USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 103 ASN : amide:sc= 0.387 K(o=0.84,f=-0.47) USER MOD Set 1.2: A 105 THR OG1 : rot 54:sc= 0.449 USER MOD Set 2.1: A 89 CYS SG : rot -95:sc= -4.74! USER MOD Set 2.2: A 100 SER OG : rot 21:sc= -0.327 USER MOD Set 3.1: A 43 LYS NZ :NH3+ 172:sc= -1.72 (180deg=-2.69) USER MOD Set 3.2: A 87 TYR OH : rot -77:sc= 0.832 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.64 K(o=-2.6,f=-0.84) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 3:sc= -0.0868 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -49:sc= 0.552 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 45 LYS NZ :NH3+ 124:sc= -0.0887 (180deg=-0.451) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 58 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.92) USER MOD Single : A 60 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-3.8!) USER MOD Single : A 62 SER OG : rot 72:sc= 1.01 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0.868 (180deg=0.73) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 92:sc= 1.06 USER MOD Single : A 80 GLN : amide:sc= -5.22! K(o=-5.2!,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -44:sc= -2.1 USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= -2.74! (180deg=-3.39!) USER MOD Single : A 96 LYS NZ :NH3+ 136:sc= 1.16 (180deg=0.189) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.0738 K(o=0.074,f=-0.65) USER MOD Single : A 107 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -18.573 -8.897 -1.579 1.00 0.70 N ATOM 14 CA ASP A 2 -19.611 -8.406 -2.447 1.00 0.72 C ATOM 15 C ASP A 2 -19.014 -7.622 -3.606 1.00 0.70 C ATOM 16 O ASP A 2 -17.824 -7.324 -3.588 1.00 0.75 O ATOM 17 CB ASP A 2 -20.462 -7.489 -1.615 1.00 0.79 C ATOM 18 CG ASP A 2 -21.427 -8.223 -0.706 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.348 -8.878 -1.221 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.271 -8.117 0.525 1.00 1.65 O ATOM 0 HA ASP A 2 -20.187 -9.232 -2.863 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -19.815 -6.855 -1.009 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.026 -6.830 -2.275 1.00 0.79 H new ATOM 25 N PRO A 3 -19.825 -7.243 -4.613 1.00 0.71 N ATOM 26 CA PRO A 3 -19.362 -6.444 -5.761 1.00 0.72 C ATOM 27 C PRO A 3 -19.063 -4.985 -5.405 1.00 0.66 C ATOM 28 O PRO A 3 -19.386 -4.066 -6.154 1.00 0.97 O ATOM 29 CB PRO A 3 -20.522 -6.536 -6.768 1.00 0.84 C ATOM 30 CG PRO A 3 -21.441 -7.590 -6.234 1.00 0.94 C ATOM 31 CD PRO A 3 -21.245 -7.597 -4.749 1.00 0.81 C ATOM 0 HA PRO A 3 -18.417 -6.824 -6.148 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.036 -5.579 -6.861 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.158 -6.800 -7.761 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.477 -7.369 -6.489 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -21.207 -8.565 -6.663 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -21.892 -6.875 -4.251 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.463 -8.573 -4.316 1.00 0.81 H new ATOM 39 N ILE A 4 -18.429 -4.795 -4.260 1.00 0.45 N ATOM 40 CA ILE A 4 -17.878 -3.507 -3.872 1.00 0.41 C ATOM 41 C ILE A 4 -16.819 -3.086 -4.873 1.00 0.41 C ATOM 42 O ILE A 4 -16.815 -1.959 -5.378 1.00 0.50 O ATOM 43 CB ILE A 4 -17.250 -3.608 -2.463 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.300 -3.364 -1.386 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.083 -2.648 -2.275 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.290 -4.484 -1.267 1.00 0.46 C ATOM 0 H ILE A 4 -18.281 -5.532 -3.571 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.676 -2.765 -3.855 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.861 -4.621 -2.367 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.802 -3.223 -0.427 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.832 -2.439 -1.608 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.679 -2.760 -1.269 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.306 -2.873 -3.006 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.428 -1.624 -2.416 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.011 -4.251 -0.484 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.812 -4.610 -2.215 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.767 -5.407 -1.015 1.00 0.46 H new ATOM 58 N GLY A 5 -15.914 -4.011 -5.131 1.00 0.36 N ATOM 59 CA GLY A 5 -14.826 -3.744 -6.043 1.00 0.39 C ATOM 60 C GLY A 5 -13.703 -3.098 -5.293 1.00 0.33 C ATOM 61 O GLY A 5 -12.953 -2.289 -5.829 1.00 0.33 O ATOM 0 H GLY A 5 -15.913 -4.946 -4.724 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.486 -4.671 -6.504 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.163 -3.093 -6.849 1.00 0.39 H new ATOM 65 N LEU A 6 -13.639 -3.481 -4.027 1.00 0.32 N ATOM 66 CA LEU A 6 -12.717 -2.951 -3.046 1.00 0.29 C ATOM 67 C LEU A 6 -11.330 -2.769 -3.631 1.00 0.29 C ATOM 68 O LEU A 6 -10.768 -1.678 -3.598 1.00 0.33 O ATOM 69 CB LEU A 6 -12.691 -3.928 -1.879 1.00 0.29 C ATOM 70 CG LEU A 6 -12.391 -3.331 -0.520 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.367 -2.214 -0.186 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.460 -4.419 0.520 1.00 0.28 C ATOM 0 H LEU A 6 -14.255 -4.199 -3.644 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.044 -1.965 -2.716 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.658 -4.429 -1.828 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.946 -4.695 -2.090 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.390 -2.900 -0.534 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.128 -1.804 0.795 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.291 -1.428 -0.937 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.383 -2.609 -0.177 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.245 -3.998 1.502 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.458 -4.856 0.523 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.726 -5.191 0.288 1.00 0.28 H new ATOM 84 N PHE A 7 -10.796 -3.833 -4.192 1.00 0.30 N ATOM 85 CA PHE A 7 -9.516 -3.768 -4.841 1.00 0.32 C ATOM 86 C PHE A 7 -9.688 -3.287 -6.270 1.00 0.29 C ATOM 87 O PHE A 7 -9.802 -4.076 -7.204 1.00 0.32 O ATOM 88 CB PHE A 7 -8.839 -5.131 -4.800 1.00 0.41 C ATOM 89 CG PHE A 7 -7.542 -5.137 -4.041 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.254 -4.153 -3.111 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.610 -6.130 -4.263 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.056 -4.160 -2.422 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.415 -6.142 -3.580 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.135 -5.156 -2.664 1.00 0.61 C ATOM 0 H PHE A 7 -11.235 -4.754 -4.208 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.879 -3.058 -4.314 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.519 -5.852 -4.346 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.654 -5.466 -5.821 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -7.974 -3.371 -2.922 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.821 -6.908 -4.982 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.843 -3.388 -1.697 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.696 -6.927 -3.764 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.194 -5.162 -2.134 1.00 0.61 H new ATOM 104 N VAL A 8 -9.749 -1.976 -6.406 1.00 0.28 N ATOM 105 CA VAL A 8 -9.869 -1.338 -7.706 1.00 0.34 C ATOM 106 C VAL A 8 -8.557 -1.463 -8.463 1.00 0.44 C ATOM 107 O VAL A 8 -8.533 -1.791 -9.648 1.00 0.63 O ATOM 108 CB VAL A 8 -10.248 0.148 -7.561 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.552 0.763 -8.919 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.433 0.305 -6.617 1.00 0.33 C ATOM 0 H VAL A 8 -9.717 -1.324 -5.622 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.661 -1.840 -8.262 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.397 0.680 -7.134 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.817 1.813 -8.792 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.673 0.686 -9.558 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.384 0.232 -9.381 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.688 1.361 -6.526 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.289 -0.242 -7.013 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.172 -0.091 -5.636 1.00 0.33 H new ATOM 120 N MET A 9 -7.464 -1.192 -7.766 1.00 0.43 N ATOM 121 CA MET A 9 -6.137 -1.422 -8.303 1.00 0.65 C ATOM 122 C MET A 9 -5.258 -2.055 -7.254 1.00 0.44 C ATOM 123 O MET A 9 -5.232 -1.603 -6.109 1.00 0.44 O ATOM 124 CB MET A 9 -5.489 -0.134 -8.776 1.00 1.05 C ATOM 125 CG MET A 9 -6.118 0.414 -10.029 1.00 1.45 C ATOM 126 SD MET A 9 -5.934 -0.688 -11.443 1.00 2.35 S ATOM 127 CE MET A 9 -6.678 0.296 -12.742 1.00 2.88 C ATOM 0 H MET A 9 -7.474 -0.810 -6.820 1.00 0.43 H new ATOM 0 HA MET A 9 -6.244 -2.089 -9.159 1.00 0.65 H new ATOM 0 HB2 MET A 9 -5.557 0.613 -7.985 1.00 1.05 H new ATOM 0 HB3 MET A 9 -4.429 -0.312 -8.956 1.00 1.05 H new ATOM 0 HG2 MET A 9 -7.178 0.593 -9.849 1.00 1.45 H new ATOM 0 HG3 MET A 9 -5.667 1.378 -10.265 1.00 1.45 H new ATOM 0 HE1 MET A 9 -6.639 -0.254 -13.682 1.00 2.88 H new ATOM 0 HE2 MET A 9 -7.717 0.508 -12.488 1.00 2.88 H new ATOM 0 HE3 MET A 9 -6.131 1.233 -12.847 1.00 2.88 H new ATOM 137 N ARG A 10 -4.555 -3.100 -7.635 1.00 0.47 N ATOM 138 CA ARG A 10 -3.594 -3.705 -6.755 1.00 0.41 C ATOM 139 C ARG A 10 -2.240 -3.059 -6.981 1.00 0.39 C ATOM 140 O ARG A 10 -1.718 -3.053 -8.102 1.00 0.45 O ATOM 141 CB ARG A 10 -3.503 -5.212 -6.977 1.00 0.46 C ATOM 142 CG ARG A 10 -4.844 -5.924 -6.904 1.00 0.97 C ATOM 143 CD ARG A 10 -4.704 -7.436 -7.016 1.00 1.34 C ATOM 144 NE ARG A 10 -5.939 -8.125 -6.637 1.00 2.11 N ATOM 145 CZ ARG A 10 -6.146 -9.432 -6.789 1.00 2.72 C ATOM 146 NH1 ARG A 10 -5.241 -10.192 -7.393 1.00 2.74 N ATOM 147 NH2 ARG A 10 -7.274 -9.974 -6.354 1.00 3.67 N ATOM 0 H ARG A 10 -4.635 -3.544 -8.550 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.915 -3.545 -5.726 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -3.055 -5.400 -7.953 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -2.834 -5.640 -6.231 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.334 -5.676 -5.962 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -5.489 -5.561 -7.704 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -4.439 -7.702 -8.039 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.888 -7.774 -6.377 1.00 1.34 H new ATOM 0 HE ARG A 10 -6.690 -7.568 -6.230 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.379 -9.776 -7.745 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -5.408 -11.192 -7.505 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -7.980 -9.391 -5.905 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -7.436 -10.974 -6.468 1.00 3.67 H new ATOM 161 N PRO A 11 -1.674 -2.487 -5.920 1.00 0.43 N ATOM 162 CA PRO A 11 -0.370 -1.838 -5.973 1.00 0.50 C ATOM 163 C PRO A 11 0.714 -2.833 -6.344 1.00 0.47 C ATOM 164 O PRO A 11 0.552 -4.041 -6.153 1.00 0.54 O ATOM 165 CB PRO A 11 -0.165 -1.287 -4.563 1.00 0.62 C ATOM 166 CG PRO A 11 -1.123 -2.020 -3.704 1.00 0.64 C ATOM 167 CD PRO A 11 -2.261 -2.456 -4.577 1.00 0.53 C ATOM 0 HA PRO A 11 -0.321 -1.055 -6.729 1.00 0.50 H new ATOM 0 HB2 PRO A 11 0.860 -1.442 -4.227 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.352 -0.214 -4.531 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.642 -2.881 -3.241 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.481 -1.382 -2.896 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.640 -3.435 -4.283 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -3.098 -1.760 -4.521 1.00 0.53 H new ATOM 175 N GLN A 12 1.811 -2.344 -6.879 1.00 0.44 N ATOM 176 CA GLN A 12 2.766 -3.204 -7.501 1.00 0.43 C ATOM 177 C GLN A 12 4.139 -3.122 -6.832 1.00 0.37 C ATOM 178 O GLN A 12 4.398 -2.162 -6.127 1.00 0.40 O ATOM 179 CB GLN A 12 2.862 -2.796 -8.948 1.00 0.55 C ATOM 180 CG GLN A 12 3.590 -3.803 -9.755 1.00 0.73 C ATOM 181 CD GLN A 12 2.787 -5.090 -9.917 1.00 1.06 C ATOM 182 OE1 GLN A 12 2.119 -5.279 -10.934 1.00 1.43 O ATOM 183 NE2 GLN A 12 2.773 -5.957 -8.899 1.00 1.32 N ATOM 0 H GLN A 12 2.055 -1.354 -6.891 1.00 0.44 H new ATOM 0 HA GLN A 12 2.439 -4.239 -7.403 1.00 0.43 H new ATOM 0 HB2 GLN A 12 1.860 -2.659 -9.355 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.370 -1.834 -9.022 1.00 0.55 H new ATOM 0 HG2 GLN A 12 3.813 -3.388 -10.738 1.00 0.73 H new ATOM 0 HG3 GLN A 12 4.545 -4.028 -9.280 1.00 0.73 H new ATOM 0 HE21 GLN A 12 3.336 -5.777 -8.068 1.00 1.32 H new ATOM 0 HE22 GLN A 12 2.200 -6.799 -8.954 1.00 1.32 H new ATOM 192 N ASP A 13 4.993 -4.152 -7.039 1.00 0.34 N ATOM 193 CA ASP A 13 6.335 -4.209 -6.562 1.00 0.33 C ATOM 194 C ASP A 13 7.185 -3.051 -7.066 1.00 0.36 C ATOM 195 O ASP A 13 6.735 -1.923 -7.259 1.00 0.50 O ATOM 196 CB ASP A 13 6.948 -5.520 -7.085 1.00 0.35 C ATOM 197 CG ASP A 13 5.988 -6.694 -7.102 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.147 -6.771 -8.018 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.070 -7.539 -6.195 1.00 2.06 O ATOM 0 H ASP A 13 4.725 -4.983 -7.567 1.00 0.34 H new ATOM 0 HA ASP A 13 6.319 -4.153 -5.474 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.320 -5.355 -8.096 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.808 -5.778 -6.467 1.00 0.35 H new ATOM 204 N GLY A 14 8.421 -3.381 -7.300 1.00 0.30 N ATOM 205 CA GLY A 14 9.401 -2.417 -7.702 1.00 0.30 C ATOM 206 C GLY A 14 10.786 -2.807 -7.264 1.00 0.25 C ATOM 207 O GLY A 14 11.013 -3.243 -6.136 1.00 0.28 O ATOM 0 H GLY A 14 8.779 -4.332 -7.217 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.380 -2.309 -8.786 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.148 -1.444 -7.280 1.00 0.30 H new ATOM 211 N GLU A 15 11.698 -2.659 -8.174 1.00 0.26 N ATOM 212 CA GLU A 15 13.104 -2.895 -7.917 1.00 0.25 C ATOM 213 C GLU A 15 13.826 -1.573 -7.961 1.00 0.23 C ATOM 214 O GLU A 15 13.811 -0.895 -8.986 1.00 0.30 O ATOM 215 CB GLU A 15 13.725 -3.830 -8.950 1.00 0.33 C ATOM 216 CG GLU A 15 13.290 -5.278 -8.845 1.00 0.69 C ATOM 217 CD GLU A 15 14.267 -6.198 -9.546 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.433 -6.294 -9.107 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.855 -6.853 -10.530 1.00 1.53 O ATOM 0 H GLU A 15 11.495 -2.368 -9.130 1.00 0.26 H new ATOM 0 HA GLU A 15 13.197 -3.368 -6.939 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.477 -3.463 -9.946 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.810 -3.784 -8.854 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.210 -5.561 -7.795 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.299 -5.395 -9.283 1.00 0.69 H new ATOM 226 N VAL A 16 14.437 -1.187 -6.857 1.00 0.20 N ATOM 227 CA VAL A 16 15.052 0.072 -6.754 1.00 0.21 C ATOM 228 C VAL A 16 16.350 -0.112 -6.018 1.00 0.22 C ATOM 229 O VAL A 16 16.574 -1.125 -5.377 1.00 0.27 O ATOM 230 CB VAL A 16 14.158 1.072 -6.005 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.708 0.929 -6.431 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.305 0.943 -4.494 1.00 0.23 C ATOM 0 H VAL A 16 14.507 -1.760 -6.016 1.00 0.20 H new ATOM 0 HA VAL A 16 15.224 0.477 -7.751 1.00 0.21 H new ATOM 0 HB VAL A 16 14.492 2.074 -6.275 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.096 1.648 -5.886 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.623 1.117 -7.501 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.362 -0.081 -6.212 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.656 1.668 -4.002 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.024 -0.064 -4.186 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.341 1.133 -4.212 1.00 0.23 H new ATOM 242 N THR A 17 17.180 0.850 -6.134 1.00 0.23 N ATOM 243 CA THR A 17 18.468 0.849 -5.474 1.00 0.27 C ATOM 244 C THR A 17 18.358 1.584 -4.143 1.00 0.28 C ATOM 245 O THR A 17 17.438 2.385 -3.950 1.00 0.28 O ATOM 246 CB THR A 17 19.523 1.555 -6.334 1.00 0.35 C ATOM 247 OG1 THR A 17 19.124 1.521 -7.710 1.00 0.77 O ATOM 248 CG2 THR A 17 20.889 0.902 -6.184 1.00 0.56 C ATOM 0 H THR A 17 17.001 1.683 -6.694 1.00 0.23 H new ATOM 0 HA THR A 17 18.769 -0.187 -5.316 1.00 0.27 H new ATOM 0 HB THR A 17 19.601 2.588 -5.994 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.799 1.974 -8.258 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.613 1.427 -6.807 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.203 0.951 -5.142 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.830 -0.141 -6.496 1.00 0.56 H new ATOM 256 N VAL A 18 19.272 1.311 -3.223 1.00 0.31 N ATOM 257 CA VAL A 18 19.348 2.072 -2.004 1.00 0.35 C ATOM 258 C VAL A 18 19.750 3.470 -2.346 1.00 0.36 C ATOM 259 O VAL A 18 20.877 3.765 -2.746 1.00 0.39 O ATOM 260 CB VAL A 18 20.364 1.562 -0.990 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.150 2.230 0.358 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.326 0.054 -0.855 1.00 0.78 C ATOM 0 H VAL A 18 19.966 0.568 -3.306 1.00 0.31 H new ATOM 0 HA VAL A 18 18.362 1.992 -1.546 1.00 0.35 H new ATOM 0 HB VAL A 18 21.355 1.825 -1.360 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.884 1.854 1.071 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.266 3.309 0.252 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.146 2.007 0.719 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.067 -0.264 -0.122 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.334 -0.257 -0.527 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.550 -0.403 -1.819 1.00 0.78 H new ATOM 272 N GLY A 19 18.788 4.288 -2.219 1.00 0.38 N ATOM 273 CA GLY A 19 18.962 5.702 -2.425 1.00 0.45 C ATOM 274 C GLY A 19 18.189 6.220 -3.612 1.00 0.40 C ATOM 275 O GLY A 19 18.427 7.341 -4.057 1.00 0.48 O ATOM 0 H GLY A 19 17.838 4.014 -1.967 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.645 6.237 -1.530 1.00 0.45 H new ATOM 0 HA3 GLY A 19 20.021 5.916 -2.566 1.00 0.45 H new ATOM 279 N GLY A 20 17.276 5.418 -4.156 1.00 0.32 N ATOM 280 CA GLY A 20 16.423 5.924 -5.170 1.00 0.32 C ATOM 281 C GLY A 20 15.118 6.311 -4.590 1.00 0.30 C ATOM 282 O GLY A 20 15.023 7.138 -3.691 1.00 0.44 O ATOM 0 H GLY A 20 17.127 4.441 -3.904 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.887 6.786 -5.649 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.277 5.170 -5.943 1.00 0.32 H new ATOM 286 N SER A 21 14.125 5.743 -5.158 1.00 0.24 N ATOM 287 CA SER A 21 12.785 5.873 -4.724 1.00 0.22 C ATOM 288 C SER A 21 12.000 4.658 -5.164 1.00 0.22 C ATOM 289 O SER A 21 12.475 3.842 -5.948 1.00 0.25 O ATOM 290 CB SER A 21 12.173 7.115 -5.311 1.00 0.30 C ATOM 291 OG SER A 21 12.811 8.295 -4.849 1.00 0.82 O ATOM 0 H SER A 21 14.227 5.145 -5.978 1.00 0.24 H new ATOM 0 HA SER A 21 12.762 5.950 -3.637 1.00 0.22 H new ATOM 0 HB2 SER A 21 12.237 7.071 -6.398 1.00 0.30 H new ATOM 0 HB3 SER A 21 11.114 7.152 -5.055 1.00 0.30 H new ATOM 0 HG SER A 21 13.566 8.054 -4.272 1.00 0.82 H new ATOM 297 N ILE A 22 10.805 4.578 -4.667 1.00 0.22 N ATOM 298 CA ILE A 22 9.827 3.644 -5.074 1.00 0.24 C ATOM 299 C ILE A 22 8.481 4.283 -4.896 1.00 0.25 C ATOM 300 O ILE A 22 8.267 5.159 -4.062 1.00 0.27 O ATOM 301 CB ILE A 22 9.894 2.320 -4.324 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.983 1.293 -4.967 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.545 2.470 -2.856 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.306 0.986 -6.413 1.00 0.32 C ATOM 0 H ILE A 22 10.478 5.200 -3.928 1.00 0.22 H new ATOM 0 HA ILE A 22 10.013 3.391 -6.118 1.00 0.24 H new ATOM 0 HB ILE A 22 10.927 1.977 -4.385 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.036 0.369 -4.392 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.955 1.649 -4.905 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.607 1.498 -2.366 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.245 3.160 -2.384 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.532 2.860 -2.761 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.605 0.242 -6.792 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.224 1.897 -7.006 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.322 0.597 -6.484 1.00 0.32 H new ATOM 316 N THR A 23 7.616 3.880 -5.721 1.00 0.25 N ATOM 317 CA THR A 23 6.274 4.416 -5.735 1.00 0.23 C ATOM 318 C THR A 23 5.273 3.321 -5.987 1.00 0.24 C ATOM 319 O THR A 23 5.366 2.575 -6.961 1.00 0.28 O ATOM 320 CB THR A 23 6.081 5.527 -6.774 1.00 0.26 C ATOM 321 OG1 THR A 23 7.100 6.525 -6.614 1.00 0.31 O ATOM 322 CG2 THR A 23 4.692 6.172 -6.643 1.00 0.24 C ATOM 0 H THR A 23 7.791 3.163 -6.425 1.00 0.25 H new ATOM 0 HA THR A 23 6.112 4.856 -4.751 1.00 0.23 H new ATOM 0 HB THR A 23 6.158 5.084 -7.767 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.973 7.232 -7.281 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.583 6.956 -7.392 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.923 5.415 -6.796 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.583 6.603 -5.648 1.00 0.24 H new ATOM 330 N PHE A 24 4.337 3.236 -5.092 1.00 0.24 N ATOM 331 CA PHE A 24 3.240 2.315 -5.204 1.00 0.27 C ATOM 332 C PHE A 24 1.952 3.118 -5.225 1.00 0.24 C ATOM 333 O PHE A 24 1.888 4.224 -4.686 1.00 0.30 O ATOM 334 CB PHE A 24 3.213 1.357 -4.017 1.00 0.40 C ATOM 335 CG PHE A 24 4.543 0.774 -3.648 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.225 -0.040 -4.536 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.117 1.048 -2.425 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.457 -0.564 -4.205 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.349 0.526 -2.088 1.00 0.51 C ATOM 340 CZ PHE A 24 6.990 -0.333 -2.950 1.00 0.49 C ATOM 0 H PHE A 24 4.310 3.811 -4.250 1.00 0.24 H new ATOM 0 HA PHE A 24 3.351 1.728 -6.116 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.811 1.884 -3.152 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.525 0.542 -4.242 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.788 -0.267 -5.497 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.595 1.680 -1.721 1.00 0.43 H new ATOM 0 HE1 PHE A 24 7.005 -1.154 -4.925 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.810 0.792 -1.148 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.904 -0.824 -2.649 1.00 0.49 H new ATOM 350 N SER A 25 0.955 2.573 -5.856 1.00 0.28 N ATOM 351 CA SER A 25 -0.354 3.165 -5.901 1.00 0.28 C ATOM 352 C SER A 25 -1.390 2.070 -5.752 1.00 0.27 C ATOM 353 O SER A 25 -1.352 1.054 -6.445 1.00 0.31 O ATOM 354 CB SER A 25 -0.577 3.891 -7.211 1.00 0.35 C ATOM 355 OG SER A 25 0.604 4.543 -7.649 1.00 0.58 O ATOM 0 H SER A 25 1.027 1.691 -6.363 1.00 0.28 H new ATOM 0 HA SER A 25 -0.442 3.888 -5.090 1.00 0.28 H new