766 1.00 0.38 O ATOM 123 CB LYS A 8 -22.264 2.587 -13.303 1.00 0.36 C ATOM 124 CG LYS A 8 -23.313 3.659 -12.963 1.00 0.37 C ATOM 125 CD LYS A 8 -24.434 3.723 -14.012 1.00 0.50 C ATOM 126 CE LYS A 8 -25.768 4.129 -13.367 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.647 4.902 -14.294 1.00 1.02 N ATOM 0 H LYS A 8 -21.041 0.120 -13.211 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.792 2.228 -11.249 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.328 3.072 -13.579 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.596 2.018 -14.171 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.744 3.446 -11.985 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.827 4.632 -12.893 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.169 4.439 -14.790 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.540 2.752 -14.496 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.294 3.233 -13.037 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.569 4.728 -12.478 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.373 5.405 -13.745 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.074 5.591 -14.822 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.107 4.250 -14.961 1.00 1.02 H new ATOM 141 N HIS A 9 -23.751 0.833 -10.640 1.00 0.43 N ATOM 142 CA HIS A 9 -24.934 0.069 -10.238 1.00 0.52 C ATOM 143 C HIS A 9 -26.223 0.778 -10.681 1.00 0.58 C ATOM 144 O HIS A 9 -26.631 1.772 -10.087 1.00 0.73 O ATOM 145 CB HIS A 9 -24.935 -0.183 -8.708 1.00 0.68 C ATOM 146 CG HIS A 9 -24.798 1.043 -7.835 1.00 0.88 C ATOM 147 ND1 HIS A 9 -25.074 1.030 -6.492 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.414 2.321 -8.095 1.00 1.22 C ATOM 149 CE1 HIS A 9 -24.876 2.208 -5.954 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.471 3.028 -6.908 1.00 1.75 N ATOM 0 H HIS A 9 -23.350 1.402 -9.894 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.896 -0.899 -10.738 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.863 -0.691 -8.444 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.119 -0.866 -8.472 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -25.393 0.209 -5.978 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.118 2.714 -9.056 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -25.019 2.464 -4.914 1.00 1.69 H new ATOM 158 N GLU A 10 -26.857 0.250 -11.732 1.00 0.60 N ATOM 159 CA GLU A 10 -28.107 0.811 -12.267 1.00 0.73 C ATOM 160 C GLU A 10 -29.306 0.246 -11.493 1.00 0.83 C ATOM 161 O GLU A 10 -30.260 0.961 -11.189 1.00 1.00 O ATOM 162 CB GLU A 10 -28.222 0.473 -13.760 1.00 0.79 C ATOM 163 CG GLU A 10 -29.430 1.153 -14.422 1.00 1.28 C ATOM 164 CD GLU A 10 -29.179 2.644 -14.622 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.155 3.002 -15.242 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.002 3.461 -14.163 1.00 1.72 O ATOM 0 H GLU A 10 -26.524 -0.572 -12.235 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.100 1.895 -12.150 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.310 0.781 -14.271 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.305 -0.607 -13.880 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.634 0.683 -15.384 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.316 1.010 -13.803 1.00 1.28 H new ATOM 173 N TRP A 11 -29.234 -1.042 -11.167 1.00 0.82 N ATOM 174 CA TRP A 11 -30.284 -1.731 -10.419 1.00 0.96 C ATOM 175 C TRP A 11 -29.623 -2.719 -9.450 1.00 0.94 C ATOM 176 O TRP A 11 -28.783 -3.533 -9.851 1.00 0.84 O ATOM 177 CB TRP A 11 -31.240 -2.450 -11.390 1.00 1.08 C ATOM 178 CG TRP A 11 -32.396 -3.137 -10.708 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.481 -2.541 -10.128 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.576 -4.560 -10.535 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.299 -3.513 -9.622 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.779 -4.749 -9.849 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.834 -5.685 -10.896 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.251 -6.012 -9.522 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.299 -6.950 -10.571 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.495 -7.112 -9.890 1.00 1.53 C ATOM 0 H TRP A 11 -28.445 -1.639 -11.414 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.876 -1.015 -9.848 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.630 -1.725 -12.104 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.676 -3.188 -11.961 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.662 -1.478 -10.078 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.180 -3.335 -9.140 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.900 -5.571 -11.427 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.185 -6.134 -8.994 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.723 -7.819 -10.852 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.840 -8.105 -9.644 1.00 1.53 H new ATOM 197 N GLU A 12 -29.995 -2.627 -8.178 1.00 1.16 N ATOM 198 CA GLU A 12 -29.441 -3.492 -7.129 1.00 1.26 C ATOM 199 C GLU A 12 -30.502 -3.813 -6.073 1.00 1.56 C ATOM 200 O GLU A 12 -30.468 -4.882 -5.467 1.00 2.03 O ATOM 201 CB GLU A 12 -28.229 -2.814 -6.468 1.00 1.34 C ATOM 202 CG GLU A 12 -28.372 -1.285 -6.440 1.00 1.63 C ATOM 203 CD GLU A 12 -27.578 -0.694 -5.287 1.00 1.81 C ATOM 204 OE1 GLU A 12 -26.352 -0.904 -5.230 1.00 2.05 O ATOM 205 OE2 GLU A 12 -28.180 -0.019 -4.433 1.00 2.09 O ATOM 0 H GLU A 12 -30.685 -1.956 -7.841 1.00 1.16 H new ATOM 0 HA GLU A 12 -29.120 -4.426 -7.590 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -28.115 -3.187 -5.450 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.322 -3.084 -7.009 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -28.022 -0.864 -7.383 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -29.423 -1.015 -6.341 1.00 1.63 H new ATOM 212 N ALA A 13 -31.433 -2.883 -5.858 1.00 1.77 N ATOM 213 CA ALA A 13 -32.513 -3.052 -4.878 1.00 2.14 C ATOM 214 C ALA A 13 -33.871 -2.979 -5.582 1.00 2.15 C ATOM 215 O ALA A 13 -34.002 -2.357 -6.642 1.00 2.54 O ATOM 216 CB ALA A 13 -32.413 -1.970 -3.797 1.00 2.70 C ATOM 0 H ALA A 13 -31.462 -1.993 -6.355 1.00 1.77 H new ATOM 0 HA ALA A 13 -32.416 -4.029 -4.404 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -33.218 -2.103 -3.074 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -31.452 -2.051 -3.289 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -32.498 -0.986 -4.258 1.00 2.70 H new ATOM 222 N HIS A 14 -34.875 -3.624 -4.990 1.00 2.38 N ATOM 223 CA HIS A 14 -36.234 -3.658 -5.543 1.00 2.81 C ATOM 224 C HIS A 14 -36.960 -2.333 -5.290 1.00 2.77 C ATOM 225 O HIS A 14 -37.890 -2.263 -4.485 1.00 3.31 O ATOM 226 CB HIS A 14 -37.028 -4.817 -4.921 1.00 3.51 C ATOM 227 CG HIS A 14 -36.505 -6.169 -5.310 1.00 3.99 C ATOM 228 ND1 HIS A 14 -36.658 -6.705 -6.563 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.821 -7.110 -4.610 1.00 4.33 C ATOM 230 CE1 HIS A 14 -36.112 -7.892 -6.638 1.00 5.34 C ATOM 231 NE2 HIS A 14 -35.586 -8.177 -5.457 1.00 5.13 N ATOM 0 H HIS A 14 -34.773 -4.138 -4.115 1.00 2.38 H new ATOM 0 HA HIS A 14 -36.160 -3.810 -6.620 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -37.004 -4.724 -3.835 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -38.072 -4.738 -5.224 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -35.515 -7.038 -3.577 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -36.094 -8.528 -7.511 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -35.092 -9.036 -5.214 1.00 5.13 H new ATOM 239 N ASN A 15 -36.527 -1.292 -5.998 1.00 2.64 N ATOM 240 CA ASN A 15 -37.118 0.050 -5.894 1.00 2.83 C ATOM 241 C ASN A 15 -37.595 0.468 -7.283 1.00 2.48 C ATOM 242 O ASN A 15 -38.790 0.657 -7.515 1.00 2.96 O ATOM 243 CB ASN A 15 -36.091 1.066 -5.352 1.00 3.64 C ATOM 244 CG ASN A 15 -35.661 0.718 -3.923 1.00 4.19 C ATOM 245 OD1 ASN A 15 -34.664 0.022 -3.715 1.00 4.25 O ATOM 246 ND2 ASN A 15 -36.398 1.202 -2.934 1.00 4.99 N ATOM 0 H ASN A 15 -35.755 -1.350 -6.662 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.955 0.029 -5.196 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -35.217 1.084 -6.003 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -36.523 2.067 -5.370 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -36.147 1.002 -1.966 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -37.217 1.774 -3.141 1.00 4.99 H new ATOM 253 N LYS A 16 -36.639 0.561 -8.209 1.00 2.30 N ATOM 254 CA LYS A 16 -36.892 0.905 -9.613 1.00 2.46 C ATOM 255 C LYS A 16 -35.551 0.980 -10.349 1.00 2.10 C ATOM 256 O LYS A 16 -35.272 0.171 -11.231 1.00 2.44 O ATOM 257 CB LYS A 16 -37.685 2.227 -9.770 1.00 3.26 C ATOM 258 CG LYS A 16 -37.107 3.394 -8.956 1.00 3.87 C ATOM 259 CD LYS A 16 -36.620 4.520 -9.875 1.00 4.83 C ATOM 260 CE LYS A 16 -35.833 5.587 -9.105 1.00 5.52 C ATOM 261 NZ LYS A 16 -36.707 6.706 -8.650 1.00 6.03 N ATOM 0 H LYS A 16 -35.653 0.398 -8.004 1.00 2.30 H new ATOM 0 HA LYS A 16 -37.517 0.126 -10.050 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -37.705 2.505 -10.824 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -38.718 2.059 -9.465 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.867 3.779 -8.276 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -36.280 3.038 -8.342 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -35.991 4.101 -10.660 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -37.476 4.984 -10.366 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -35.351 5.129 -8.241 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -35.040 5.982 -9.740 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -36.136 7.405 -8.134 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -37.147 7.160 -9.475 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -37.449 6.334 -8.023 1.00 6.03 H new ATOM 275 N LYS A 17 -34.718 1.938 -9.942 1.00 1.88 N ATOM 276 CA LYS A 17 -33.378 2.146 -10.502 1.00 1.62 C ATOM 277 C LYS A 17 -32.568 3.000 -9.522 1.00 1.62 C ATOM 278 O LYS A 17 -33.133 3.656 -8.639 1.00 2.06 O ATOM 279 CB LYS A 17 -33.445 2.841 -11.875 1.00 1.84 C ATOM 280 CG LYS A 17 -33.841 1.863 -12.990 1.00 2.30 C ATOM 281 CD LYS A 17 -33.209 2.237 -14.333 1.00 2.75 C ATOM 282 CE LYS A 17 -33.534 3.679 -14.737 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.431 4.611 -14.367 1.00 3.75 N ATOM 0 H LYS A 17 -34.956 2.601 -9.205 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.900 1.177 -10.647 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -34.166 3.657 -11.834 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.476 3.283 -12.106 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.534 0.854 -12.713 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.926 1.849 -13.091 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -32.128 2.112 -14.273 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -33.566 1.555 -15.105 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -33.707 3.727 -15.812 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -34.457 3.995 -14.251 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -32.305 5.317 -15.121 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -32.668 5.094 -13.477 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -31.549 4.074 -14.245 1.00 3.75 H new ATOM 297 N ALA A 18 -31.248 2.981 -9.677 1.00 1.43 N ATOM 298 CA ALA A 18 -30.340 3.740 -8.806 1.00 1.61 C ATOM 299 C ALA A 18 -30.289 5.223 -9.202 1.00 1.86 C ATOM 300 O ALA A 18 -30.689 5.602 -10.305 1.00 2.10 O ATOM 301 CB ALA A 18 -28.937 3.133 -8.882 1.00 1.58 C ATOM 0 H ALA A 18 -30.774 2.444 -10.403 1.00 1.43 H new ATOM 0 HA ALA A 18 -30.717 3.680 -7.785 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -28.262 3.695 -8.236 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.972 2.094 -8.554 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -28.577 3.177 -9.910 1.00 1.58 H new ATOM 307 N SER A 19 -29.784 6.055 -8.292 1.00 2.24 N ATOM 308 CA SER A 19 -29.664 7.507 -8.513 1.00 2.71 C ATOM 309 C SER A 19 -28.585 7.845 -9.558 1.00 2.85 C ATOM 310 O SER A 19 -28.528 8.974 -10.049 1.00 3.33 O ATOM 311 CB SER A 19 -29.328 8.202 -7.188 1.00 3.28 C ATOM 312 OG SER A 19 -30.039 7.607 -6.105 1.00 3.62 O ATOM 0 H SER A 19 -29.445 5.748 -7.380 1.00 2.24 H new ATOM 0 HA SER A 19 -30.620 7.864 -8.895 1.00 2.71 H new ATOM 0 HB2 SER A 19 -28.256 8.139 -7.002 1.00 3.28 H new ATOM 0 HB3 SER A 19 -29.579 9.261 -7.255 1.00 3.28 H new ATOM 0 HG SER A 19 -29.807 8.066 -5.270 1.00 3.62 H new ATOM 318 N SER A 20 -27.729 6.863 -9.873 1.00 2.92 N ATOM 319 CA SER A 20 -26.634 7.019 -10.841 1.00 3.46 C ATOM 320 C SER A 20 -25.539 7.948 -10.299 1.00 3.36 C ATOM 321 O SER A 20 -25.517 8.263 -9.108 1.00 3.74 O ATOM 322 CB SER A 20 -27.160 7.496 -12.195 1.00 4.13 C ATOM 323 OG SER A 20 -28.154 6.603 -12.687 1.00 4.31 O ATOM 0 H SER A 20 -27.777 5.931 -9.460 1.00 2.92 H new ATOM 0 HA SER A 20 -26.180 6.040 -10.993 1.00 3.46 H new ATOM 0 HB2 SER A 20 -27.579 8.497 -12.097 1.00 4.13 H new ATOM 0 HB3 SER A 20 -26.338 7.563 -12.908 1.00 4.13 H new ATOM 0 HG SER A 20 -28.171 5.795 -12.133 1.00 4.31 H new ATOM 329 N ARG