ATOM 0 HB2 SER A 25 -0.906 3.182 -7.970 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.376 4.623 -7.092 1.00 0.35 H new ATOM 0 HG SER A 25 0.429 5.001 -8.497 1.00 0.58 H new ATOM 361 N ALA A 26 -2.292 2.294 -4.848 1.00 0.26 N ATOM 362 CA ALA A 26 -3.327 1.321 -4.513 1.00 0.26 C ATOM 363 C ALA A 26 -4.694 1.990 -4.448 1.00 0.22 C ATOM 364 O ALA A 26 -4.893 2.940 -3.691 1.00 0.25 O ATOM 365 CB ALA A 26 -2.992 0.641 -3.191 1.00 0.32 C ATOM 0 H ALA A 26 -2.345 3.158 -4.309 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.363 0.563 -5.295 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.769 -0.084 -2.948 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.033 0.130 -3.277 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.934 1.390 -2.401 1.00 0.32 H new ATOM 371 N ARG A 27 -5.632 1.508 -5.254 1.00 0.22 N ATOM 372 CA ARG A 27 -6.946 2.121 -5.337 1.00 0.25 C ATOM 373 C ARG A 27 -8.000 1.246 -4.671 1.00 0.23 C ATOM 374 O ARG A 27 -8.183 0.090 -5.056 1.00 0.31 O ATOM 375 CB ARG A 27 -7.300 2.355 -6.803 1.00 0.36 C ATOM 376 CG ARG A 27 -6.340 3.296 -7.508 1.00 0.28 C ATOM 377 CD ARG A 27 -6.645 3.394 -8.992 1.00 0.46 C ATOM 378 NE ARG A 27 -5.709 4.277 -9.683 1.00 1.22 N ATOM 379 CZ ARG A 27 -6.050 5.097 -10.679 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.301 5.119 -11.133 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.130 5.886 -11.226 1.00 2.43 N ATOM 0 H ARG A 27 -5.505 0.696 -5.857 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.924 3.075 -4.810 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.309 1.398 -7.325 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.309 2.762 -6.866 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.402 4.286 -7.057 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.317 2.946 -7.368 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.603 2.400 -9.438 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.661 3.763 -9.130 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.733 4.266 -9.386 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -8.004 4.507 -10.719 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.556 5.748 -11.895 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -4.169 5.862 -10.884 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -5.385 6.515 -11.988 1.00 2.43 H new ATOM 395 N VAL A 28 -8.701 1.803 -3.686 1.00 0.19 N ATOM 396 CA VAL A 28 -9.705 1.071 -2.956 1.00 0.20 C ATOM 397 C VAL A 28 -11.048 1.760 -3.083 1.00 0.23 C ATOM 398 O VAL A 28 -11.194 2.954 -2.830 1.00 0.24 O ATOM 399 CB VAL A 28 -9.376 0.911 -1.463 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.288 -0.139 -0.838 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.911 0.555 -1.272 1.00 0.23 C ATOM 0 H VAL A 28 -8.582 2.769 -3.381 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.733 0.075 -3.398 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.552 1.861 -0.958 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.048 -0.246 0.220 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.327 0.172 -0.945 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.141 -1.094 -1.342 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.699 0.446 -0.208 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.695 -0.383 -1.783 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.287 1.346 -1.687 1.00 0.23 H new ATOM 411 N ALA A 29 -11.991 0.983 -3.518 1.00 0.29 N ATOM 412 CA ALA A 29 -13.364 1.394 -3.700 1.00 0.32 C ATOM 413 C ALA A 29 -13.980 1.954 -2.426 1.00 0.34 C ATOM 414 O ALA A 29 -14.160 1.242 -1.440 1.00 0.40 O ATOM 415 CB ALA A 29 -14.178 0.215 -4.189 1.00 0.38 C ATOM 0 H ALA A 29 -11.828 0.008 -3.768 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.373 2.196 -4.438 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.215 0.521 -4.328 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.774 -0.138 -5.138 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.132 -0.589 -3.454 1.00 0.38 H new ATOM 421 N GLY A 30 -14.268 3.240 -2.475 1.00 0.35 N ATOM 422 CA GLY A 30 -15.034 3.903 -1.433 1.00 0.42 C ATOM 423 C GLY A 30 -16.342 3.180 -1.164 1.00 0.50 C ATOM 424 O GLY A 30 -16.613 2.769 -0.042 1.00 0.76 O ATOM 0 H GLY A 30 -13.979 3.855 -3.236 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.445 3.946 -0.517 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.239 4.932 -1.728 1.00 0.42 H new ATOM 428 N ALA A 31 -17.150 3.053 -2.214 1.00 0.49 N ATOM 429 CA ALA A 31 -18.317 2.165 -2.240 1.00 0.55 C ATOM 430 C ALA A 31 -19.447 2.584 -1.301 1.00 0.64 C ATOM 431 O ALA A 31 -19.416 3.649 -0.688 1.00 0.71 O ATOM 432 CB ALA A 31 -17.887 0.739 -1.944 1.00 0.58 C ATOM 0 H ALA A 31 -17.014 3.569 -3.083 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.730 2.237 -3.246 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.758 0.084 -1.965 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.169 0.412 -2.696 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.424 0.696 -0.958 1.00 0.58 H new ATOM 438 N SER A 32 -20.468 1.731 -1.233 1.00 0.85 N ATOM 439 CA SER A 32 -21.599 1.932 -0.339 1.00 0.96 C ATOM 440 C SER A 32 -21.550 0.887 0.776 1.00 1.01 C ATOM 441 O SER A 32 -22.574 0.507 1.351 1.00 1.69 O ATOM 442 CB SER A 32 -22.914 1.820 -1.125 1.00 1.19 C ATOM 443 OG SER A 32 -24.037 2.137 -0.314 1.00 1.74 O ATOM 0 H SER A 32 -20.531 0.883 -1.797 1.00 0.85 H new ATOM 0 HA SER A 32 -21.547 2.927 0.102 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.884 2.491 -1.984 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.020 0.808 -1.515 1.00 1.19 H new ATOM 0 HG SER A 32 -23.981 1.643 0.530 1.00 1.74 H new ATOM 449 N LEU A 33 -20.338 0.415 1.041 1.00 0.96 N ATOM 450 CA LEU A 33 -20.058 -0.546 2.109 1.00 0.93 C ATOM 451 C LEU A 33 -20.550 -0.072 3.482 1.00 0.90 C ATOM 452 O LEU A 33 -20.990 1.069 3.639 1.00 0.98 O ATOM 453 CB LEU A 33 -18.544 -0.883 2.135 1.00 0.99 C ATOM 454 CG LEU A 33 -17.525 0.240 2.447 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.337 0.105 1.502 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.101 1.655 2.362 1.00 1.95 C ATOM 0 H LEU A 33 -19.509 0.691 0.515 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.620 -1.453 1.888 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.397 -1.673 2.871 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.284 -1.301 1.162 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.223 0.109 3.486 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -15.613 0.892 1.713 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -15.867 -0.868 1.645 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.680 0.195 0.471 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.321 2.380 2.595 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.475 1.836 1.354 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.918 1.759 3.076 1.00 1.95 H new ATOM 468 N LEU A 34 -20.490 -0.977 4.462 1.00 0.87 N ATOM 469 CA LEU A 34 -20.928 -0.687 5.828 1.00 0.89 C ATOM 470 C LEU A 34 -20.285 0.596 6.330 1.00 0.84 C ATOM 471 O LEU A 34 -20.963 1.523 6.769 1.00 0.95 O ATOM 472 CB LEU A 34 -20.555 -1.844 6.752 1.00 1.01 C ATOM 473 CG LEU A 34 -21.192 -1.782 8.137 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.664 -2.151 8.062 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.453 -2.690 9.111 1.00 1.47 C ATOM 0 H LEU A 34 -20.139 -1.926 4.332 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.011 -0.562 5.826 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.844 -2.780 6.275 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.471 -1.866 6.866 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.115 -0.759 8.506 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.103 -2.102 9.059 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.181 -1.453 7.403 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.766 -3.163 7.670 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -20.924 -2.631 10.092 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.492 -3.718 8.751 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.413 -2.372 9.187 1.00 1.47 H new ATOM 487 N LYS A 35 -18.969 0.621 6.265 1.00 0.76 N ATOM 488 CA LYS A 35 -18.202 1.811 6.545 1.00 0.76 C ATOM 489 C LYS A 35 -16.957 1.789 5.675 1.00 0.65 C ATOM 490 O LYS A 35 -16.550 0.711 5.244 1.00 0.75 O ATOM 491 CB LYS A 35 -17.871 1.921 8.052 1.00 0.90 C ATOM 492 CG LYS A 35 -17.183 0.709 8.683 1.00 0.92 C ATOM 493 CD LYS A 35 -15.733 0.589 8.243 1.00 0.90 C ATOM 494 CE LYS A 35 -14.869 -0.117 9.273 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.302 -1.513 9.544 1.00 1.40 N ATOM 0 H LYS A 35 -18.402 -0.189 6.015 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.784 2.701 6.305 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -17.233 2.792 8.200 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.798 2.109 8.594 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.227 0.791 9.769 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.722 -0.198 8.409 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.687 0.044 7.300 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.330 1.584 8.056 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.836 -0.125 8.927 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.889 0.450 10.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.673 -1.940 10.254 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.278 -1.510 9.903 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.258 -2.067 8.665 1.00 1.40 H new ATOM 509 N PRO A 36 -16.366 2.965 5.381 1.00 0.65 N ATOM 510 CA PRO A 36 -15.188 3.085 4.507 1.00 0.56 C ATOM 511 C PRO A 36 -14.174 1.966 4.729 1.00 0.45 C ATOM 512 O PRO A 36 -13.897 1.600 5.874 1.00 0.47 O ATOM 513 CB PRO A 36 -14.607 4.429 4.935 1.00 0.61 C ATOM 514 CG PRO A 36 -15.803 5.242 5.286 1.00 0.88 C ATOM 515 CD PRO A 36 -16.793 4.282 5.890 1.00 0.88 C ATOM 0 HA PRO A 36 -15.442 3.016 3.449 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.934 4.320 5.786 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.033 4.890 4.131 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.545 6.032 5.991 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.218 5.727 4.403 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.769 4.316 6.979 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.813 4.516 5.586 1.00 0.88 H new ATOM 523 N PRO A 37 -13.595 1.417 3.644 1.00 0.40 N ATOM 524 CA PRO A 37 -12.702 0.260 3.744 1.00 0.35 C ATOM 525 C PRO A 37 -11.552 0.504 4.690 1.00 0.32 C ATOM 526 O PRO A 37 -10.948 1.578 4.704 1.00 0.36 O ATOM 527 CB PRO A 37 -12.145 0.058 2.346 1.00 0.40 C ATOM 528 CG PRO A 37 -12.858 1.002 1.433 1.00 0.53 C ATOM 529 CD PRO A 37 -13.722 1.919 2.257 1.00 0.47 C ATOM 0 HA PRO A 37 -13.249 -0.602 4.125 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.072 0.248 2.331 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.291 -0.972 2.021 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.139 1.581 0.854 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.469 0.448 0.720 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.387 2.953 2.179 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.759 1.893 1.921 1.00 0.47 H new ATOM 537 N VAL A 38 -11.238 -0.508 5.461 1.00 0.29 N ATOM 538 CA VAL A 38 -10.098 -0.446 6.314 1.00 0.27 C ATOM 539 C VAL A 38 -9.014 -1.159 5.596 1.00 0.22 C ATOM 540 O VAL A 38 -8.991 -2.383 5.492 1.00 0.20 O ATOM 541 CB VAL A 38 -10.273 -1.131 7.662 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.285 -0.574 8.681 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.700 -1.028 8.158 1.00 0.77 C ATOM 0 H VAL A 38 -11.762 -1.382 5.509 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.900 0.605 6.527 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.058 -2.191 7.530 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.427 -1.077 9.638 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.267 -0.742 8.330 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.454 0.496 8.805 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.787 -1.528 9.123 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.972 0.022 8.268 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.370 -1.503 7.441 1.00 0.77 H new ATOM 553 N VAL A 39 -8.153 -0.380 5.093 1.00 0.22 N ATOM 554 CA VAL A 39 -7.032 -0.864 4.371 1.00 0.21 C ATOM 555 C VAL A 39 -5.814 -0.560 5.179 1.00 0.20 C ATOM 556 O VAL A 39 -5.447 0.598 5.384 1.00 0.23 O ATOM 557 CB VAL A 39 -6.854 -0.172 3.018 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.029 -1.034 2.073 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.191 0.212 2.408 1.00 0.24 C ATOM 0 H VAL A 39 -8.197 0.636 5.166 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.184 -1.929 4.194 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.304 0.754 3.185 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.916 -0.521 1.118 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.045 -1.212 2.508 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.534 -1.987 1.916 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.026 0.701 1.448 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.794 -0.684 2.260 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.714 0.895 3.078 1.00 0.24 H new ATOM 569 N LYS A 40 -5.207 -1.591 5.629 1.00 0.19 N ATOM 570 CA LYS A 40 -3.980 -1.484 6.320 1.00 0.20 C ATOM 571 C LYS A 40 -2.873 -1.894 5.422 1.00 0.19 C ATOM 572 O LYS A 40 -2.891 -2.936 4.759 1.00 0.21 O ATOM 573 CB LYS A 40 -3.982 -2.294 7.607 1.00 0.26 C ATOM 574 CG LYS A 40 -4.413 -3.742 7.429 1.00 0.31 C ATOM 575 CD LYS A 40 -3.236 -4.663 7.105 1.00 0.37 C ATOM 576 CE LYS A 40 -2.337 -4.872 8.311 1.00 0.86 C ATOM 577 NZ LYS A 40 -1.180 -5.748 7.988 1.00 1.54 N ATOM 0 H LYS A 40 -5.552 -2.545 5.527 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.834 -0.444 6.612 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.981 -2.274 8.037 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.647 -1.814 8.325 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.902 -4.088 8.340 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.150 -3.803 6.629 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.612 -5.626 6.760 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.655 -4.237 6.287 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.975 -3.907 8.667 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.914 -5.315 9.123 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -0.588 -5.868 8.835 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -1.525 -6.677 7.672 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -0.616 -5.313 7.231 1.00 1.54 H new ATOM 591 N TRP A 41 -1.961 -1.006 5.351 1.00 0.18 N ATOM 592 CA TRP A 41 -0.752 -1.232 4.641 1.00 0.19 C ATOM 593 C TRP A 41 0.246 -1.957 5.497 1.00 0.21 C ATOM 594 O TRP A 41 0.240 -1.870 6.725 1.00 0.28 O ATOM 595 CB TRP A 41 -0.179 0.081 4.167 1.00 0.21 C ATOM 596 CG TRP A 41 -0.945 0.657 3.043 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.072 1.410 3.126 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.657 0.491 1.661 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.462 1.790 1.860 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.625 1.212 0.950 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.340 -0.184 0.954 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.636 1.266 -0.429 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.323 -0.132 -0.423 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.662 0.590 -1.101 1.00 0.33 C ATOM 0 H TRP A 41 -2.027 -0.087 5.788 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.973 -1.857 3.776 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.167 0.789 4.996 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.856 -0.067 3.859 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.583 1.670 4.041 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.247 2.403 1.639 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.108 -0.735 1.475 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.392 1.826 -0.959 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.081 -0.656 -0.985 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.651 0.613 -2.181 1.00 0.33 H new ATOM 615 N PHE A 42 1.081 -2.680 4.819 1.00 0.21 N ATOM 616 CA PHE A 42 2.200 -3.340 5.421 1.00 0.23 C ATOM 617 C PHE A 42 3.369 -2.962 4.568 1.00 0.26 C ATOM 618 O PHE A 42 3.253 -2.916 3.351 1.00 0.34 O ATOM 619 CB PHE A 42 2.008 -4.858 5.449 1.00 0.26 C ATOM 620 CG PHE A 42 2.971 -5.593 6.337 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.748 -5.686 7.702 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.105 -6.184 5.805 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.636 -6.357 8.519 1.00 0.62 C ATOM 624 CE2 PHE A 42 4.998 -6.856 6.619 1.00 0.50 C ATOM 625 CZ PHE A 42 4.745 -6.960 7.981 1.00 0.60 C ATOM 0 H PHE A 42 1.004 -2.832 3.813 1.00 0.21 H new ATOM 0 HA PHE A 42 2.334 -3.042 6.461 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.992 -5.077 5.777 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.105 -5.242 4.434 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.869 -5.228 8.131 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.294 -6.119 4.744 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.458 -6.407 9.583 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.889 -7.298 6.198 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.420 -7.515 8.616 1.00 0.60 H new ATOM 635 N LYS A 43 4.456 -2.633 5.182 1.00 0.28 N ATOM 636 CA LYS A 43 5.587 -2.124 4.465 1.00 0.31 C ATOM 637 C LYS A 43 6.554 -3.285 4.383 1.00 0.39 C ATOM 638 O LYS A 43 6.328 -4.216 5.108 1.00 0.81 O ATOM 639 CB LYS A 43 6.188 -0.893 5.181 1.00 0.40 C ATOM 640 CG LYS A 43 7.429 -0.317 4.526 1.00 0.54 C ATOM 641 CD LYS A 43 7.808 1.013 5.146 1.00 0.67 C ATOM 642 CE LYS A 43 9.009 1.611 4.450 1.00 1.29 C ATOM 643 NZ LYS A 43 8.736 1.891 3.015 1.00 2.17 N ATOM 0 H LYS A 43 4.590 -2.707 6.190 1.00 0.28 H new ATOM 0 HA LYS A 43 5.326 -1.767 3.469 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.427 -0.114 5.233 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.431 -1.170 6.207 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.257 -1.019 4.629 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.253 -0.187 3.458 1.00 0.54 H new ATOM 0 HD2 LYS A 43 6.966 1.702 5.082 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.028 0.876 6.205 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.297 2.535 4.952 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.854 0.927 4.532 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.532 2.422 2.607 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.620 0.994 2.502 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 7.865 2.453 2.931 1.00 2.17 H new ATOM 657 N GLY A 44 7.603 -3.166 3.553 1.00 0.64 N ATOM 658 CA GLY A 44 8.681 -4.168 3.322 1.00 0.92 C ATOM 659 C GLY A 44 8.783 -5.408 4.233 1.00 0.39 C ATOM 660 O GLY A 44 7.852 -5.833 4.826 1.00 1.23 O ATOM 0 H GLY A 44 7.738 -2.326 2.990 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.579 -4.525 2.297 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.633 -3.641 3.382 1.00 0.92 H new ATOM 664 N LYS A 45 9.845 -6.159 4.059 1.00 0.85 N ATOM 665 CA LYS A 45 9.975 -7.522 4.606 1.00 1.06 C ATOM 666 C LYS A 45 9.552 -7.714 6.089 1.00 0.74 C ATOM 667 O LYS A 45 9.547 -8.847 6.575 1.00 0.82 O ATOM 668 CB LYS A 45 11.438 -7.938 4.441 1.00 1.67 C ATOM 669 CG LYS A 45 11.686 -8.781 3.199 1.00 2.44 C ATOM 670 CD LYS A 45 13.146 -9.159 3.055 1.00 2.82 C ATOM 671 CE LYS A 45 13.508 -10.330 3.953 1.00 2.98 C ATOM 672 NZ LYS A 45 12.797 -11.582 3.551 1.00 3.87 N ATOM 0 H LYS A 45 10.662 -5.853 3.530 1.00 0.85 H new ATOM 0 HA LYS A 45 9.275 -8.143 4.047 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.060 -7.044 4.395 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.751 -8.499 5.321 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.080 -9.686 3.247 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.365 -8.229 2.316 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.356 -9.417 2.017 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.771 -8.301 3.303 1.00 2.82 H new ATOM 0 HE2 LYS A 45 14.585 -10.496 3.916 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.258 -10.086 4.986 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 13.493 -12.334 3.370 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.157 -11.879 4.316 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 12.245 -11.406 2.687 1.00 3.87 H new ATOM 686 N TRP A 46 9.178 -6.648 6.797 1.00 0.58 N ATOM 687 CA TRP A 46 8.787 -6.763 8.200 1.00 0.57 C ATOM 688 C TRP A 46 8.027 -5.551 8.744 1.00 0.63 C ATOM 689 O TRP A 46 7.541 -5.573 9.879 1.00 0.74 O ATOM 690 CB TRP A 46 10.029 -6.918 9.034 1.00 0.76 C ATOM 691 CG TRP A 46 11.153 -6.042 8.580 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.996 -6.283 7.543 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.552 -4.794 9.146 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.876 -5.252 7.399 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.638 -4.322 8.381 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.098 -4.026 10.218 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.271 -3.115 8.657 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.728 -2.829 10.493 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.801 -2.381 9.713 1.00 2.11 C ATOM 0 H TRP A 46 9.138 -5.700 6.423 1.00 0.58 H new ATOM 0 HA TRP A 46 8.119 -7.622 8.256 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.793 -6.687 10.073 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.352 -7.959 9.004 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.973 -7.166 6.921 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.595 -5.183 6.679 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.268 -4.362 10.822 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.102 -2.769 8.061 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.388 -2.228 11.323 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.268 -1.436 9.949 1.00 2.11 H new ATOM 710 N VAL A 47 7.936 -4.512 7.951 1.00 0.63 N ATOM 711 CA VAL A 47 7.596 -3.224 8.409 1.00 0.74 C ATOM 712 C VAL A 47 6.116 -2.938 8.286 1.00 0.59 C ATOM 713 O VAL A 47 5.346 -3.634 7.634 1.00 0.57 O ATOM 714 CB VAL A 47 8.389 -2.140 7.646 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.222 -1.333 8.610 