A 21 -24.610 8.345 -11.177 1.00 3.28 N ATOM 330 CA ARG A 21 -23.462 9.207 -10.827 1.00 3.37 C ATOM 331 C ARG A 21 -22.350 8.383 -10.162 1.00 2.30 C ATOM 332 O ARG A 21 -21.185 8.787 -10.153 1.00 2.78 O ATOM 333 CB ARG A 21 -23.862 10.375 -9.908 1.00 4.44 C ATOM 334 CG ARG A 21 -25.103 11.114 -10.408 1.00 5.18 C ATOM 335 CD ARG A 21 -25.097 12.566 -9.940 1.00 5.89 C ATOM 336 NE ARG A 21 -26.361 13.216 -10.284 1.00 6.25 N ATOM 337 CZ ARG A 21 -26.563 13.779 -11.473 1.00 6.92 C ATOM 338 NH1 ARG A 21 -25.760 14.754 -11.886 1.00 7.30 N ATOM 339 NH2 ARG A 21 -27.564 13.364 -12.233 1.00 7.43 N ATOM 0 H ARG A 21 -24.629 8.077 -12.161 1.00 3.28 H new ATOM 0 HA ARG A 21 -23.094 9.632 -11.761 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -24.049 9.995 -8.904 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -23.031 11.076 -9.834 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -25.138 11.079 -11.497 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -26.000 10.614 -10.044 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -24.941 12.607 -8.862 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -24.268 13.101 -10.403 1.00 5.89 H new ATOM 0 HE ARG A 21 -27.110 13.239 -9.592 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -24.992 15.068 -11.292 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -25.911 15.188 -12.797 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -28.176 12.616 -11.907 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -27.723 13.792 -13.145 1.00 7.43 H new ATOM 353 N SER A 22 -22.724 7.235 -9.600 1.00 1.32 N ATOM 354 CA SER A 22 -21.790 6.342 -8.920 1.00 0.74 C ATOM 355 C SER A 22 -21.045 5.453 -9.923 1.00 0.68 C ATOM 356 O SER A 22 -21.472 4.333 -10.211 1.00 1.69 O ATOM 357 CB SER A 22 -22.549 5.474 -7.910 1.00 1.62 C ATOM 358 OG SER A 22 -23.331 6.278 -7.030 1.00 1.86 O ATOM 0 H SER A 22 -23.687 6.898 -9.604 1.00 1.32 H new ATOM 0 HA SER A 22 -21.052 6.950 -8.396 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.195 4.774 -8.440 1.00 1.62 H new ATOM 0 HB3 SER A 22 -21.841 4.879 -7.332 1.00 1.62 H new ATOM 0 HG SER A 22 -24.011 5.722 -6.596 1.00 1.86 H new ATOM 364 N TRP A 23 -19.917 5.958 -10.420 1.00 0.69 N ATOM 365 CA TRP A 23 -19.053 5.232 -11.359 1.00 0.41 C ATOM 366 C TRP A 23 -17.774 4.878 -10.595 1.00 0.40 C ATOM 367 O TRP A 23 -16.893 5.725 -10.409 1.00 0.55 O ATOM 368 CB TRP A 23 -18.750 6.107 -12.598 1.00 0.43 C ATOM 369 CG TRP A 23 -19.705 5.867 -13.741 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.695 6.705 -14.184 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.754 4.703 -14.593 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.340 6.111 -15.237 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.795 4.892 -15.515 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.020 3.519 -14.658 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.109 3.938 -16.478 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.324 2.567 -15.615 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.357 2.773 -16.519 1.00 0.31 C ATOM 0 H TRP A 23 -19.572 6.888 -10.183 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.536 4.327 -11.727 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.792 7.158 -12.312 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.733 5.909 -12.935 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -20.929 7.675 -13.771 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.122 6.525 -15.744 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.214 3.345 -13.961 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.917 4.100 -17.176 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.751 1.653 -15.659 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.577 2.020 -17.261 1.00 0.31 H new ATOM 388 N HIS A 24 -17.719 3.645 -10.094 1.00 0.37 N ATOM 389 CA HIS A 24 -16.604 3.162 -9.273 1.00 0.45 C ATOM 390 C HIS A 24 -15.531 2.449 -10.103 1.00 0.36 C ATOM 391 O HIS A 24 -15.807 1.457 -10.774 1.00 0.34 O ATOM 392 CB HIS A 24 -17.170 2.203 -8.203 1.00 0.61 C ATOM 393 CG HIS A 24 -16.319 2.090 -6.969 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.835 1.981 -5.702 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.976 2.072 -6.798 1.00 1.66 C ATOM 396 CE1 HIS A 24 -15.880 1.905 -4.809 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.724 1.960 -5.445 1.00 2.74 N ATOM 0 H HIS A 24 -18.448 2.948 -10.245 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.120 4.021 -8.809 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -18.165 2.543 -7.915 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.286 1.213 -8.643 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -17.831 1.962 -5.484 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.234 2.134 -7.580 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -16.014 1.814 -3.741 1.00 2.98 H new ATOM 405 N ASN A 25 -14.295 2.936 -9.997 1.00 0.37 N ATOM 406 CA ASN A 25 -13.140 2.336 -10.677 1.00 0.35 C ATOM 407 C ASN A 25 -12.636 1.194 -9.780 1.00 0.34 C ATOM 408 O ASN A 25 -12.021 1.442 -8.736 1.00 0.55 O ATOM 409 CB ASN A 25 -12.054 3.422 -10.906 1.00 0.44 C ATOM 410 CG ASN A 25 -10.640 2.838 -11.070 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.815 2.921 -10.159 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.359 2.258 -12.222 1.00 1.49 N ATOM 0 H ASN A 25 -14.063 3.757 -9.438 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.402 1.938 -11.657 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.308 3.999 -11.795 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -12.059 4.115 -10.065 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.433 1.860 -12.380 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.068 2.208 -12.954 1.00 1.49 H new ATOM 419 N VAL A 26 -12.946 -0.046 -10.157 1.00 0.22 N ATOM 420 CA VAL A 26 -12.571 -1.218 -9.357 1.00 0.21 C ATOM 421 C VAL A 26 -11.878 -2.280 -10.216 1.00 0.18 C ATOM 422 O VAL A 26 -12.059 -2.332 -11.434 1.00 0.23 O ATOM 423 CB VAL A 26 -13.840 -1.783 -8.686 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.728 -2.528 -9.693 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.486 -2.675 -7.496 1.00 0.31 C ATOM 0 H VAL A 26 -13.456 -0.268 -11.012 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.856 -0.920 -8.590 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.414 -0.936 -8.309 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.612 -2.912 -9.184 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.033 -1.844 -10.485 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.170 -3.358 -10.126 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.401 -3.058 -7.044 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.872 -3.509 -7.836 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -12.932 -2.094 -6.758 1.00 0.31 H new ATOM 435 N TYR A 27 -11.094 -3.129 -9.559 1.00 0.16 N ATOM 436 CA TYR A 27 -10.363 -4.217 -10.212 1.00 0.16 C ATOM 437 C TYR A 27 -11.166 -5.510 -10.051 1.00 0.19 C ATOM 438 O TYR A 27 -11.290 -6.037 -8.944 1.00 0.34 O ATOM 439 CB TYR A 27 -8.975 -4.344 -9.568 1.00 0.17 C ATOM 440 CG TYR A 27 -7.938 -5.010 -10.454 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.942 -6.387 -10.635 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.969 -4.240 -11.078 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.981 -6.986 -11.438 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.012 -4.838 -11.875 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.020 -6.205 -12.054 1.00 0.29 C ATOM 446 OH TYR A 27 -5.065 -6.790 -12.853 1.00 0.37 O ATOM 0 H TYR A 27 -10.945 -3.084 -8.551 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.232 -4.015 -11.275 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.620 -3.350 -9.296 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.066 -4.914 -8.643 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.694 -6.993 -10.150 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -6.962 -3.169 -10.941 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.984 -8.056 -11.581 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.258 -4.235 -12.358 1.00 0.33 H new ATOM 0 HH TYR A 27 -5.501 -7.246 -13.603 1.00 0.37 H new ATOM 456 N CYS A 28 -11.733 -5.999 -11.151 1.00 0.16 N ATOM 457 CA CYS A 28 -12.555 -7.217 -11.131 1.00 0.19 C ATOM 458 C CYS A 28 -11.713 -8.452 -11.473 1.00 0.19 C ATOM 459 O CYS A 28 -10.859 -8.404 -12.360 1.00 0.23 O ATOM 460 CB CYS A 28 -13.717 -7.074 -12.123 1.00 0.23 C ATOM 461 SG CYS A 28 -14.571 -5.494 -11.968 1.00 0.34 S ATOM 0 H CYS A 28 -11.641 -5.572 -12.073 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.955 -7.350 -10.126 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.337 -7.179 -13.139 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.428 -7.884 -11.963 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.224 -5.462 -10.844 1.00 0.34 H new ATOM 467 N VAL A 29 -11.965 -9.556 -10.760 1.00 0.21 N ATOM 468 CA VAL A 29 -11.250 -10.821 -10.967 1.00 0.24 C ATOM 469 C VAL A 29 -12.242 -11.983 -10.923 1.00 0.26 C ATOM 470 O VAL A 29 -13.025 -12.090 -9.982 1.00 0.38 O ATOM 471 CB VAL A 29 -10.185 -11.007 -9.872 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.465 -12.355 -10.015 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.183 -9.858 -9.892 1.00 0.33 C ATOM 0 H VAL A 29 -12.670 -9.598 -10.024 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.760 -10.800 -11.940 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.696 -11.003 -8.909 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.719 -12.455 -9.226 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.190 -13.165 -9.934 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.974 -12.404 -10.987 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.439 -10.010 -9.110 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.687 -9.824 -10.862 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.705 -8.917 -9.718 1.00 0.33 H new ATOM 483 N ILE A 30 -12.187 -12.858 -11.929 1.00 0.28 N ATOM 484 CA ILE A 30 -13.067 -14.037 -12.003 1.00 0.32 C ATOM 485 C ILE A 30 -12.251 -15.286 -11.663 1.00 0.35 C ATOM 486 O ILE A 30 -11.086 -15.397 -12.056 1.00 0.44 O ATOM 487 CB ILE A 30 -13.685 -14.181 -13.409 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.031 -12.811 -14.008 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.938 -15.058 -13.357 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.719 -12.952 -15.361 1.00 0.57 C ATOM 0 H ILE A 30 -11.538 -12.775 -12.712 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.882 -13.915 -11.290 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.943 -14.657 -14.049 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.681 -12.267 -13.323 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.121 -12.221 -14.121 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.361 -15.148 -14.358 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.674 -16.048 -12.984 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.673 -14.603 -12.693 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.950 -11.963 -15.757 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -14.058 -13.474 -16.053 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.642 -13.520 -15.243 1.00 0.57 H new ATOM 502 N ASN A 31 -12.861 -16.222 -10.938 1.00 0.46 N ATOM 503 CA ASN A 31 -12.185 -17.465 -10.552 1.00 0.58 C ATOM 504 C ASN A 31 -13.152 -18.647 -10.645 1.00 0.71 C ATOM 505 O ASN A 31 -13.298 -19.416 -9.697 1.00 1.20 O ATOM 506 CB ASN A 31 -11.601 -17.339 -9.128 1.00 0.73 C ATOM 507 CG ASN A 31 -10.428 -18.309 -8.936 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.423 -18.227 -9.641 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.550 -19.228 -7.989 1.00 1.47 N ATOM 0 H ASN A 31 -13.822 -16.146 -10.605 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.361 -17.646 -11.242 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.266 -16.316 -8.956 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.377 -17.548 -8.391 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.796 -19.896 -7.826 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.397 -19.267 -7.423 1.00 1.47 H new ATOM 516 N ASN A 32 -13.788 -18.786 -11.816 1.00 0.85 N ATOM 517 CA ASN A 32 -14.742 -19.878 -12.116 1.00 1.00 C ATOM 518 C ASN A 32 -15.987 -19.838 -11.219 1.00 1.00 C ATOM 519 O ASN A 32 -15.905 -20.035 -10.004 1.00 1.97 O ATOM 520 CB ASN A 32 -14.067 -21.259 -11.995 1.00 1.24 C ATOM 521 CG ASN A 32 -13.157 -21.533 -13.194 1.00 1.73 C ATOM 522 OD1 ASN A 32 -13.630 -21.739 -14.313 1.00 2.06 O ATOM 523 ND2 ASN A 32 -11.852 -21.539 -12.965 1.00 2.52 N ATOM 0 H ASN A 32 -13.658 -18.140 -12.594 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.064 -19.721 -13.145 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.485 -21.303 -11.075 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.829 -22.035 -11.928 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -11.201 -21.719 -13.729 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -11.498 -21.364 -12.024 1.00 2.52 H new ATOM 530 N GLN A 33 -17.145 -19.619 -11.845 1.00 0.75 N ATOM 531 CA GLN A 33 -18.452 -19.588 -11.160 1.00 0.67 C ATOM 532 C GLN A 33 -18.672 -18.311 -10.331 1.00 0.56 C ATOM 533 O GLN A 33 -19.829 -17.872 -10.180 1.00 0.71 O ATOM 534 CB GLN A 33 -18.628 -20.831 -10.270 1.00 0.83 C ATOM 535 CG GLN A 33 -20.104 -21.227 -10.149 1.00 1.46 C ATOM 536 CD GLN A 33 -20.270 -22.387 -9.169 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.981 -23.536 -9.502 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.737 -22.096 -7.963 1.00 2.67 N ATOM 0 H GLN A 33 -17.209 -19.456 -12.850 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.208 -19.590 -11.946 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.060 -21.662 -10.687 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.221 -20.631 -9.279 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.689 -20.372 -9.811 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.491 -21.512 -11.127 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.965 -21.131 -7.724 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.868 -22.837 -7.274 1.00 2.67 H new ATOM 547 N GLU A 34 -17.583 -17.731 -9.781 1.00 0.53 N ATOM 548 CA GLU A 34 -17.678 -16.523 -8.959 1.00 0.49 C ATOM 549 C GLU A 34 -16.546 -15.556 -9.295 1.00 0.45 C ATOM 550 O GLU A 34 -15.562 -15.925 -9.949 1.00 0.64 O ATOM 551 CB GLU A 34 -17.630 -16.892 -7.466 1.00 0.61 C ATOM 552 CG GLU A 34 -18.711 -17.924 -7.110 1.00 1.25 C ATOM 553 CD GLU A 34 -19.072 -17.836 -5.635 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.219 -18.168 -4.791 1.00 1.89 O ATOM 555 OE2 GLU A 34 -20.209 -17.434 -5.319 1.00 1.79 O ATOM 0 H GLU A 34 -16.633 -18.085 -9.896 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.628 -16.034 -9.173 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.647 -17.293 -7.220 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.768 -15.995 -6.863 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.599 -17.752 -7.718 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.354 -18.927 -7.343 1.00 1.25 H new ATOM 562 N MET A 35 -16.694 -14.319 -8.835 1.00 0.36 N ATOM 563 CA MET A 35 -15.709 -13.265 -9.055 1.00 0.35 C ATOM 564 C MET A 35 -15.537 -12.439 -7.780 1.00 0.32 C ATOM 565 O MET A 35 -16.358 -12.512 -6.857 1.00 0.42 O ATOM 566 CB MET A 35 -16.144 -12.363 -10.225 1.00 0.41 C ATOM 567 CG MET A 35 -17.551 -11.793 -10.026 1.00 0.43 C ATOM 568 SD MET A 35 -18.029 -10.673 -11.352 1.00 0.60 S ATOM 569 CE MET A 35 -19.473 -9.882 -10.624 1.00 1.25 C ATOM 0 H MET A 35 -17.505 -14.017 -8.296 1.00 0.36 H new ATOM 0 HA MET A 35 -14.753 -13.722 -9.310 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.434 -11.543 -10.332 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.114 -12.935 -11.153 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.268 -12.612 -9.969 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.595 -11.265 -9.074 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.693 -8.960 -11.162 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.329 -10.554 -10.691 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.273 -9.653 -9.577 1.00 1.25 H new ATOM 579 N GLY A 36 -14.466 -11.655 -7.735 1.00 0.27 N ATOM 580 CA GLY A 36 -14.163 -10.806 -6.585 1.00 0.29 C ATOM 581 C GLY A 36 -13.773 -9.403 -7.039 1.00 0.25 C ATOM 582 O GLY A 36 -13.059 -9.237 -8.037 1.00 0.28 O ATOM 0 H GLY A 36 -13.784 -11.589 -8.491 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.031 -10.753 -5.927 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.351 -11.245 -6.006 1.00 0.29 H new ATOM 586 N PHE A 37 -14.237 -8.398 -6.294 1.00 0.24 N ATOM 587 CA PHE A 37 -13.943 -6.991 -6.581 1.00 0.25 C ATOM 588 C PHE A 37 -12.834 -6.509 -5.646 1.00 0.25 C ATOM 589 O PHE A 37 -13.011 -6.482 -4.426 1.00 0.40 O ATOM 590 CB PHE A 37 -15.199 -6.131 -6.385 1.00 0.30 C ATOM 591 CG PHE A 37 -16.292 -6.418 -7.394 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.096 -6.120 -8.733 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.485 -6.993 -6.983 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.090 -6.388 -9.657 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.479 -7.259 -7.910 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.303 -6.924 -9.233 1.00 0.33 C ATOM 0 H PHE A 37 -14.828 -8.536 -5.474 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.618 -6.898 -7.617 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.590 -6.297 -5.381 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.923 -5.079 -6.450 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.165 -5.678 -9.056 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.639 -7.233 -5.941 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.926 -6.182 -10.704 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.397 -7.732 -7.593 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.104 -7.077 -9.941 1.00 0.33 H new ATOM 606 N TYR A 38 -11.692 -6.144 -6.222 1.00 0.20 N ATOM 607 CA TYR A 38 -10.534 -5.674 -5.454 1.00 0.21 C ATOM 608 C TYR A 38 -10.175 -4.240 -5.850 1.00 0.21 C ATOM 609 O TYR A 38 -10.709 -3.697 -6.821 1.00 0.23 O ATOM 610 CB TYR A 38 -9.350 -6.622 -5.682 1.00 0.23 C ATOM 611 CG TYR A 38 -9.694 -8.055 -5.345 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.551 -8.513 -4.050 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.176 -8.906 -6.327 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.879 -9.819 -3.733 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.500 -10.213 -6.011 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.357 -10.662 -4.716 1.00 0.44 C ATOM 617 OH TYR A 38 -10.690 -11.959 -4.400 1.00 0.55 O ATOM 0 H TYR A 38 -11.539 -6.164 -7.230 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.782 -5.672 -4.392 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.033 -6.561 -6.723 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.506 -6.300 -5.073 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.182 -7.849 -3.282 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.299 -8.549 -7.339 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.762 -10.177 -2.721 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.864 -10.881 -6.778 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.011 -12.419 -5.203 1.00 0.55 H new ATOM 627 N LYS A 39 -9.283 -3.619 -5.080 1.00 0.25 N ATOM 628 CA LYS A 39 -8.867 -2.232 -5.333 1.00 0.29 C ATOM 629 C LYS A 39 -7.965 -2.124 -6.569 1.00 0.28 C ATOM 630 O LYS A 39 -8.191 -1.267 -7.421 1.00 0.33 O ATOM 631 CB LYS A 39 -8.153 -1.659 -4.104 1.00 0.36 C ATOM 632 CG LYS A 39 -7.971 -0.141 -4.236 1.00 0.70 C ATOM 633 CD LYS A 39 -7.888 0.550 -2.871 1.00 1.15 C ATOM 634 CE LYS A 39 -6.445 0.905 -2.498 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.839 1.845 -3.481 1.00 2.51 N ATOM 0 H LYS A 39 -8.832 -4.051 -4.274 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.767 -1.649 -5.529 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.729 -1.884 -3.206 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.181 -2.137 -3.987 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.064 0.067 -4.803 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.804 0.276 -4.803 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.493 1.457 -2.886 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.310 -0.103 -2.107 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.425 1.354 -1.505 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.847 -0.005 -2.448 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.124 2.432 -3.005 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.389 1.304 -4.247 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.580 2.457 -3.879 1.00 2.51 H new ATOM 649 N ASP A 40 -6.943 -2.976 -6.657 1.00 0.28 N ATOM 650 CA ASP A 40 -6.004 -2.956 -7.789 1.00 0.32 C ATOM 651 C ASP A 40 -5.462 -4.362 -8.073 1.00 0.33 C ATOM 652 O ASP A 40 -5.972 -5.357 -7.546 1.00 0.32 O ATOM 653 CB ASP A 40 -4.847 -1.969 -7.505 1.00 0.38 C ATOM 654 CG ASP A 40 -3.797 -2.575 -6.566 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.160 -2.988 -5.446 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.605 -2.615 -6.938 1.00 0.94 O ATOM 0 H ASP A 40 -6.741 -3.691 -5.959 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.539 -2.618 -8.676 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.373 -1.685 -8.445 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.248 -1.057 -7.062 1.00 0.38 H new ATOM 661 N ALA A 41 -4.412 -4.427 -8.897 1.00 0.40 N ATOM 662 CA ALA A 41 -3.764 -5.693 -9.260 1.00 0.45 C ATOM 663 C ALA A 41 -3.132 -6.358 -8.033 1.00 0.45 C ATOM 664 O ALA A 41 -3.221 -7.578 -7.861 1.00 0.47 O ATOM 665 CB ALA A 41 -2.696 -5.450 -10.331 1.00 0.55 C ATOM 0 H ALA A 41 -3.988 -3.607 -9.330 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.526 -6.363 -9.658 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.222 -6.396 -10.593 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.161 -5.020 -11.218 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.944 -4.761 -9.945 1.00 0.55 H new ATOM 671 N LYS A 42 -2.508 -5.548 -7.167 1.00 0.46 N ATOM 672 CA LYS A 42 -1.875 -6.050 -5.942 1.00 0.48 C ATOM 673 C LYS A 42 -2.941 -6.616 -5.000 1.00 0.43 C ATOM 674 O LYS A 42 -2.803 -7.730 -4.490 1.00 0.47 O ATOM 675 CB LYS A 42 -1.096 -4.925 -5.243 1.00 0.54 C ATOM 676 CG LYS A 42 0.045 -4.389 -6.115 1.00 0.77 C ATOM 677 CD LYS A 42 1.317 -5.237 -5.982 1.00 1.12 C ATOM 678 CE LYS A 42 1.552 -6.098 -7.228 1.00 1.96 C ATOM 679 NZ LYS A 42 2.353 -7.314 -6.913 1.00 2.76 N ATOM 0 H LYS A 42 -2.429 -4.539 -7.294 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.176 -6.843 -6.207 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.778 -4.111 -4.997 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.690 -5.296 -4.302 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.272 -4.373 -7.158 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.264 -3.359 -5.832 1.00 0.77 H new ATOM 0 HD2 LYS A 42 2.175 -4.584 -5.822 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.237 -5.879 -5.105 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.593 -6.394 -7.652 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.068 -5.508 -7.986 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.492 -7.872 -7.779 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.278 -7.031 -6.531 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.849 -7.889 -6.208 1.00 2.76 H new ATOM 693 N SER A 43 -4.013 -5.844 -4.794 1.00 0.38 N ATOM 694 CA SER A 43 -5.131 -6.251 -3.929 1.00 0.38 C ATOM 695 C SER A 43 -5.806 -7.527 -4.457 1.00 0.39 C ATOM 696 O SER A 43 -6.235 -8.375 -3.673 1.00 0.45 O ATOM 697 CB SER A 43 -6.160 -5.120 -3.836 1.00 0.37 C ATOM 698 OG SER A 43 -5.539 -3.905 -3.431 1.00 1.04 O ATOM 0 H SER A 43 -4.132 -4.924 -5.218 1.00 0.38 H new ATOM 0 HA SER A 43 -4.731 -6.462 -2.937 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.644 -4.982 -4.803 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.941 -5.390 -3.125 1.00 0.37 H new ATOM 0 HG SER A 43 -5.052 -3.518 -4.188 1.00 1.04 H new ATOM 704 N ALA A 44 -5.891 -7.649 -5.787 1.00 0.37 N ATOM 705 CA ALA A 44 -6.506 -8.805 -6.444 1.00 0.43 C ATOM 706 C ALA A 44 -5.742 -10.099 -6.132 1.00 0.51 C ATOM 707 O ALA A 44 -6.336 -11.092 -5.712 1.00 0.59 O ATOM 708 CB ALA A 44 -6.556 -8.575 -7.965 1.00 0.43 C ATOM 0 H ALA A 44 -5.535 -6.948 -6.437 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.520 -8.914 -6.059 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.014 -9.438 -8.449 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.145 -7.683 -8.179 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.544 -8.441 -8.346 1.00 0.43 H new ATOM 714 N ALA A 45 -4.423 -10.078 -6.348 1.00 0.54 N ATOM 715 CA ALA A 45 -3.566 -11.247 -6.106 1.00 0.64 C ATOM 716 C ALA A 45 -3.409 -11.533 -4.605 1.00 0.68 C ATOM 717 O ALA A 45 -3.539 -12.675 -4.168 1.00 0.76 O ATOM 718 CB ALA A 45 -2.190 -11.018 -6.740 1.00 0.69 C ATOM 0 H ALA A 45 -3.921 -9.259 -6.692 1.00 0.54 H new ATOM 0 HA ALA A 45 -4.043 -12.115 -6.562 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.557 -11.887 -6.559 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.304 -10.870 -7.814 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.729 -10.134 -6.299 1.00 0.69 H new ATOM 724 N SER A 46 -3.122 -10.489 -3.821 1.00 0.65 N ATOM 725 CA SER A 46 -2.934 -10.591 -2.390 1.00 0.73 C ATOM 726 C SER A 46 -4.216 -11.032 -1.662 1.00 0.74 C ATOM 727 O SER A 46 -4.151 -11.698 -0.630 1.00 0.84 O ATOM 728 CB SER A 46 -2.487 -9.218 -1.914 1.00 0.75 C ATOM 729 OG SER A 46 -1.314 -8.797 -2.609 1.00 1.21 O ATOM 0 H SER A 46 -3.014 -9.540 -4.178 1.00 0.65 H new ATOM 0 HA SER A 46 -2.190 -11.355 -2.164 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.288 -8.495 -2.072 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.290 -9.246 -0.842 1.00 0.75 H new ATOM 0 HG SER A 46 -1.562 -8.169 -3.319 1.00 1.21 H new ATOM 735 N GLY A 47 -5.376 -10.657 -2.205 1.00 