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.288 -2.733 6.564 1.00 1.29 C ATOM 0 H VAL A 47 8.104 -4.559 6.946 1.00 0.63 H new ATOM 0 HA VAL A 47 7.859 -3.196 9.466 1.00 0.74 H new ATOM 0 HB VAL A 47 7.660 -1.496 7.154 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.777 -0.572 8.062 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.570 -0.852 9.340 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.921 -1.991 9.126 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.824 -1.931 6.056 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.004 -3.416 7.020 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.678 -3.276 5.842 1.00 1.29 H new ATOM 726 N ASP A 48 5.783 -1.886 8.939 1.00 0.60 N ATOM 727 CA ASP A 48 4.481 -1.288 8.943 1.00 0.56 C ATOM 728 C ASP A 48 4.650 0.057 8.268 1.00 0.58 C ATOM 729 O ASP A 48 5.754 0.579 8.241 1.00 0.96 O ATOM 730 CB ASP A 48 3.986 -1.130 10.387 1.00 0.73 C ATOM 731 CG ASP A 48 2.619 -0.494 10.495 1.00 1.88 C ATOM 732 OD1 ASP A 48 2.545 0.746 10.519 1.00 2.22 O ATOM 733 OD2 ASP A 48 1.619 -1.234 10.585 1.00 2.73 O ATOM 0 H ASP A 48 6.448 -1.381 9.525 1.00 0.60 H new ATOM 0 HA ASP A 48 3.742 -1.896 8.421 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.959 -2.111 10.862 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.703 -0.526 10.943 1.00 0.73 H new ATOM 738 N LEU A 49 3.617 0.588 7.680 1.00 0.39 N ATOM 739 CA LEU A 49 3.698 1.917 7.111 1.00 0.35 C ATOM 740 C LEU A 49 3.232 2.975 8.075 1.00 0.41 C ATOM 741 O LEU A 49 3.856 4.015 8.161 1.00 0.44 O ATOM 742 CB LEU A 49 2.890 2.044 5.824 1.00 0.29 C ATOM 743 CG LEU A 49 3.536 1.514 4.547 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.052 0.137 4.188 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.199 2.421 3.416 1.00 0.28 C ATOM 0 H LEU A 49 2.711 0.131 7.578 1.00 0.39 H new ATOM 0 HA LEU A 49 4.754 2.072 6.888 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.943 1.524 5.966 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.656 3.098 5.673 1.00 0.29 H new ATOM 0 HG LEU A 49 4.610 1.469 4.726 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.542 -0.194 3.272 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.289 -0.554 4.997 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.973 0.159 4.035 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.658 2.047 2.501 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.117 2.459 3.290 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.575 3.422 3.628 1.00 0.28 H new ATOM 757 N SER A 50 2.203 2.685 8.844 1.00 0.48 N ATOM 758 CA SER A 50 1.521 3.685 9.646 1.00 0.58 C ATOM 759 C SER A 50 2.518 4.312 10.600 1.00 0.62 C ATOM 760 O SER A 50 2.326 5.419 11.102 1.00 0.70 O ATOM 761 CB SER A 50 0.374 3.024 10.419 1.00 0.73 C ATOM 762 OG SER A 50 -0.451 3.986 11.052 1.00 1.23 O ATOM 0 H SER A 50 1.813 1.747 8.932 1.00 0.48 H new ATOM 0 HA SER A 50 1.104 4.462 9.006 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.226 2.422 9.737 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.783 2.345 11.168 1.00 0.73 H new ATOM 0 HG SER A 50 -1.173 3.531 11.534 1.00 1.23 H new ATOM 768 N SER A 51 3.594 3.577 10.825 1.00 0.64 N ATOM 769 CA SER A 51 4.640 4.006 11.691 1.00 0.75 C ATOM 770 C SER A 51 5.652 4.916 10.993 1.00 0.72 C ATOM 771 O SER A 51 6.225 5.821 11.602 1.00 0.85 O ATOM 772 CB SER A 51 5.348 2.783 12.235 1.00 0.90 C ATOM 773 OG SER A 51 4.474 2.009 13.037 1.00 1.34 O ATOM 0 H SER A 51 3.752 2.663 10.402 1.00 0.64 H new ATOM 0 HA SER A 51 4.191 4.591 12.494 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.723 2.178 11.410 1.00 0.90 H new ATOM 0 HB3 SER A 51 6.213 3.090 12.824 1.00 0.90 H new ATOM 0 HG SER A 51 4.951 1.223 13.377 1.00 1.34 H new ATOM 779 N LYS A 52 5.853 4.658 9.717 1.00 0.62 N ATOM 780 CA LYS A 52 6.954 5.220 8.963 1.00 0.66 C ATOM 781 C LYS A 52 6.484 6.333 8.048 1.00 0.67 C ATOM 782 O LYS A 52 7.271 7.167 7.605 1.00 1.09 O ATOM 783 CB LYS A 52 7.559 4.119 8.114 1.00 0.65 C ATOM 784 CG LYS A 52 7.425 2.731 8.703 1.00 0.70 C ATOM 785 CD LYS A 52 8.103 2.571 10.063 1.00 0.78 C ATOM 786 CE LYS A 52 9.625 2.551 9.964 1.00 1.02 C ATOM 787 NZ LYS A 52 10.254 2.197 11.268 1.00 1.40 N ATOM 0 H LYS A 52 5.250 4.045 9.169 1.00 0.62 H new ATOM 0 HA LYS A 52 7.683 5.632 9.661 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.085 4.131 7.133 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.616 4.335 7.960 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.367 2.490 8.804 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.852 2.008 8.007 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.796 3.388 10.716 1.00 0.78 H new ATOM 0 HD3 LYS A 52 7.761 1.646 10.528 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.932 1.832 9.204 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.982 3.529 9.640 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 11.289 2.193 11.164 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 9.981 2.897 11.987 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 9.932 1.254 11.564 1.00 1.40 H new ATOM 801 N VAL A 53 5.218 6.229 7.708 1.00 0.34 N ATOM 802 CA VAL A 53 4.475 7.185 6.919 1.00 0.32 C ATOM 803 C VAL A 53 4.776 8.611 7.345 1.00 0.33 C ATOM 804 O VAL A 53 4.181 9.176 8.262 1.00 0.37 O ATOM 805 CB VAL A 53 2.967 6.857 7.008 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.080 7.962 6.469 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.664 5.599 6.242 1.00 0.35 C ATOM 0 H VAL A 53 4.649 5.431 7.991 1.00 0.34 H new ATOM 0 HA VAL A 53 4.785 7.108 5.877 1.00 0.32 H new ATOM 0 HB VAL A 53 2.750 6.737 8.069 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.035 7.667 6.561 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.251 8.876 7.038 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.316 8.139 5.420 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.599 5.378 6.312 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.938 5.735 5.196 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.235 4.771 6.662 1.00 0.35 H new ATOM 817 N GLY A 54 5.784 9.118 6.692 1.00 0.35 N ATOM 818 CA GLY A 54 6.215 10.485 6.871 1.00 0.41 C ATOM 819 C GLY A 54 6.934 11.035 5.651 1.00 0.44 C ATOM 820 O GLY A 54 6.334 11.173 4.593 1.00 0.70 O ATOM 0 H GLY A 54 6.337 8.594 6.014 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.349 11.109 7.090 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.877 10.543 7.735 1.00 0.41 H new ATOM 824 N GLN A 55 8.223 11.323 5.785 1.00 0.36 N ATOM 825 CA GLN A 55 8.965 12.010 4.729 1.00 0.43 C ATOM 826 C GLN A 55 9.582 11.031 3.733 1.00 0.39 C ATOM 827 O GLN A 55 9.743 11.353 2.558 1.00 0.50 O ATOM 828 CB GLN A 55 10.061 12.886 5.337 1.00 0.61 C ATOM 829 CG GLN A 55 10.779 13.757 4.318 1.00 1.43 C ATOM 830 CD GLN A 55 11.875 14.590 4.944 1.00 2.08 C ATOM 831 OE1 GLN A 55 11.636 15.709 5.395 1.00 2.75 O ATOM 832 NE2 GLN A 55 13.085 14.061 4.965 1.00 2.69 N ATOM 0 H GLN A 55 8.777 11.094 6.610 1.00 0.36 H new ATOM 0 HA GLN A 55 8.254 12.634 4.187 1.00 0.43 H new ATOM 0 HB2 GLN A 55 9.621 13.525 6.103 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.791 12.247 5.835 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.206 13.124 3.540 1.00 1.43 H new ATOM 0 HG3 GLN A 55 10.058 14.415 3.834 1.00 1.43 H new ATOM 0 HE21 GLN A 55 13.241 13.129 4.580 1.00 2.69 H new ATOM 0 HE22 GLN A 55 13.863 14.584 5.366 1.00 2.69 H new ATOM 841 N HIS A 56 9.939 9.844 4.196 1.00 0.36 N ATOM 842 CA HIS A 56 10.567 8.854 3.315 1.00 0.41 C ATOM 843 C HIS A 56 9.516 7.963 2.655 1.00 0.35 C ATOM 844 O HIS A 56 9.649 7.553 1.512 1.00 0.42 O ATOM 845 CB HIS A 56 11.582 8.001 4.082 1.00 0.54 C ATOM 846 CG HIS A 56 10.991 7.188 5.189 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.440 5.943 4.985 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.841 7.455 6.507 1.00 1.06 C ATOM 849 CE1 HIS A 56 9.969 5.480 6.125 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.204 6.377 7.065 1.00 1.33 N ATOM 0 H HIS A 56 9.810 9.539 5.161 1.00 0.36 H new ATOM 0 HA HIS A 56 11.097 9.397 2.533 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.080 7.331 3.381 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.349 8.655 4.497 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.162 8.348 7.022 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.475 4.530 6.266 1.00 1.11 H new ATOM 0 HE2 HIS A 56 9.952 6.283 8.049 1.00 1.33 H new ATOM 859 N LEU A 57 8.497 7.654 3.421 1.00 0.28 N ATOM 860 CA LEU A 57 7.342 6.914 2.966 1.00 0.25 C ATOM 861 C LEU A 57 6.139 7.746 3.323 1.00 0.23 C ATOM 862 O LEU A 57 5.782 7.839 4.477 1.00 0.29 O ATOM 863 CB LEU A 57 7.335 5.532 3.696 1.00 0.38 C ATOM 864 CG LEU A 57 6.082 4.620 3.718 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.651 4.387 5.146 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.916 5.135 2.886 1.00 1.10 C ATOM 0 H LEU A 57 8.446 7.917 4.405 1.00 0.28 H new ATOM 0 HA LEU A 57 7.347 6.724 1.893 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.144 4.944 3.263 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.602 5.724 4.735 1.00 0.38 H new ATOM 0 HG LEU A 57 6.377 3.681 3.250 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.770 3.746 5.160 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.459 3.905 5.696 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.412 5.342 5.614 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.082 4.437 2.957 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.606 6.111 3.259 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.224 5.226 1.845 1.00 1.10 H new ATOM 878 N GLN A 58 5.536 8.356 2.336 1.00 0.20 N ATOM 879 CA GLN A 58 4.249 8.910 2.493 1.00 0.21 C ATOM 880 C GLN A 58 3.277 7.884 1.993 1.00 0.18 C ATOM 881 O GLN A 58 3.264 7.539 0.814 1.00 0.19 O ATOM 882 CB GLN A 58 4.089 10.183 1.668 1.00 0.27 C ATOM 883 CG GLN A 58 5.151 11.238 1.908 1.00 0.46 C ATOM 884 CD GLN A 58 6.379 11.087 1.033 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.434 11.628 -0.071 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.381 10.391 1.527 1.00 0.28 N ATOM 0 H GLN A 58 5.938 8.474 1.406 1.00 0.20 H new ATOM 0 HA GLN A 58 4.080 9.167 3.539 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.095 9.917 0.611 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.112 10.617 1.882 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.715 12.223 1.738 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.456 11.201 2.954 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.297 9.958 2.446 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.242 10.285 0.990 1.00 0.28 H new ATOM 895 N LEU A 59 2.487 7.409 2.886 1.00 0.20 N ATOM 896 CA LEU A 59 1.366 6.580 2.543 1.00 0.20 C ATOM 897 C LEU A 59 0.176 7.520 2.580 1.00 0.21 C ATOM 898 O LEU A 59 -0.412 7.779 3.629 1.00 0.23 O ATOM 899 CB LEU A 59 1.229 5.401 3.549 1.00 0.23 C ATOM 900 CG LEU A 59 0.260 4.259 3.231 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.019 3.538 4.530 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.011 4.751 2.570 1.00 0.23 C ATOM 0 H LEU A 59 2.592 7.580 3.886 1.00 0.20 H new ATOM 0 HA LEU A 59 1.465 6.108 1.565 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.219 4.965 3.680 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.936 5.822 4.511 1.00 0.23 H new ATOM 0 HG LEU A 59 0.708 3.578 2.508 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.708 2.713 4.348 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.914 3.148 4.937 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.464 4.232 5.243 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.666 3.904 2.364 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.520 5.450 3.234 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.764 5.254 1.635 1.00 0.23 H new ATOM 914 N HIS A 60 -0.119 8.075 1.427 1.00 0.22 N ATOM 915 CA HIS A 60 -1.196 8.986 1.259 1.00 0.25 C ATOM 916 C HIS A 60 -2.478 8.241 1.102 1.00 0.24 C ATOM 917 O HIS A 60 -2.513 7.054 0.798 1.00 0.26 O ATOM 918 CB HIS A 60 -1.036 9.858 0.018 1.00 0.37 C ATOM 919 CG HIS A 60 0.055 10.880 0.055 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.421 11.589 -1.064 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.834 11.344 1.064 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.377 12.441 -0.754 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.649 12.318 0.532 1.00 2.03 N ATOM 0 H HIS A 60 0.402 7.893 0.569 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.200 9.618 2.147 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.862 9.205 -0.837 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.980 10.373 -0.161 1.00 0.37 H new ATOM 0 HD1 HIS A 60 0.015 11.473 -1.992 1.00 1.48 H new ATOM 0 HD2 HIS A 60 0.818 11.012 2.092 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.858 13.125 -1.437 1.00 1.91 H new ATOM 932 N ASP A 61 -3.500 8.974 1.315 1.00 0.29 N ATOM 933 CA ASP A 61 -4.832 8.567 1.023 1.00 0.32 C ATOM 934 C ASP A 61 -5.523 9.674 0.299 1.00 0.35 C ATOM 935 O ASP A 61 -5.746 10.769 0.820 1.00 0.48 O ATOM 936 CB ASP A 61 -5.651 8.187 2.236 1.00 0.44 C ATOM 937 CG ASP A 61 -5.540 9.146 3.405 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.431 9.312 3.953 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.576 9.713 3.808 1.00 0.92 O ATOM 0 H ASP A 61 -3.438 9.911 1.713 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.752 7.665 0.416 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.698 8.115 1.942 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.344 7.195 2.568 1.00 0.44 H new ATOM 944 N SER A 62 -5.803 9.379 -0.916 1.00 0.29 N ATOM 945 CA SER A 62 -6.590 10.245 -1.747 1.00 0.32 C ATOM 946 C SER A 62 -8.013 9.791 -1.646 1.00 0.32 C ATOM 947 O SER A 62 -8.281 8.609 -1.447 1.00 0.41 O ATOM 948 CB SER A 62 -6.140 10.215 -3.201 1.00 0.40 C ATOM 949 OG SER A 62 -4.729 10.114 -3.306 1.00 0.47 O ATOM 0 H SER A 62 -5.494 8.523 -1.377 1.00 0.29 H new ATOM 0 HA SER A 62 -6.472 11.273 -1.404 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.605 9.371 -3.710 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.480 11.119 -3.707 1.00 0.40 H new ATOM 0 HG SER A 62 -4.445 9.212 -3.048 1.00 0.47 H new ATOM 955 N TYR A 63 -8.919 10.710 -1.765 1.00 0.38 N ATOM 956 CA TYR A 63 -10.303 10.390 -1.599 1.00 0.45 C ATOM 957 C TYR A 63 -11.142 11.105 -2.611 1.00 0.47 C ATOM 958 O TYR A 63 -11.485 12.284 -2.477 1.00 0.54 O ATOM 959 CB TYR A 63 -10.750 10.665 -0.172 1.00 0.64 C ATOM 960 CG TYR A 63 -12.254 10.674 0.032 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.033 9.600 -0.379 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.895 11.752 0.630 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.403 9.599 -0.200 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.265 11.757 0.813 1.00 1.06 C ATOM 965 CZ TYR A 63 -15.012 10.702 0.419 1.00 1.07 C ATOM 966 OH TYR A 63 -16.379 10.680 0.577 1.00 1.39 O ATOM 0 H TYR A 63 -8.726 11.689 -1.977 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.440 9.323 -1.776 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.313 9.911 0.483 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.349 11.629 0.140 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.559 8.750 -0.847 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.313 12.601 0.957 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.998 8.761 -0.532 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.742 12.610 1.274 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.670 11.504 1.020 1.00 1.39 H new ATOM 976 N ASP A 64 -11.437 10.362 -3.639 1.00 0.47 N ATOM 977 CA ASP A 64 -12.300 10.827 -4.692 1.00 0.57 C ATOM 978 C ASP A 64 -13.543 9.990 -4.721 1.00 0.57 C ATOM 979 O ASP A 64 -13.509 8.773 -4.896 1.00 0.63 O ATOM 980 CB ASP A 64 -11.629 10.776 -6.037 1.00 0.71 C ATOM 981 CG ASP A 64 -12.357 11.585 -7.086 1.00 1.53 C ATOM 982 OD1 ASP A 64 -13.434 11.145 -7.531 1.00 2.42 O ATOM 983 OD2 ASP A 64 -11.844 12.655 -7.476 1.00 2.00 O ATOM 0 H ASP A 64 -11.086 9.414 -3.773 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.546 11.868 -4.485 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -10.608 11.146 -5.943 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.563 9.739 -6.366 1.00 0.71 H new ATOM 988 N ARG A 65 -14.621 10.665 -4.543 1.00 0.60 N ATOM 989 CA ARG A 65 -15.926 10.046 -4.465 1.00 0.64 C ATOM 990 C ARG A 65 -16.494 9.778 -5.845 1.00 0.74 C ATOM 991 O ARG A 65 -17.172 8.774 -6.064 1.00 0.88 O ATOM 992 CB ARG A 65 -16.879 10.921 -3.665 1.00 0.74 C ATOM 993 CG ARG A 65 -17.524 10.149 -2.551 1.00 0.86 C ATOM 994 CD ARG A 65 -18.280 8.958 -3.110 1.00 1.00 C ATOM 995 NE ARG A 65 -19.683 9.274 -3.390 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.356 8.828 -4.451 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.742 8.120 -5.388 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.644 9.107 -4.583 1.00 2.07 N ATOM 0 H ARG A 65 -14.638 11.680 -4.444 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.811 9.088 -3.957 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.336 11.772 -3.254 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.648 11.322 -4.325 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.765 9.809 -1.847 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.206 10.795 -1.998 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.796 8.620 -4.026 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.230 8.132 -2.400 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.177 9.874 -2.730 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.747 7.912 -5.301 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.264 7.783 -6.197 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.121 9.663 -3.873 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.159 8.766 -5.395 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.199 10.669 -6.762 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.656 10.550 -8.139 1.00 0.93 C ATOM 1014 C ALA A 66 -16.005 9.353 -8.810 1.00 0.83 C ATOM 1015 O ALA A 66 -16.568 8.747 -9.724 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.358 11.826 -8.911 1.00 1.15 C ATOM 0 H ALA A 66 -15.635 11.500 -6.581 1.00 0.80 H new ATOM 0 HA ALA A 66 -17.735 10.397 -8.135 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.706 11.719 -9.938 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -16.870 12.665 -8.439 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.284 12.010 -8.909 1.00 1.15 H new ATOM 1022 N SER A 67 -14.815 9.023 -8.348 1.00 0.72 N ATOM 1023 CA SER A 67 -14.120 7.843 -8.811 1.00 0.72 C ATOM 1024 C SER A 67 -14.414 6.693 -7.860 1.00 0.58 C ATOM 1025 O SER A 67 -14.208 5.526 -8.198 1.00 0.63 O ATOM 1026 CB SER A 67 -12.614 8.116 -8.887 1.00 0.83 C ATOM 1027 OG SER A 67 -11.920 7.057 -9.527 1.00 1.41 O ATOM 0 H SER A 67 -14.308 9.562 -7.646 1.00 0.72 H new ATOM 0 HA SER A 67 -14.464 7.577 -9.810 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.440 9.045 -9.429 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.218 8.255 -7.881 1.00 0.83 H new ATOM 0 HG SER A 67 -10.963 7.265 -9.559 1.00 1.41 H new ATOM 1033 N LYS A 68 -14.896 7.055 -6.667 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.241 6.101 -5.622 1.00 0.50 C ATOM 1035 C LYS A 68 -13.996 5.346 -5.216 1.00 0.44 C ATOM 1036 O LYS A 68 -14.030 4.154 -4.934 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.295 5.126 -6.117 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.098 4.476 -5.005 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.754 3.190 -5.470 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.854 1.987 -5.215 1.00 2.27 C ATOM 1041 NZ LYS A 68 -17.426 0.749 -5.801 1.00 3.31 N ATOM 0 H LYS A 68 -15.057 8.027 -6.403 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.646 6.639 -4.765 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -16.977 5.651 -6.786 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.809 4.347 -6.705 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.445 4.267 -4.158 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.863 5.169 -4.654 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.702 3.054 -4.950 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.981 3.259 -6.534 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -15.868 2.171 -5.642 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.717 1.854 -4.142 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -16.951 -0.081 -5.392 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.444 0.704 -5.591 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -17.285 0.755 -6.831 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.896 6.055 -5.196 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.626 5.466 -4.874 1.00 0.31 C ATOM 1057 C VAL A 69 -10.922 6.252 -3.800 1.00 0.29 C ATOM 1058 O VAL A 69 -10.810 7.480 -3.846 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.678 5.396 -6.077 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.412 4.646 -5.710 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.341 4.754 -7.284 1.00 0.43 C ATOM 0 H VAL A 69 -12.858 7.053 -5.402 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.856 4.455 -4.537 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.420 6.419 -6.350 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.750 4.605 -6.575 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.909 5.160 -4.891 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.666 3.633 -5.400 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.635 4.724 -8.114 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.649 3.739 -7.033 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.215 5.338 -7.572 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.472 5.515 -2.840 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.478 5.982 -1.921 1.00 0.25 C ATOM 1073 C TYR A 70 -8.158 5.508 -2.466 1.00 0.22 C ATOM 1074 O TYR A 70 -7.830 4.323 -2.416 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.627 5.432 -0.509 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.994 5.567 0.130 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.996 6.263 -0.526 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.290 4.997 1.360 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.257 6.392 0.024 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.546 5.117 1.917 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.475 5.816 1.357 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.782 5.930 1.796 1.00 