0.70 N ATOM 736 CA GLY A 47 -6.665 -11.011 -1.611 1.00 0.74 C ATOM 737 C GLY A 47 -7.045 -10.033 -0.499 1.00 0.75 C ATOM 738 O GLY A 47 -7.443 -10.443 0.591 1.00 0.88 O ATOM 0 H GLY A 47 -5.448 -10.105 -3.060 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.437 -11.009 -2.381 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.618 -12.023 -1.209 1.00 0.74 H new ATOM 742 N ILE A 48 -6.923 -8.737 -0.785 1.00 0.67 N ATOM 743 CA ILE A 48 -7.257 -7.682 0.178 1.00 0.72 C ATOM 744 C ILE A 48 -8.693 -7.214 -0.081 1.00 0.75 C ATOM 745 O ILE A 48 -9.035 -6.850 -1.207 1.00 0.75 O ATOM 746 CB ILE A 48 -6.244 -6.529 0.049 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.873 -6.980 0.580 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.719 -5.272 0.789 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.739 -6.117 0.032 1.00 0.97 C ATOM 0 H ILE A 48 -6.592 -8.388 -1.684 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.199 -8.058 1.199 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.156 -6.271 -1.006 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.872 -6.933 1.669 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.702 -8.021 0.306 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -5.978 -4.481 0.675 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.670 -4.941 0.371 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.847 -5.499 1.847 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.788 -6.469 0.432 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.723 -6.185 -1.056 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -3.895 -5.080 0.328 1.00 0.97 H new ATOM 761 N PRO A 49 -9.562 -7.248 0.952 1.00 0.84 N ATOM 762 CA PRO A 49 -10.981 -6.859 0.818 1.00 0.93 C ATOM 763 C PRO A 49 -11.201 -5.358 0.579 1.00 0.93 C ATOM 764 O PRO A 49 -10.827 -4.519 1.403 1.00 1.08 O ATOM 765 CB PRO A 49 -11.614 -7.314 2.134 1.00 1.07 C ATOM 766 CG PRO A 49 -10.489 -7.354 3.115 1.00 1.06 C ATOM 767 CD PRO A 49 -9.246 -7.690 2.325 1.00 0.92 C ATOM 0 HA PRO A 49 -11.428 -7.320 -0.063 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.393 -6.623 2.456 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.080 -8.294 2.029 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.380 -6.394 3.621 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.673 -8.102 3.886 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.371 -7.173 2.719 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.028 -8.757 2.360 1.00 0.92 H new ATOM 775 N TYR A 50 -11.840 -5.052 -0.551 1.00 0.87 N ATOM 776 CA TYR A 50 -12.176 -3.685 -0.952 1.00 0.91 C ATOM 777 C TYR A 50 -13.698 -3.557 -0.992 1.00 1.12 C ATOM 778 O TYR A 50 -14.368 -4.257 -1.755 1.00 1.91 O ATOM 779 CB TYR A 50 -11.565 -3.387 -2.328 1.00 0.92 C ATOM 780 CG TYR A 50 -11.708 -1.939 -2.751 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.159 -0.929 -1.978 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.391 -1.619 -3.915 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.292 0.395 -2.365 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.523 -0.293 -4.300 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.973 0.706 -3.524 1.00 1.17 C ATOM 786 OH TYR A 50 -12.106 2.023 -3.908 1.00 1.34 O ATOM 0 H TYR A 50 -12.143 -5.757 -1.223 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.772 -2.965 -0.240 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.507 -3.650 -2.312 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.041 -4.024 -3.074 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.626 -1.174 -1.071 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.820 -2.403 -4.522 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.864 1.181 -1.761 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.055 -0.043 -5.206 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.926 2.129 -4.433 1.00 1.34 H new ATOM 796 N HIS A 51 -14.231 -2.678 -0.145 1.00 1.28 N ATOM 797 CA HIS A 51 -15.677 -2.442 -0.028 1.00 1.53 C ATOM 798 C HIS A 51 -16.355 -3.596 0.726 1.00 1.61 C ATOM 799 O HIS A 51 -15.687 -4.483 1.269 1.00 2.07 O ATOM 800 CB HIS A 51 -16.327 -2.230 -1.417 1.00 2.01 C ATOM 801 CG HIS A 51 -17.121 -0.959 -1.501 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.497 -0.911 -1.544 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.726 0.335 -1.541 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.922 0.328 -1.607 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.863 1.124 -1.610 1.00 3.74 N ATOM 0 H HIS A 51 -13.672 -2.104 0.485 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.822 -1.527 0.546 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.548 -2.217 -2.179 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.978 -3.075 -1.641 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.105 -1.730 -1.529 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -15.706 0.690 -1.522 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.954 0.644 -1.649 1.00 3.87 H new ATOM 813 N SER A 52 -17.684 -3.570 0.765 1.00 1.60 N ATOM 814 CA SER A 52 -18.475 -4.599 1.453 1.00 1.96 C ATOM 815 C SER A 52 -18.746 -5.790 0.524 1.00 1.85 C ATOM 816 O SER A 52 -18.582 -6.952 0.911 1.00 2.45 O ATOM 817 CB SER A 52 -19.808 -3.994 1.938 1.00 2.44 C ATOM 818 OG SER A 52 -20.143 -2.804 1.214 1.00 2.65 O ATOM 0 H SER A 52 -18.246 -2.841 0.325 1.00 1.60 H new ATOM 0 HA SER A 52 -17.907 -4.957 2.311 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.605 -4.728 1.821 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.739 -3.766 3.002 1.00 2.44 H new ATOM 0 HG SER A 52 -20.219 -3.012 0.259 1.00 2.65 H new ATOM 824 N GLU A 53 -19.185 -5.481 -0.695 1.00 1.45 N ATOM 825 CA GLU A 53 -19.525 -6.482 -1.709 1.00 1.37 C ATOM 826 C GLU A 53 -18.273 -7.002 -2.436 1.00 1.08 C ATOM 827 O GLU A 53 -18.129 -6.817 -3.645 1.00 1.24 O ATOM 828 CB GLU A 53 -20.509 -5.849 -2.708 1.00 1.73 C ATOM 829 CG GLU A 53 -19.925 -4.597 -3.398 1.00 2.39 C ATOM 830 CD GLU A 53 -20.388 -3.310 -2.726 1.00 2.88 C ATOM 831 OE1 GLU A 53 -20.109 -3.120 -1.520 1.00 3.23 O ATOM 832 OE2 GLU A 53 -21.002 -2.471 -3.411 1.00 3.46 O ATOM 0 H GLU A 53 -19.316 -4.520 -1.011 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.986 -7.341 -1.221 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.778 -6.586 -3.465 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.427 -5.578 -2.187 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -18.836 -4.646 -3.378 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -20.224 -4.587 -4.446 1.00 2.39 H new ATOM 839 N VAL A 54 -17.369 -7.646 -1.697 1.00 0.84 N ATOM 840 CA VAL A 54 -16.129 -8.175 -2.284 1.00 0.66 C ATOM 841 C VAL A 54 -16.394 -9.447 -3.106 1.00 0.55 C ATOM 842 O VAL A 54 -15.988 -9.518 -4.265 1.00 0.49 O ATOM 843 CB VAL A 54 -15.056 -8.436 -1.201 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.652 -8.209 -1.769 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.276 -7.546 0.027 1.00 1.34 C ATOM 0 H VAL A 54 -17.467 -7.815 -0.696 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.743 -7.413 -2.961 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.148 -9.476 -0.888 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.911 -8.397 -0.993 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.483 -8.888 -2.604 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.562 -7.179 -2.115 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.506 -7.754 0.770 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.222 -6.498 -0.269 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.257 -7.752 0.455 1.00 1.34 H new ATOM 855 N PRO A 55 -17.076 -10.470 -2.535 1.00 0.62 N ATOM 856 CA PRO A 55 -17.374 -11.724 -3.242 1.00 0.59 C ATOM 857 C PRO A 55 -18.747 -11.695 -3.932 1.00 0.58 C ATOM 858 O PRO A 55 -19.756 -11.369 -3.303 1.00 0.83 O ATOM 859 CB PRO A 55 -17.353 -12.759 -2.116 1.00 0.76 C ATOM 860 CG PRO A 55 -17.668 -12.003 -0.851 1.00 0.87 C ATOM 861 CD PRO A 55 -17.618 -10.518 -1.167 1.00 0.83 C ATOM 0 HA PRO A 55 -16.666 -11.928 -4.045 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.087 -13.544 -2.294 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.379 -13.243 -2.049 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.654 -12.280 -0.477 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.949 -12.251 -0.070 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.607 -10.063 -1.112 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.981 -9.980 -0.465 1.00 0.83 H new ATOM 869 N VAL A 56 -18.782 -12.041 -5.221 1.00 0.41 N ATOM 870 CA VAL A 56 -20.029 -12.066 -5.995 1.00 0.43 C ATOM 871 C VAL A 56 -20.012 -13.255 -6.962 1.00 0.42 C ATOM 872 O VAL A 56 -18.981 -13.563 -7.566 1.00 0.43 O ATOM 873 CB VAL A 56 -20.200 -10.741 -6.763 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.408 -10.793 -7.698 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.350 -9.560 -5.793 1.00 0.63 C ATOM 0 H VAL A 56 -17.956 -12.310 -5.755 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.874 -12.180 -5.316 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.301 -10.597 -7.363 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.501 -9.843 -8.225 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.274 -11.598 -8.421 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.311 -10.975 -7.116 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.469 -8.637 -6.360 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.226 -9.715 -5.164 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.461 -9.489 -5.166 1.00 0.63 H new ATOM 885 N SER A 57 -21.155 -13.924 -7.095 1.00 0.47 N ATOM 886 CA SER A 57 -21.301 -15.082 -7.967 1.00 0.48 C ATOM 887 C SER A 57 -21.545 -14.657 -9.423 1.00 0.46 C ATOM 888 O SER A 57 -22.175 -13.630 -9.688 1.00 0.59 O ATOM 889 CB SER A 57 -22.458 -15.928 -7.452 1.00 0.61 C ATOM 890 OG SER A 57 -22.368 -16.101 -6.036 1.00 0.91 O ATOM 0 H SER A 57 -22.010 -13.675 -6.597 1.00 0.47 H new ATOM 0 HA SER A 57 -20.379 -15.663 -7.954 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.405 -15.451 -7.705 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.450 -16.901 -7.943 1.00 0.61 H new ATOM 0 HG SER A 57 -21.502 -16.501 -5.810 1.00 0.91 H new ATOM 896 N LEU A 58 -21.036 -15.464 -10.355 1.00 0.44 N ATOM 897 CA LEU A 58 -21.168 -15.218 -11.794 1.00 0.49 C ATOM 898 C LEU A 58 -21.473 -16.537 -12.515 1.00 0.60 C ATOM 899 O LEU A 58 -20.817 -16.891 -13.496 1.00 0.89 O ATOM 900 CB LEU A 58 -19.865 -14.602 -12.324 1.00 0.67 C ATOM 901 CG LEU A 58 -20.097 -13.788 -13.599 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.793 -12.470 -13.272 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.779 -13.531 -14.329 1.00 0.86 C ATOM 0 H LEU A 58 -20.517 -16.313 -10.132 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.988 -14.524 -11.978 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.429 -13.961 -11.558 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.144 -15.394 -12.525 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.743 -14.367 -14.259 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.950 -11.904 -14.190 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.755 -12.673 -12.802 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -20.172 -11.890 -12.590 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.970 -12.951 -15.232 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.104 -12.976 -13.677 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.321 -14.483 -14.599 1.00 0.86 H new ATOM 915 N LYS A 59 -22.467 -17.267 -12.013 1.00 0.70 N ATOM 916 CA LYS A 59 -22.865 -18.553 -12.585 1.00 0.90 C ATOM 917 C LYS A 59 -23.955 -18.354 -13.645 1.00 0.87 C ATOM 918 O LYS A 59 -25.137 -18.257 -13.317 1.00 0.95 O ATOM 919 CB LYS A 59 -23.359 -19.473 -11.459 1.00 1.13 C ATOM 920 CG LYS A 59 -23.289 -20.948 -11.864 1.00 1.41 C ATOM 921 CD LYS A 59 -23.462 -21.872 -10.651 1.00 1.78 C ATOM 922 CE LYS A 59 -24.937 -22.199 -10.407 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.296 -23.543 -10.938 1.00 2.83 N ATOM 0 H LYS A 59 -23.018 -16.986 -11.202 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.007 -19.015 -13.073 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.756 -19.312 -10.566 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.386 -19.214 -11.201 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.065 -21.162 -12.599 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -22.331 -21.150 -12.343 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.904 -22.795 -10.812 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.042 -21.396 -9.765 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.146 -22.162 -9.338 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.561 -21.441 -10.881 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.302 -23.731 -10.755 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.119 -23.570 -11.963 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.717 -24.268 -10.468 1.00 2.83 H new ATOM 937 N GLU A 60 -23.535 -18.282 -14.911 1.00 0.89 N ATOM 938 