0.93 O ATOM 0 H TYR A 70 -10.785 4.560 -2.666 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.570 7.065 -1.838 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.361 4.375 -0.525 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.901 5.934 0.131 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.788 6.713 -1.485 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.524 4.450 1.890 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.051 6.897 -0.506 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -12.758 4.612 2.848 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.388 5.921 1.026 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.435 6.421 -3.020 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.182 6.106 -3.639 1.00 0.19 C ATOM 1094 C LEU A 71 -5.080 6.375 -2.664 1.00 0.20 C ATOM 1095 O LEU A 71 -4.706 7.513 -2.388 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.959 6.894 -4.936 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.523 6.838 -5.494 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -4.018 5.399 -5.605 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.449 7.524 -6.850 1.00 0.52 C ATOM 0 H LEU A 71 -7.691 7.408 -3.059 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.191 5.051 -3.914 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.643 6.515 -5.696 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.224 7.937 -4.760 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.879 7.367 -4.792 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -3.003 5.399 -6.002 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.022 4.935 -4.619 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.669 4.836 -6.274 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.428 7.474 -7.228 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -5.119 7.023 -7.548 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.747 8.567 -6.747 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.572 5.310 -2.156 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.459 5.354 -1.282 1.00 0.21 C ATOM 1113 C PHE A 72 -2.212 5.375 -2.124 1.00 0.23 C ATOM 1114 O PHE A 72 -1.901 4.435 -2.863 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.468 4.161 -0.356 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.655 4.093 0.566 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.815 3.436 0.183 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.616 4.695 1.815 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -6.908 3.378 1.027 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.704 4.639 2.663 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.848 3.958 2.274 1.00 0.30 C ATOM 0 H PHE A 72 -4.924 4.370 -2.339 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.500 6.247 -0.658 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.438 3.252 -0.956 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.558 4.177 0.244 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -5.865 2.964 -0.787 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.723 5.215 2.128 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.810 2.877 0.708 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.664 5.124 3.627 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.689 3.883 2.947 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.539 6.470 -2.022 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.356 6.730 -2.803 1.00 0.26 C ATOM 1133 C GLU A 73 0.845 6.630 -1.916 1.00 0.20 C ATOM 1134 O GLU A 73 0.993 7.372 -0.943 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.342 8.119 -3.415 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.702 8.666 -3.809 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.630 10.131 -4.183 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -1.073 10.925 -3.383 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -2.109 10.501 -5.275 1.00 1.09 O ATOM 0 H GLU A 73 -1.791 7.228 -1.387 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.346 5.995 -3.608 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.116 8.807 -2.705 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.295 8.103 -4.299 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.094 8.095 -4.650 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.400 8.536 -2.982 1.00 0.59 H new ATOM 1146 N LEU A 74 1.696 5.730 -2.265 1.00 0.21 N ATOM 1147 CA LEU A 74 2.927 5.552 -1.577 1.00 0.21 C ATOM 1148 C LEU A 74 3.955 6.363 -2.266 1.00 0.20 C ATOM 1149 O LEU A 74 4.238 6.177 -3.449 1.00 0.25 O ATOM 1150 CB LEU A 74 3.414 4.116 -1.603 1.00 0.27 C ATOM 1151 CG LEU A 74 2.536 3.117 -0.871 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.384 3.561 0.563 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.180 2.994 -1.540 1.00 0.96 C ATOM 0 H LEU A 74 1.556 5.089 -3.046 1.00 0.21 H new ATOM 0 HA LEU A 74 2.766 5.845 -0.540 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.506 3.800 -2.642 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.414 4.081 -1.170 1.00 0.27 H new ATOM 0 HG LEU A 74 3.006 2.134 -0.902 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.755 2.851 1.099 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.365 3.606 1.036 1.00 0.85 H new ATOM 0 HD13 LEU A 74 1.922 4.548 0.591 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.570 2.272 -0.996 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.683 3.964 -1.537 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.311 2.657 -2.568 1.00 0.96 H new ATOM 1165 N HIS A 75 4.515 7.240 -1.540 1.00 0.18 N ATOM 1166 CA HIS A 75 5.690 7.886 -2.005 1.00 0.19 C ATOM 1167 C HIS A 75 6.752 7.451 -1.066 1.00 0.19 C ATOM 1168 O HIS A 75 6.909 7.991 0.024 1.00 0.19 O ATOM 1169 CB HIS A 75 5.546 9.411 -2.044 1.00 0.23 C ATOM 1170 CG HIS A 75 4.655 9.912 -3.143 1.00 0.39 C ATOM 1171 ND1 HIS A 75 5.087 10.101 -4.437 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.348 10.274 -3.133 1.00 1.15 C ATOM 1173 CE1 HIS A 75 4.092 10.561 -5.172 1.00 0.88 C ATOM 1174 NE2 HIS A 75 3.024 10.675 -4.406 1.00 0.94 N ATOM 0 H HIS A 75 4.188 7.535 -0.620 1.00 0.18 H new ATOM 0 HA HIS A 75 5.917 7.614 -3.036 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.153 9.753 -1.087 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.534 9.856 -2.160 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.684 10.251 -2.281 1.00 1.15 H new ATOM 0 HE1 HIS A 75 4.143 10.803 -6.223 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.108 11.006 -4.709 1.00 0.94 H new ATOM 1183 N ILE A 76 7.449 6.433 -1.475 1.00 0.21 N ATOM 1184 CA ILE A 76 8.462 5.870 -0.651 1.00 0.23 C ATOM 1185 C ILE A 76 9.771 5.945 -1.364 1.00 0.25 C ATOM 1186 O ILE A 76 10.091 5.157 -2.225 1.00 0.28 O ATOM 1187 CB ILE A 76 8.133 4.428 -0.307 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.764 4.345 0.356 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.195 3.827 0.593 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.309 2.932 0.630 1.00 0.52 C ATOM 0 H ILE A 76 7.329 5.978 -2.380 1.00 0.21 H new ATOM 0 HA ILE A 76 8.520 6.434 0.280 1.00 0.23 H new ATOM 0 HB ILE A 76 8.112 3.853 -1.233 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.790 4.898 1.295 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.030 4.837 -0.283 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.934 2.794 0.824 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.159 3.853 0.086 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.256 4.401 1.518 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.327 2.951 1.103 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.249 2.381 -0.308 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.022 2.443 1.294 1.00 0.52 H new ATOM 1202 N THR A 77 10.519 6.894 -0.990 1.00 0.24 N ATOM 1203 CA THR A 77 11.740 7.152 -1.608 1.00 0.26 C ATOM 1204 C THR A 77 12.837 6.688 -0.730 1.00 0.36 C ATOM 1205 O THR A 77 12.676 6.493 0.479 1.00 0.58 O ATOM 1206 CB THR A 77 11.919 8.635 -1.934 1.00 0.32 C ATOM 1207 OG1 THR A 77 12.116 9.404 -0.738 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.704 9.137 -2.675 1.00 0.37 C ATOM 0 H THR A 77 10.292 7.529 -0.225 1.00 0.24 H new ATOM 0 HA THR A 77 11.761 6.611 -2.554 1.00 0.26 H new ATOM 0 HB THR A 77 12.804 8.750 -2.560 1.00 0.32 H new ATOM 0 HG1 THR A 77 13.075 9.478 -0.551 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.831 10.194 -2.908 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.584 8.574 -3.600 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.819 9.006 -2.053 1.00 0.37 H new ATOM 1216 N ASP A 78 13.921 6.512 -1.384 1.00 0.30 N ATOM 1217 CA ASP A 78 15.158 6.100 -0.789 1.00 0.45 C ATOM 1218 C ASP A 78 14.962 4.894 0.094 1.00 0.45 C ATOM 1219 O ASP A 78 14.956 4.966 1.325 1.00 0.70 O ATOM 1220 CB ASP A 78 15.735 7.202 0.018 1.00 0.61 C ATOM 1221 CG ASP A 78 15.847 8.521 -0.719 1.00 1.44 C ATOM 1222 OD1 ASP A 78 16.887 8.744 -1.384 1.00 1.97 O ATOM 1223 OD2 ASP A 78 14.896 9.323 -0.660 1.00 2.12 O ATOM 0 H ASP A 78 13.986 6.654 -2.392 1.00 0.30 H new ATOM 0 HA ASP A 78 15.841 5.839 -1.597 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.120 7.347 0.906 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.726 6.905 0.361 1.00 0.61 H new ATOM 1228 N ALA A 79 14.778 3.804 -0.568 1.00 0.37 N ATOM 1229 CA ALA A 79 14.524 2.532 0.074 1.00 0.34 C ATOM 1230 C ALA A 79 15.724 2.072 0.882 1.00 0.38 C ATOM 1231 O ALA A 79 16.838 1.982 0.367 1.00 0.40 O ATOM 1232 CB ALA A 79 14.156 1.481 -0.957 1.00 0.34 C ATOM 0 H ALA A 79 14.797 3.756 -1.587 1.00 0.37 H new ATOM 0 HA ALA A 79 13.686 2.667 0.758 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.968 0.531 -0.457 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.259 1.794 -1.491 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.976 1.363 -1.665 1.00 0.34 H new ATOM 1238 N GLN A 80 15.490 1.830 2.159 1.00 0.47 N ATOM 1239 CA GLN A 80 16.472 1.196 3.019 1.00 0.55 C ATOM 1240 C GLN A 80 16.805 -0.193 2.484 1.00 0.43 C ATOM 1241 O GLN A 80 15.910 -0.944 2.103 1.00 0.43 O ATOM 1242 CB GLN A 80 15.911 1.101 4.437 1.00 0.74 C ATOM 1243 CG GLN A 80 16.698 0.187 5.357 1.00 0.78 C ATOM 1244 CD GLN A 80 17.493 0.951 6.399 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.990 1.244 7.481 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.737 1.284 6.087 1.00 1.43 N ATOM 0 H GLN A 80 14.616 2.067 2.628 1.00 0.47 H new ATOM 0 HA GLN A 80 17.386 1.789 3.036 1.00 0.55 H new ATOM 0 HB2 GLN A 80 15.883 2.100 4.872 1.00 0.74 H new ATOM 0 HB3 GLN A 80 14.881 0.747 4.385 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.012 -0.496 5.858 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.378 -0.423 4.762 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.122 1.024 5.179 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.310 1.800 6.755 1.00 1.43 H new ATOM 1255 N PRO A 81 18.097 -0.559 2.476 1.00 0.42 N ATOM 1256 CA PRO A 81 18.572 -1.840 1.924 1.00 0.44 C ATOM 1257 C PRO A 81 18.062 -3.052 2.695 1.00 0.54 C ATOM 1258 O PRO A 81 18.317 -4.194 2.318 1.00 1.33 O ATOM 1259 CB PRO A 81 20.093 -1.743 2.054 1.00 0.50 C ATOM 1260 CG PRO A 81 20.325 -0.735 3.123 1.00 0.57 C ATOM 1261 CD PRO A 81 19.207 0.253 2.996 1.00 0.49 C ATOM 0 HA PRO A 81 18.216 -1.985 0.904 