CA GLU A 60 -24.440 -18.082 -16.058 1.00 0.93 C ATOM 939 C GLU A 60 -25.086 -16.692 -16.016 1.00 0.71 C ATOM 940 O GLU A 60 -26.314 -16.561 -15.975 1.00 0.82 O ATOM 941 CB GLU A 60 -25.517 -19.178 -16.113 1.00 1.20 C ATOM 942 CG GLU A 60 -24.904 -20.580 -16.069 1.00 1.43 C ATOM 943 CD GLU A 60 -25.865 -21.583 -16.687 1.00 1.80 C ATOM 944 OE1 GLU A 60 -26.766 -22.065 -15.974 1.00 2.33 O ATOM 945 OE2 GLU A 60 -25.739 -21.871 -17.892 1.00 2.04 O ATOM 0 H GLU A 60 -22.553 -18.361 -15.176 1.00 0.89 H new ATOM 0 HA GLU A 60 -23.841 -18.151 -16.966 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.204 -19.055 -15.276 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.103 -19.066 -17.025 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -23.957 -20.590 -16.609 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.686 -20.859 -15.038 1.00 1.43 H new ATOM 952 N ALA A 61 -24.244 -15.662 -16.034 1.00 0.51 N ATOM 953 CA ALA A 61 -24.693 -14.267 -16.006 1.00 0.35 C ATOM 954 C ALA A 61 -24.954 -13.770 -17.431 1.00 0.35 C ATOM 955 O ALA A 61 -24.251 -14.150 -18.375 1.00 0.43 O ATOM 956 CB ALA A 61 -23.636 -13.394 -15.328 1.00 0.31 C ATOM 0 H ALA A 61 -23.230 -15.768 -16.068 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.621 -14.204 -15.438 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.976 -12.359 -15.311 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.478 -13.741 -14.307 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.700 -13.459 -15.883 1.00 0.31 H new ATOM 962 N ILE A 62 -25.964 -12.917 -17.580 1.00 0.34 N ATOM 963 CA ILE A 62 -26.331 -12.358 -18.883 1.00 0.37 C ATOM 964 C ILE A 62 -25.628 -11.010 -19.087 1.00 0.31 C ATOM 965 O ILE A 62 -25.645 -10.154 -18.202 1.00 0.31 O ATOM 966 CB ILE A 62 -27.855 -12.189 -18.986 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.590 -13.461 -18.529 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.260 -11.830 -20.417 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.179 -14.685 -19.347 1.00 1.27 C ATOM 0 H ILE A 62 -26.549 -12.594 -16.809 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.010 -13.046 -19.665 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.144 -11.374 -18.323 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.380 -13.642 -17.475 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.666 -13.310 -18.618 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.343 -11.714 -20.471 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.780 -10.895 -20.707 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.946 -12.624 -21.094 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -28.722 -15.560 -18.990 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.414 -14.516 -20.398 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.108 -14.853 -19.237 1.00 1.27 H new ATOM 981 N CYS A 63 -25.010 -10.836 -20.255 1.00 0.34 N ATOM 982 CA CYS A 63 -24.285 -9.605 -20.590 1.00 0.33 C ATOM 983 C CYS A 63 -24.839 -8.997 -21.883 1.00 0.34 C ATOM 984 O CYS A 63 -24.996 -9.692 -22.889 1.00 0.52 O ATOM 985 CB CYS A 63 -22.780 -9.911 -20.735 1.00 0.37 C ATOM 986 SG CYS A 63 -21.746 -8.877 -19.685 1.00 0.53 S ATOM 0 H CYS A 63 -24.996 -11.539 -20.994 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.421 -8.880 -19.787 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.603 -10.958 -20.491 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.485 -9.772 -21.775 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.434 -7.787 -20.321 1.00 0.53 H new ATOM 992 N GLU A 64 -25.120 -7.692 -21.843 1.00 0.26 N ATOM 993 CA GLU A 64 -25.646 -6.951 -22.996 1.00 0.29 C ATOM 994 C GLU A 64 -24.723 -5.766 -23.293 1.00 0.24 C ATOM 995 O GLU A 64 -24.189 -5.145 -22.374 1.00 0.36 O ATOM 996 CB GLU A 64 -27.063 -6.452 -22.692 1.00 0.33 C ATOM 997 CG GLU A 64 -28.093 -7.592 -22.748 1.00 0.81 C ATOM 998 CD GLU A 64 -28.919 -7.517 -24.028 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.654 -6.530 -24.215 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -28.833 -8.449 -24.849 1.00 1.83 O ATOM 0 H GLU A 64 -24.990 -7.117 -21.010 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.686 -7.606 -23.866 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.083 -5.992 -21.704 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.338 -5.678 -23.409 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.581 -8.553 -22.697 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.752 -7.535 -21.881 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.531 -5.467 -24.574 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.653 -4.370 -25.006 1.00 0.32 C ATOM 1009 C VAL A 65 -24.397 -3.026 -25.031 1.00 0.31 C ATOM 1010 O VAL A 65 -25.535 -2.939 -25.504 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.087 -4.686 -26.401 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.934 -3.744 -26.747 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.611 -6.138 -26.485 1.00 0.39 C ATOM 0 H VAL A 65 -24.974 -5.971 -25.342 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.838 -4.282 -24.287 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.891 -4.539 -27.122 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.550 -3.987 -27.738 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.291 -2.714 -26.739 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.138 -3.858 -26.012 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.216 -6.334 -27.482 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.829 -6.308 -25.745 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.449 -6.807 -26.289 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.728 -1.981 -24.535 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.269 -0.616 -24.495 1.00 0.31 C ATOM 1025 C ALA A 66 -23.240 0.345 -25.099 1.00 0.34 C ATOM 1026 O ALA A 66 -22.365 0.869 -24.404 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.595 -0.216 -23.050 1.00 0.36 C ATOM 0 H ALA A 66 -22.788 -2.058 -24.146 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.191 -0.570 -25.075 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.995 0.798 -23.035 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.334 -0.904 -22.640 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.688 -0.257 -22.448 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.340 0.553 -26.407 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.417 1.428 -27.131 1.00 0.71 C ATOM 1035 C LEU A 67 -22.758 2.910 -26.914 1.00 0.89 C ATOM 1036 O LEU A 67 -21.859 3.736 -26.738 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.454 1.090 -28.630 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.052 1.108 -29.253 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.080 0.512 -30.658 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.486 2.526 -29.296 1.00 1.39 C ATOM 0 H LEU A 67 -24.056 0.125 -26.994 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.413 1.260 -26.742 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.901 0.106 -28.770 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.091 1.806 -29.148 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.402 0.499 -28.625 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.076 0.534 -31.083 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -21.431 -0.519 -30.609 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.753 1.095 -31.287 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.492 2.508 -29.742 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.140 3.161 -29.893 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.421 2.923 -28.283 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.052 3.245 -26.946 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.507 4.633 -26.780 1.00 1.14 C ATOM 1054 C ASP A 68 -25.160 4.848 -25.411 1.00 0.87 C ATOM 1055 O ASP A 68 -26.385 4.956 -25.309 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.496 4.986 -27.908 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.887 6.468 -27.879 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.028 7.318 -27.580 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.064 6.782 -28.161 1.00 2.62 O ATOM 0 H ASP A 68 -24.806 2.573 -27.086 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.639 5.290 -26.836 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.048 4.747 -28.872 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.391 4.372 -27.812 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.335 4.930 -24.365 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.820 5.163 -23.004 1.00 0.69 C ATOM 1066 C TYR A 69 -24.028 6.297 -22.349 1.00 0.97 C ATOM 1067 O TYR A 69 -23.027 6.059 -21.670 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.714 3.891 -22.156 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.488 4.022 -20.857 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.873 3.973 -20.863 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.815 4.235 -19.665 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.581 4.140 -19.683 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.526 4.394 -18.484 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.903 4.348 -18.499 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.608 4.526 -17.330 1.00 0.97 O ATOM 0 H TYR A 69 -23.322 4.838 -24.436 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.871 5.447 -23.063 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.094 3.042 -22.723 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.666 3.685 -21.937 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.402 3.804 -21.789 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.736 4.277 -19.655 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.660 4.107 -19.690 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -25.001 4.554 -17.554 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.565 3.707 -16.794 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.494 7.533 -22.554 1.00 1.40 N ATOM 1086 CA LYS A 70 -23.864 8.739 -21.990 1.00 1.81 C ATOM 1087 C LYS A 70 -22.396 8.872 -22.427 1.00 1.82 C ATOM 1088 O LYS A 70 -21.495 8.945 -21.588 1.00 2.53 O ATOM 1089 CB LYS A 70 -23.976 8.734 -20.457 1.00 2.43 C ATOM 1090 CG LYS A 70 -25.427 8.533 -20.005 1.00 2.98 C ATOM 1091 CD LYS A 70 -25.663 9.086 -18.604 1.00 3.79 C ATOM 1092 CE LYS A 70 -25.929 10.598 -18.624 1.00 4.45 C ATOM 1093 NZ LYS A 70 -25.915 11.172 -17.248 1.00 4.84 N ATOM 0 H LYS A 70 -25.321 7.730 -23.117 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.399 9.605 -22.379 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.352 7.940 -20.047 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -23.596 9.675 -20.059 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.099 9.025 -20.708 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.670 7.471 -20.023 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -26.511 8.574 -18.149 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -24.794 8.878 -17.980 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -25.174 11.094 -19.234 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -26.894 10.793 -19.091 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -26.098 12.195 -17.297 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -26.652 10.715 -16.674 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -24.985 11.007 -16.812 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.177 8.912 -23.744 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.838 9.045 -24.336 1.00 2.22 C ATOM 1109 C LYS A 71 -19.959 7.830 -23.990 1.00 2.19 C ATOM 1110 O LYS A 71 -20.317 6.695 -24.318 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.182 10.366 -23.888 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.047 11.576 -24.247 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.485 12.864 -23.635 1.00 4.44 C ATOM 1114 CE LYS A 71 -21.123 14.112 -24.251 1.00 5.27 C ATOM 1115 NZ LYS A 71 -22.606 13.998 -24.304 1.00 5.62 N ATOM 0 H LYS A 71 -22.925 8.853 -24.435 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.939 9.072 -25.421 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.016 10.343 -22.811 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.204 10.465 -24.359 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -21.100 11.679 -25.331 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.065 11.416 -23.892 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.658 12.861 -22.559 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -19.406 12.896 -23.784 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -20.845 14.990 -23.667 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -20.733 14.262 -25.258 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -23.018 14.925 -24.533 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -22.875 13.310 -25.036 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -22.963 13.679 -23.381 1.00 5.62 H new ATOM 1129 N LYS A 72 -18.816 8.074 -23.334 1.00 2.22 N ATOM 1130 CA LYS A 72 -17.871 7.010 -22.933 1.00 2.54 C ATOM 1131 C LYS A 72 -17.296 6.272 -24.148 1.00 1.92 C ATOM 1132 O LYS A 72 -17.482 6.690 -25.298 1.00 2.45 O ATOM 1133 CB LYS A 72 -18.564 6.024 -21.979 1.00 3.71 C ATOM 1134 CG LYS A 72 -19.266 6.744 -20.820 1.00 4.59 C ATOM 1135 CD LYS A 72 -18.938 6.105 -19.467 1.00 5.67 C ATOM 1136 CE LYS A 72 -18.945 7.147 -18.345 1.00 6.56 C ATOM 1137 NZ LYS A 72 -17.755 8.039 -18.428 1.00 7.03 N ATOM 0 H LYS A 72 -18.516 9.011 -23.065 1.00 2.22 H new ATOM 0 HA LYS A 72 -17.035 7.481 -22.415 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.293 5.434 -22.534 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -17.827 5.327 -21.580 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -18.966 7.792 -20.809 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -20.344 6.723 -20.979 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -19.665 5.324 -19.245 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -17.960 5.626 -19.516 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -19.855 7.744 -18.406 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -18.958 6.644 -17.378 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -17.627 8.533 -17.522 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -16.909 7.471 -18.635 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -17.897 8.737 -19.186 1.00 7.03 H new ATOM 1151 N LYS A 73 -16.592 5.174 -23.884 1.00 1.52 N ATOM 1152 CA LYS A 73 -15.985 4.362 -24.941 1.00 1.35 C ATOM 1153 C LYS A 73 -16.914 3.194 -25.284 1.00 1.05 C ATOM 1154 O LYS A 73 -17.629 3.236 -26.286 1.00 1.79 O ATOM 1155 CB LYS A 73 -14.603 3.850 -24.493 1.00 1.94 C ATOM 1156 CG LYS A 73 -13.710 4.986 -23.983 1.00 2.32 C ATOM 1157 CD LYS A 73 -12.293 4.493 -23.666 1.00 2.93 C ATOM 1158 CE LYS A 73 -11.419 4.379 -24.923 1.00 3.52 C ATOM 1159 NZ LYS A 73 -11.365 5.658 -25.685 1.00 3.96 N ATOM 0 H LYS A 73 -16.426 4.823 -22.941 1.00 1.52 H new ATOM 0 HA LYS A 73 -15.845 4.973 -25.832 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -14.729 3.106 -23.706 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.113 3.350 -25.328 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -13.662 5.776 -24.733 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -14.152 5.423 -23.088 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -11.822 5.177 -22.960 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.350 3.521 -23.177 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -10.409 4.085 -24.637 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -11.810 3.591 -25.566 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -10.505 5.678 -26.270 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -12.202 5.733 -26.298 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.350 6.458 -25.020 1.00 3.96 H new ATOM 1173 N HIS A 74 -16.910 2.164 -24.437 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.754 0.978 -24.630 1.00 0.38 C ATOM 1175 C HIS A 74 -18.261 0.494 -23.270 1.00 0.30 C ATOM 1176 O HIS A 74 -17.462 0.131 -22.398 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.943 -0.143 -25.318 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.101 -0.187 -26.814 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -17.432 0.902 -27.575 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.973 -1.205 -27.701 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -17.509 0.588 -28.843 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -17.233 -0.700 -28.961 1.00 1.53 N ATOM 0 H HIS A 74 -16.326 2.125 -23.602 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.602 1.236 -25.265 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.888 -0.012 -25.079 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.247 -1.104 -24.903 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -17.597 1.837 -27.202 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -16.714 -2.227 -27.465 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -17.755 1.262 -29.651 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.585 0.488 -23.095 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.213 0.050 -21.845 1.00 0.23 C ATOM 1192 C VAL A 75 -20.990 -1.249 -22.091 1.00 0.22 C ATOM 1193 O VAL A 75 -21.453 -1.505 -23.203 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.180 1.144 -21.320 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.789 0.744 -19.970 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.490 2.511 -21.198 1.00 0.31 C ATOM 0 H VAL A 75 -20.249 0.785 -23.811 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.437 -0.123 -21.099 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.980 1.234 -22.055 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.462 1.530 -19.627 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.345 -0.186 -20.083 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.993 0.604 -19.239 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.203 3.247 -20.827 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.653 2.435 -20.504 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.123 2.822 -22.176 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.161 -2.049 -21.046 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.921 -3.291 -21.140 1.00 0.23 C ATOM 1208 C PHE A 76 -22.652 -3.533 -19.825 1.00 0.22 C ATOM 1209 O PHE A 76 -22.111 -3.298 -18.742 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.036 -4.487 -21.533 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.015 -4.920 -20.500 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.367 -5.840 -19.524 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.719 -4.431 -20.550 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.430 -6.264 -18.599 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.778 -4.860 -19.629 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.132 -5.774 -18.651 1.00 0.29 C ATOM 0 H PHE A 76 -20.782 -1.859 -20.118 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.655 -3.190 -21.940 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.683 -5.336 -21.755 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.510 -4.238 -22.454 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.375 -6.226 -19.486 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.442 -3.714 -21.309 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.708 -6.976 -17.836 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.767 -4.481 -19.674 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.400 -6.105 -17.930 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.893 -3.989 -19.930 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.733 -4.258 -18.763 1.00 0.28 C ATOM 1228 C LYS A 77 -24.633 -5.729 -18.392 1.00 0.31 C ATOM 1229 O LYS A 77 -25.029 -6.605 -19.168 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.197 -3.899 -19.042 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.333 -2.643 -19.908 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.799 -2.301 -20.166 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.478 -3.364 -21.047 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.235 -4.375 -20.248 1.00 1.95 N ATOM 0 H LYS A 77 -24.348 -4.183 -20.822 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.379 -3.641 -17.937 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.685 -4.736 -19.541 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.717 -3.744 -18.097 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.843 -1.804 -19.414 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -25.821 -2.797 -20.858 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.328 -2.222 -19.216 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.867 -1.327 -20.651 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.158 -2.873 -21.743 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -27.722 -3.872 -21.645 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.178 -5.301 -20.717 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.823 -4.444 -19.295 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.231 -4.085 -20.175 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.108 -5.990 -17.209 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.942 -7.348 -16.701 1.00 0.24 C ATOM 1250 C LEU A 78 -25.048 -7.658 -15.688 1.00 0.29 C ATOM 1251 O LEU A 78 -25.035 -7.156 -14.560 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.553 -7.477 -16.067 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.297 -8.859 -15.480 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.846 -9.969 -16.380 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.808 -9.068 -15.220 1.00 0.86 C ATOM 0 H LEU A 78 -23.782 -5.267 -16.568 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.021 -8.069 -17.515 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.794 -7.261 -16.819 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.446 -6.729 -15.282 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.828 -8.913 -14.530 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.643 -10.939 -15.926 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.922 -9.842 -16.499 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.364 -9.917 -17.356 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.648 -10.061 -14.801 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.259 -8.977 -16.157 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.452 -8.316 -14.516 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.995 -8.494 -16.111 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.127 -8.913 -15.281 1.00 0.40 C ATOM 1269 C ARG A 79 -26.769 -10.215 -14.567 1.00 0.45 C ATOM 1270 O ARG A 79 -26.729 -11.288 -15.181 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.380 -9.093 -16.155 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.655 -9.197 -15.311 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.580 -10.309 -15.815 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.000 -11.626 -15.540 1.00 1.91 N ATOM 1275 CZ ARG A 79 -30.670 -12.571 -14.883 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -30.591 -12.629 -13.566 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -31.437 -13.424 -15.546 1.00 2.93 N ATOM 0 H ARG A 79 -26.000 -8.903 -17.045 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.342 -8.149 -14.534 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.467 -8.252 -16.842 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.273 -9.991 -16.763 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.389 -9.389 -14.272 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.185 -8.245 -15.334 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.554 -10.226 -15.332 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.745 -10.195 -16.886 1.00 1.51 H new ATOM 0 HE ARG A 79 -29.053 -11.825 -15.862 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -30.020 -11.953 -13.059 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -31.101 -13.350 -13.056 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -31.515 -13.357 -16.561 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -31.950 -14.147 -15.042 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.494 -10.104 -13.272 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.114 -11.246 -12.442 1.00 0.68 C ATOM 1293 C LEU A 80 -27.285 -12.204 -12.239 1.00 0.84 C ATOM 1294 O LEU A 80 -28.432 -11.775 -12.069 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.633 -10.754 -11.070 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.274 -10.048 -11.152 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.699 -9.839 -9.757 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.284 -10.832 -12.011 1.00 1.26 C ATOM 0 H LEU A 80 -26.528 -9.219 -12.766 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.314 -11.778 -12.957 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.371 -10.070 -10.652 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.560 -11.601 -10.387 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.436 -9.079 -11.623 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.734 -9.337 -9.832 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.382 -9.226 -9.170 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.568 -10.805 -9.269 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.333 -10.301 -12.046 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.132 -11.821 -11.580 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.680 -10.934 -13.021 1.00 1.26 H new ATOM 1310 N SER A 81 -26.972 -13.501 -12.215 1.00 1.01 N ATOM 1311 CA SER A 81 -27.956 -14.563 -11.993 1.00 1.23 C ATOM 1312 C SER A 81 -28.270 -14.655 -10.489 1.00 1.40 C ATOM 1313 O SER A 81 -28.211 -15.724 -9.875 1.00 1.92 O ATOM 1314 CB SER A 81 -27.401 -15.894 -12.534 1.00 1.52 C ATOM 1315 OG SER A 81 -25.976 -15.932 -12.447 1.00 2.18 O ATOM 0 H SER A 81 -26.022 -13.847 -12.350 1.00 1.01 H new ATOM 0 HA SER A 81 -28.882 -14.341 -12.523 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.825 -16.724 -11.969 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.708 -16.024 -13.572 1.00 1.52 H new ATOM 0 HG SER A 81 -25.653 -16.805 -12.754 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.579 -13.499 -9.914 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.894 -13.362 -8.492 1.00 1.76 C ATOM 1323 C ASP A 82 -29.982 -12.303 -8.336 1.00 1.31 C ATOM 1324 O ASP A 82 -31.070 -12.584 -7.834 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.626 -12.963 -7.711 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.744 -13.329 -6.234 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.674 -12.842 -5.562 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -26.895 -14.101 -5.740 1.00 3.77 O ATOM 0 H ASP A 82 -28.619 -12.618 -10.426 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.253 -14.310 -8.091 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.759 -13.462 -8.143 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.459 -11.890 -7.809 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.682 -11.085 -8.791 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.631 -9.970 -8.723 1.00 1.53 C ATOM 1335 C GLY A 83 -29.898 -8.635 -8.638 1.00 1.31 C ATOM 1336 O GLY A 83 -30.183 -7.824 -7.730 1.00 1.88 O ATOM 0 H GLY A 83 -28.785 -10.844 -9.213 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.274 -9.981 -9.603 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.278 -10.090 -7.854 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.964 -8.403 -9.588 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.182 -7.162 -9.645 1.00 0.71 C ATOM 1342 C ASN A 84 -27.782 -6.909 -11.092 1.00 0.62 C ATOM 1343 O ASN A 84 -27.506 -7.861 -11.829 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.901 -7.258 -8.786 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.208 -7.382 -7.290 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.329 -8.489 -6.766 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.306 -6.255 -6.594 1.00 1.32 N ATOM 0 H ASN A 84 -28.738 -9.068 -10.327 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.795 -6.349 -9.255 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.316 -8.120 -9.107 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.286 -6.374 -8.956 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.487 -6.289 -5.591 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.200 -5.355 -7.063 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.732 -5.636 -11.485 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.341 -5.231 -12.842 1.00 0.55 C ATOM 1356 C GLU A 85 -26.319 -4.099 -12.738 1.00 0.47 C ATOM 1357 O GLU A 85 -26.626 -3.026 -12.204 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.567 -4.772 -13.643 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.375 -5.965 -14.154 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.682 -5.498 -14.780 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.638 -4.656 -15.699 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.756 -5.965 -14.353 1.00 1.39 O ATOM 0 H GLU A 85 -27.961 -4.853 -10.873 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.900 -6.080 -13.364 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.199 -4.144 -13.016 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.245 -4.160 -14.486 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.791 -6.519 -14.889 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.583 -6.649 -13.331 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.100 -4.347 -13.223 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.018 -3.356 -13.157 1.00 0.31 C ATOM 1371 C TYR A 86 -23.482 -2.993 -14.543 1.00 0.29 C ATOM 1372 O TYR A 86 -23.051 -3.864 -15.304 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.848 -3.895 -12.323 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.221 -4.314 -10.917 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.388 -3.358 -9.929 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.380 -5.657 -10.609 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.713 -3.744 -8.638 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.706 -6.038 -9.320 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.871 -5.082 -8.341 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.190 -5.465 -7.060 1.00 0.77 O ATOM 0 H TYR A 86 -24.835 -5.226 -13.667 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.443 -2.464 -12.696 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.413 -4.750 -12.840 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.075 -3.129 -12.267 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.265 -2.311 -10.165 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.249 -6.406 -11.376 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.842 -2.999 -7.867 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.831 -7.084 -9.081 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.266 -6.441 -7.020 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.473 -1.694 -14.837 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.948 -1.150 -16.068 1.00 0.23 C ATOM 1392 C LEU A 87 -21.431 -1.120 -15.983 1.00 0.22 C ATOM 1393 O LEU A 87 -20.860 -0.327 -15.230 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.492 0.262 -16.245 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.746 0.227 -17.064 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.808 -0.612 -16.385 1.00 0.38 C ATOM 1397 CD2 LEU A 87 -25.253 1.630 -17.358 1.00 0.35 C ATOM 0 H LEU A 87 -23.841 -0.982 -14.206 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.246 -1.762 -16.919 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.696 0.707 -15.271 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.746 0.890 -16.733 1.00 0.26 H new ATOM 0 HG LEU A 87 -24.510 -0.240 -18.020 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.710 -0.623 -16.998 1.00 0.38 H new ATOM 0 HD12 LEU A 87 -25.442 -1.631 -16.260 1.00 0.38 H new ATOM 0 HD13 LEU A 87 -26.038 -0.187 -15.408 1.00 0.38 H new ATOM 0 HD21 LEU A 87 -26.164 1.570 -17.954 1.00 0.35 H new ATOM 0 HD22 LEU A 87 -25.466 2.144 -16.421 1.00 0.35 H new ATOM 0 HD23 LEU A 87 -24.494 2.183 -17.911 1.00 0.35 H new ATOM 1409 N PHE A 88 -20.796 -1.995 -16.739 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.342 -2.103 -16.758 1.00 0.19 C ATOM 1411 C PHE A 88 -18.775 -1.397 -17.990 1.00 0.20 C ATOM 1412 O PHE A 88 -19.155 -1.705 -19.120 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.933 -3.579 -16.754 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.969 -4.214 -15.376 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.091 -3.780 -14.394 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.869 -5.233 -15.092 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.115 -4.359 -13.139 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.891 -5.809 -13.834 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.015 -5.372 -12.858 1.00 0.22 C ATOM 0 H PHE A 88 -21.269 -2.653 -17.359 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.937 -1.621 -15.868 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.596 -4.133 -17.418 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.926 -3.670 -17.161 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.388 -2.989 -14.610 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.553 -5.576 -15.854 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.430 -4.020 -12.376 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.593 -6.600 -13.615 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.033 -5.821 -11.876 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.862 -0.455 -17.762 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.215 0.302 -18.843 1.00 0.26 C ATOM 1431 C GLN A 89 -15.771 -0.175 -18.999 1.00 0.22 C ATOM 1432 O GLN A 89 -15.025 -0.244 -18.016 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.256 1.807 -18.532 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.525 2.645 -19.792 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.237 3.194 -20.411 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.080 3.193 -21.631 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.329 3.685 -19.582 1.00 1.63 N ATOM 0 H GLN A 89 -17.548 -0.192 -16.828 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.749 0.132 -19.778 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.032 2.004 -17.792 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.308 2.112 -18.088 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -18.047 2.033 -20.528 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -18.186 3.474 -19.540 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.495 3.668 -18.576 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.463 4.080 -19.950 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.390 -0.511 -20.234 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.037 -0.998 -20.541 1.00 0.24 C ATOM 1448 C ALA A 90 -13.174 0.116 -21.138 1.00 0.27 C ATOM 1449 O ALA A 90 -13.679 1.144 -21.592 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.123 -2.175 -21.518 1.00 0.29 C ATOM 0 H ALA A 90 -16.004 -0.455 -21.047 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.570 -1.328 -19.613 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.119 -2.534 -21.744 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.704 -2.980 -21.068 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.608 -1.849 -22.438 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.859 -0.104 -21.129 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.891 0.866 -21.655 1.00 0.44 C ATOM 1458 C LYS A 91 -10.768 0.775 -23.183 1.00 0.49 C ATOM 1459 O LYS A 91 -10.535 1.782 -23.847 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.521 0.641 -20.993 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.990 -0.785 -21.215 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.118 -1.254 -20.044 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.655 -1.414 -20.463 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.442 -2.647 -21.271 1.00 2.29 N ATOM 0 H LYS A 91 -11.434 -0.954 -20.759 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.251 1.867 -21.417 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.805 1.359 -21.393 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.601 0.833 -19.923 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.828 -1.470 -21.342 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.410 -0.818 -22.137 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.187 -0.536 -19.227 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.495 -2.204 -19.666 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.345 -0.543 -21.041 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.024 -1.448 -19.575 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.426 -2.868 -21.306 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.954 -3.440 -20.835 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.797 -2.495 -22.237 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.913 -0.434 -23.737 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.806 -0.641 -25.196 1.00 0.66 C ATOM 1480 C ASP A 92 -11.882 -1.607 -25.701 1.00 0.59 C ATOM 1481 O ASP A 92 -12.589 -2.250 -24.914 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.407 -1.181 -25.552 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.001 -0.751 -26.963 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.347 -1.462 -27.928 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.326 0.291 -27.107 1.00 1.77 O ATOM 0 H ASP A 92 -11.104 -1.283 -23.205 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.958 0.321 -25.684 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.676 -0.814 -24.831 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.404 -2.269 -25.484 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.971 -1.717 -27.033 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.929 -2.607 -27.715 1.00 0.63 C ATOM 1492 C ASP A 93 -12.615 -4.068 -27.379 1.00 0.49 C ATOM 1493 O ASP A 93 -13.508 -4.850 -27.036 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.841 -2.375 -29.242 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.998 -3.041 -29.995 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.195 -4.264 -29.831 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.725 -2.343 -30.730 1.00 2.21 O ATOM 0 H ASP A 93 -11.379 -1.189 -27.674 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.941 -2.385 -27.376 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.845 -1.304 -29.446 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.894 -2.767 -29.614 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.329 -4.418 -27.461 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.859 -5.773 -27.155 1.00 0.41 C ATOM 1504 C GLU A 94 -11.167 -6.133 -25.699 1.00 0.36 C ATOM 1505 O GLU A 94 -11.627 -7.234 -25.408 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.356 -5.869 -27.416 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.028 -5.545 -28.873 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.565 -5.838 -29.166 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.701 -5.054 -28.730 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.274 -6.851 -29.828 1.00 2.59 O ATOM 0 H GLU A 94 -10.588 -3.775 -27.740 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.380 -6.480 -27.800 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.825 -5.180 -26.759 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.006 -6.873 -27.176 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.663 -6.134 -29.535 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.243 -4.496 -29.076 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.924 -5.180 -24.795 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.177 -5.357 -23.360 1.00 0.29 C ATOM 1519 C GLU A 95 -12.654 -5.683 -23.102 1.00 0.24 C ATOM 1520 O GLU A 95 -12.970 -6.635 -22.388 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.789 -4.077 -22.605 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.665 -4.325 -21.101 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.391 -5.097 -20.794 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -8.302 -4.502 -20.867 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.478 -6.298 -20.466 1.00 1.30 O ATOM 0 H GLU A 95 -10.546 -4.264 -25.036 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.573 -6.191 -23.003 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.842 -3.699 -22.991 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.538 -3.306 -22.787 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.659 -3.374 -20.569 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -11.531 -4.884 -20.746 1.00 0.42 H new ATOM 1532 N MET A 96 -13.549 -4.892 -23.706 1.00 0.24 N ATOM 1533 CA MET A 96 -15.001 -5.089 -23.563 1.00 0.22 C ATOM 1534 C MET A 96 -15.405 -6.484 -24.048 1.00 0.22 C ATOM 1535 O MET A 96 -16.192 -7.175 -23.403 1.00 0.23 O ATOM 1536 CB MET A 96 -15.759 -4.019 -24.363 1.00 0.26 C ATOM 1537 CG MET A 96 -17.228 -3.917 -23.930 1.00 0.39 C ATOM 1538 SD MET A 96 -18.340 -3.547 -25.301 1.00 0.94 S ATOM 1539 CE MET A 96 -18.200 -5.044 -26.291 1.00 0.77 C ATOM 0 H MET A 96 -13.293 -4.105 -24.302 1.00 0.24 H new ATOM 0 HA MET A 96 -15.259 -4.998 -22.508 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.273 -3.053 -24.229 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.709 -4.256 -25.426 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.531 -4.856 -23.466 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.325 -3.141 -23.171 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.712 -4.810 -27.237 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.609 -5.784 -25.751 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.194 -5.446 -26.486 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.844 -6.889 -25.184 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.124 -8.198 -25.777 1.00 0.28 C ATOM 1551 C ASN A 97 -14.560 -9.326 -24.900 1.00 0.26 C ATOM 1552 O ASN A 97 -15.219 -10.346 -24.694 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.516 -8.255 -27.189 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.322 -9.173 -28.113 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.139 -9.978 -27.664 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.088 -9.059 -29.411 1.00 1.24 N ATOM 0 H ASN A 97 -14.185 -6.324 -25.719 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.203 -8.337 -25.843 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.482 -7.251 -27.612 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.487 -8.611 -27.129 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.591 -9.649 -30.074 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.404 -8.381 -29.748 1.00 1.24 H new ATOM 1563 N THR A 98 -13.346 -9.130 -24.372 1.00 0.25 N ATOM 1564 CA THR A 98 -12.693 -10.125 -23.508 1.00 0.27 C ATOM 1565 C THR A 98 -13.503 -10.339 -22.218 1.00 0.23 C ATOM 1566 O THR A 98 -13.598 -11.458 -21.718 1.00 0.27 O ATOM 1567 CB THR A 98 -11.257 -9.679 -23.168 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.543 -9.346 -24.355 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.503 -10.776 -22.410 1.00 0.39 C ATOM 0 H THR A 98 -12.792 -8.288 -24.528 1.00 0.25 H new ATOM 0 HA THR A 98 -12.648 -11.071 -24.048 1.00 0.27 H new ATOM 0 HB THR A 98 -11.328 -8.798 -22.530 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.702 -8.405 -24.579 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.493 -10.434 -22.184 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.026 -11.002 -21.481 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.452 -11.674 -23.025 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.090 -9.258 -21.693 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.896 -9.326 -20.468 1.00 0.20 C ATOM 1579 C TRP A 99 -16.204 -10.081 -20.726 1.00 0.21 C ATOM 1580 O TRP A 99 -16.540 -11.006 -19.990 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.196 -7.910 -19.939 1.00 0.21 C ATOM 1582 CG TRP A 99 -14.074 -7.339 -19.117 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.363 -6.199 -19.375 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.535 -7.885 -17.892 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.425 -6.034 -18.395 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.502 -7.035 -17.477 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.825 -9.009 -17.114 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.769 -7.275 -16.327 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.093 -9.255 -15.959 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.076 -8.397 -15.571 1.00 0.29 C ATOM 0 H TRP A 99 -14.022 -8.324 -22.098 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.325 -9.866 -19.713 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.395 -7.248 -20.782 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.103 -7.938 -19.335 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.518 -5.538 -20.215 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.757 -5.264 -18.357 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.615 -9.684 -17.409 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.977 -6.605 -16.026 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.319 -10.123 -15.358 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.517 -8.604 -14.671 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.930 -9.689 -21.778 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.205 -10.333 -22.138 1.00 0.24 C ATOM 1603 C ILE A 100 -18.004 -11.831 -22.434 1.00 0.28 C ATOM 1604 O ILE A 100 -18.783 -12.665 -21.968 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.845 -9.605 -23.334 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.335 -8.215 -22.898 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.007 -10.413 -23.933 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.935 -7.435 -24.067 1.00 0.29 C ATOM 0 H ILE A 100 -16.658 -8.927 -22.399 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.885 -10.260 -21.289 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.085 -9.496 -24.108 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.081 -8.323 -22.111 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.503 -7.652 -22.474 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.434 -9.867 -24.775 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.639 -11.380 -24.276 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.774 -10.566 -23.173 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.270 -6.458 -23.719 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.181 -7.305 -24.843 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.783 -7.985 -24.474 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.950 -12.168 -23.183 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.645 -13.571 -23.513 1.00 0.35 C ATOM 1622 C GLN A 101 -16.242 -14.357 -22.254 1.00 0.36 C ATOM 1623 O GLN A 101 -16.690 -15.490 -22.052 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.527 -13.638 -24.561 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.043 -13.236 -25.947 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.958 -13.424 -27.005 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.293 -14.456 -27.053 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.779 -12.429 -27.859 1.00 1.76 N ATOM 0 H GLN A 101 -16.292 -11.493 -23.573 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.545 -14.027 -23.926 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.710 -12.978 -24.268 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.121 -14.649 -24.600 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.915 -13.837 -26.204 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.366 -12.195 -25.932 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.350 -11.587 -27.788 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.070 -12.504 -28.588 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.410 -13.741 -21.403 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.955 -14.366 -20.151 1.00 0.37 C ATOM 1639 C ALA A 102 -16.130 -14.565 -19.184 1.00 0.38 C ATOM 1640 O ALA A 102 -16.196 -15.566 -18.474 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.873 -13.501 -19.491 1.00 0.38 C ATOM 0 H ALA A 102 -15.036 -12.805 -21.559 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.534 -15.343 -20.389 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.544 -13.973 -18.565 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.025 -13.400 -20.168 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.281 -12.515 -19.270 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.059 -13.604 -19.171 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.244 -13.663 -18.306 1.00 0.38 C ATOM 1649 C ILE A 103 -19.180 -14.787 -18.776 1.00 0.47 C ATOM 1650 O ILE A 103 -19.684 -15.569 -17.966 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.960 -12.296 -18.312 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.168 -11.279 -17.477 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.397 -12.402 -17.784 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.375 -9.849 -17.976 1.00 0.35 C ATOM 0 H ILE A 103 -17.013 -12.769 -19.755 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.941 -13.884 -17.283 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.010 -11.956 -19.347 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.476 -11.348 -16.434 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.107 -11.527 -17.514 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.866 -11.418 -17.805 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.966 -13.088 -18.412 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.382 -12.775 -16.760 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.798 -9.161 -17.358 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.043 -9.773 -19.011 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.432 -9.592 -17.914 1.00 0.35 H new ATOM 1666 N SER A 104 -19.390 -14.873 -20.095 1.00 0.53 N ATOM 1667 CA SER A 104 -20.245 -15.909 -20.693 1.00 0.66 C ATOM 1668 C SER A 104 -19.704 -17.314 -20.377 1.00 0.72 C ATOM 1669 O SER A 104 -20.475 -18.251 -20.164 1.00 0.89 O ATOM 1670 CB SER A 104 -20.324 -15.708 -22.210 1.00 0.81 C ATOM 1671 OG SER A 104 -20.746 -14.384 -22.524 1.00 1.05 O ATOM 0 H SER A 104 -18.977 -14.233 -20.774 1.00 0.53 H new ATOM 0 HA SER A 104 -21.244 -15.821 -20.265 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.349 -15.899 -22.658 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.020 -16.428 -22.641 1.00 0.81 H new ATOM 0 HG SER A 104 -19.974 -13.781 -22.502 1.00 1.05 H new ATOM 1677 N SER A 105 -18.374 -17.439 -20.339 1.00 0.80 N ATOM 1678 CA SER A 105 -17.700 -18.710 -20.041 1.00 1.13 C ATOM 1679 C SER A 105 -17.186 -18.727 -18.590 1.00 1.23 C ATOM 1680 O SER A 105 -16.141 -19.316 -18.302 1.00 1.61 O ATOM 1681 CB SER A 105 -16.532 -18.912 -21.016 1.00 1.48 C ATOM 1682 OG SER A 105 -16.941 -18.670 -22.361 1.00 1.63 O ATOM 0 H SER A 105 -17.734 -16.664 -20.513 1.00 0.80 H new ATOM 0 HA SER A 105 -18.416 -19.523 -20.159 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.715 -18.240 -20.754 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.150 -19.929 -20.926 1.00 1.48 H new ATOM 0 HG SER A 105 -16.919 -17.707 -22.541 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.918 -18.074 -17.678 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.531 -18.013 -16.260 1.00 1.59 C ATOM 1690 C ALA A 106 -17.869 -19.324 -15.545 1.00 2.40 C ATOM 1691 O ALA A 106 -17.137 -19.699 -14.604 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.241 -16.847 -15.567 1.00 1.90 C ATOM 1693 OXT ALA A 106 -18.857 -19.986 -15.926 1.00 3.05 O ATOM 0 H ALA A 106 -18.783 -17.579 -17.896 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.453 -17.858 -16.210 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -17.946 -16.813 -14.518 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.963 -15.912 -16.053 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.320 -16.985 -15.636 1.00 1.90 H new TER 1699 ALA A 106