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.529 -2.706 2.319 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.550 -1.434 1.114 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.325 -1.202 4.108 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.293 -0.249 3.000 1.00 0.57 H new ATOM 0 HD2 PRO A 81 18.959 0.706 3.956 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.464 1.066 2.317 1.00 0.49 H new ATOM 1269 N ALA A 82 17.340 -2.797 3.767 1.00 0.81 N ATOM 1270 CA ALA A 82 16.797 -3.859 4.586 1.00 0.88 C ATOM 1271 C ALA A 82 15.281 -3.923 4.466 1.00 0.77 C ATOM 1272 O ALA A 82 14.617 -4.595 5.254 1.00 0.91 O ATOM 1273 CB ALA A 82 17.207 -3.659 6.036 1.00 1.12 C ATOM 0 H ALA A 82 17.115 -1.857 4.092 1.00 0.81 H new ATOM 0 HA ALA A 82 17.201 -4.807 4.230 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.794 -4.463 6.645 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.294 -3.669 6.111 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.827 -2.702 6.393 1.00 1.12 H new ATOM 1279 N PHE A 83 14.718 -3.228 3.477 1.00 0.64 N ATOM 1280 CA PHE A 83 13.288 -3.216 3.315 1.00 0.68 C ATOM 1281 C PHE A 83 12.830 -4.380 2.476 1.00 0.76 C ATOM 1282 O PHE A 83 11.810 -4.973 2.806 1.00 1.24 O ATOM 1283 CB PHE A 83 12.834 -1.906 2.678 1.00 0.74 C ATOM 1284 CG PHE A 83 12.613 -0.767 3.641 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.329 -1.034 4.970 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.693 0.564 3.233 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.123 -0.007 5.873 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.489 1.592 4.134 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.212 1.369 5.384 1.00 0.88 C ATOM 0 H PHE A 83 15.234 -2.677 2.791 1.00 0.64 H new ATOM 0 HA PHE A 83 12.838 -3.305 4.304 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.579 -1.600 1.943 1.00 0.74 H new ATOM 0 HB3 PHE A 83 11.906 -2.087 2.135 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.268 -2.059 5.306 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.917 0.794 2.202 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.903 -0.215 6.910 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.562 2.613 3.788 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.048 2.196 6.059 1.00 0.88 H new ATOM 1299 N THR A 84 13.632 -4.726 1.450 1.00 0.55 N ATOM 1300 CA THR A 84 13.251 -5.648 0.388 1.00 0.58 C ATOM 1301 C THR A 84 11.758 -5.926 0.430 1.00 0.80 C ATOM 1302 O THR A 84 11.293 -6.967 0.885 1.00 1.22 O ATOM 1303 CB THR A 84 14.075 -6.926 0.460 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.469 -6.598 0.366 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.692 -7.891 -0.656 1.00 1.17 C ATOM 0 H THR A 84 14.578 -4.360 1.344 1.00 0.55 H new ATOM 0 HA THR A 84 13.466 -5.182 -0.573 1.00 0.58 H new ATOM 0 HB THR A 84 13.873 -7.416 1.412 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.002 -7.419 0.414 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.297 -8.795 -0.579 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.637 -8.151 -0.566 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.867 -7.418 -1.622 1.00 1.17 H new ATOM 1313 N GLY A 85 11.053 -4.902 -0.008 1.00 0.87 N ATOM 1314 CA GLY A 85 9.671 -4.719 0.217 1.00 1.43 C ATOM 1315 C GLY A 85 8.863 -5.953 0.201 1.00 0.96 C ATOM 1316 O GLY A 85 8.911 -6.769 -0.698 1.00 1.29 O ATOM 0 H GLY A 85 11.469 -4.149 -0.556 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.538 -4.229 1.182 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.283 -4.040 -0.542 1.00 1.43 H new ATOM 1320 N GLY A 86 8.201 -6.090 1.267 1.00 0.52 N ATOM 1321 CA GLY A 86 7.053 -6.900 1.313 1.00 0.52 C ATOM 1322 C GLY A 86 5.908 -6.063 1.794 1.00 0.40 C ATOM 1323 O GLY A 86 5.467 -6.163 2.930 1.00 0.43 O ATOM 0 H GLY A 86 8.438 -5.639 2.151 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.837 -7.309 0.326 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.212 -7.747 1.981 1.00 0.52 H new ATOM 1327 N TYR A 87 5.528 -5.144 0.949 1.00 0.34 N ATOM 1328 CA TYR A 87 4.401 -4.280 1.209 1.00 0.28 C ATOM 1329 C TYR A 87 3.111 -5.073 1.006 1.00 0.30 C ATOM 1330 O TYR A 87 2.764 -5.425 -0.121 1.00 0.39 O ATOM 1331 CB TYR A 87 4.430 -3.083 0.262 1.00 0.35 C ATOM 1332 CG TYR A 87 5.651 -2.214 0.439 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.871 -2.568 -0.126 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.586 -1.045 1.182 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.991 -1.783 0.047 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.702 -0.254 1.354 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.900 -0.629 0.787 1.00 0.54 C ATOM 1338 OH TYR A 87 9.016 0.155 0.968 1.00 0.63 O ATOM 0 H TYR A 87 5.991 -4.970 0.057 1.00 0.34 H new ATOM 0 HA TYR A 87 4.450 -3.914 2.234 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.393 -3.441 -0.767 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.536 -2.480 0.422 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.943 -3.473 -0.710 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.649 -0.750 1.632 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.932 -2.073 -0.396 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.637 0.656 1.931 1.00 0.54 H new ATOM 0 HH TYR A 87 9.597 -0.253 1.644 1.00 0.63 H new ATOM 1348 N ARG A 88 2.419 -5.384 2.086 1.00 0.33 N ATOM 1349 CA ARG A 88 1.217 -6.190 1.992 1.00 0.36 C ATOM 1350 C ARG A 88 -0.001 -5.329 2.277 1.00 0.36 C ATOM 1351 O ARG A 88 -0.233 -4.932 3.416 1.00 0.60 O ATOM 1352 CB ARG A 88 1.266 -7.353 2.990 1.00 0.42 C ATOM 1353 CG ARG A 88 2.266 -8.441 2.641 1.00 1.09 C ATOM 1354 CD ARG A 88 2.352 -9.481 3.754 1.00 1.23 C ATOM 1355 NE ARG A 88 1.025 -9.892 4.233 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.766 -11.051 4.846 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.735 -11.943 5.035 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -0.469 -11.313 5.273 1.00 3.15 N ATOM 0 H ARG A 88 2.666 -5.093 3.032 1.00 0.33 H new ATOM 0 HA ARG A 88 1.151 -6.597 0.983 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.508 -6.958 3.977 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.273 -7.798 3.059 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.973 -8.924 1.709 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.248 -7.998 2.475 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.892 -10.355 3.391 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.927 -9.074 4.586 1.00 1.23 H new ATOM 0 HE ARG A 88 0.248 -9.248 4.088 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.682 -11.744 4.711 1.00 2.11 H new ATOM 0 HH12 ARG A 88 1.531 -12.826 5.504 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.213 -10.630 5.132 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -0.670 -12.197 5.741 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.765 -5.011 1.254 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.974 -4.234 1.452 1.00 0.27 C ATOM 1374 C CYS A 89 -3.139 -5.160 1.676 1.00 0.25 C ATOM 1375 O CYS A 89 -3.500 -5.943 0.799 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.251 -3.358 0.255 1.00 0.39 C ATOM 1377 SG CYS A 89 -0.765 -2.952 -0.663 1.00 1.08 S ATOM 0 H CYS A 89 -0.576 -5.274 0.287 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.835 -3.596 2.325 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -2.955 -3.864 -0.406 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.731 -2.437 0.587 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.310 -1.801 -0.265 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.706 -5.077 2.849 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.800 -5.935 3.218 1.00 0.28 C ATOM 1385 C GLU A 90 -6.000 -5.077 3.605 1.00 0.26 C ATOM 1386 O GLU A 90 -6.026 -4.481 4.682 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.369 -6.833 4.384 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.105 -7.634 4.101 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.538 -8.316 5.333 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.089 -7.610 6.260 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -2.570 -9.565 5.400 1.00 1.43 O ATOM 0 H GLU A 90 -3.425 -4.416 3.573 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.082 -6.570 2.379 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.207 -6.215 5.267 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.180 -7.522 4.621 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.323 -8.388 3.345 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.349 -6.970 3.681 1.00 1.19 H new ATOM 1398 N VAL A 91 -6.974 -4.971 2.712 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.177 -4.209 3.012 1.00 0.22 C ATOM 1400 C VAL A 91 -9.253 -5.136 3.530 1.00 0.22 C ATOM 1401 O VAL A 91 -9.382 -6.276 3.079 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.719 -3.413 1.796 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.881 -4.311 0.577 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.040 -2.726 2.139 1.00 0.51 C ATOM 0 H VAL A 91 -6.956 -5.397 1.785 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.902 -3.477 3.772 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.987 -2.643 1.551 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.262 -3.725 -0.259 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.915 -4.739 0.309 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.582 -5.114 0.807 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.400 -2.174 1.270 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.778 -3.477 2.423 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.887 -2.036 2.969 1.00 0.51 H new ATOM 1414 N SER A 92 -10.024 -4.644 4.472 1.00 0.22 N ATOM 1415 CA SER A 92 -11.059 -5.446 5.081 1.00 0.25 C ATOM 1416 C SER A 92 -12.279 -4.583 5.295 1.00 0.26 C ATOM 1417 O SER A 92 -12.278 -3.670 6.122 1.00 0.30 O ATOM 1418 CB SER A 92 -10.572 -6.043 6.410 1.00 0.32 C ATOM 1419 OG SER A 92 -11.494 -6.996 6.925 1.00 1.18 O ATOM 0 H SER A 92 -9.954 -3.693 4.833 1.00 0.22 H new ATOM 0 HA SER A 92 -11.313 -6.277 4.423 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.602 -6.517 6.263 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.429 -5.244 7.138 1.00 0.32 H new ATOM 0 HG SER A 92 -11.153 -7.358 7.770 1.00 1.18 H new ATOM 1425 N THR A 93 -13.298 -4.834 4.504 1.00 0.28 N ATOM 1426 CA THR A 93 -14.533 -4.112 4.617 1.00 0.35 C ATOM 1427 C THR A 93 -15.667 -5.093 4.579 1.00 0.39 C ATOM 1428 O THR A 93 -15.498 -6.131 3.971 1.00 0.59 O ATOM 1429 CB THR A 93 -14.691 -3.135 3.476 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.404 -2.767 2.969 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.407 -1.909 3.959 1.00 0.57 C ATOM 0 H THR A 93 -13.289 -5.542 3.770 1.00 0.28 H new ATOM 0 HA THR A 93 -14.533 -3.556 5.554 1.00 0.35 H new ATOM 0 HB THR A 93 -15.270 -3.605 2.681 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.797 -2.588 3.717 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.520 -1.205 3.134 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.391 -2.187 4.336 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.831 -1.442 4.758 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.789 -4.737 5.216 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.034 -5.536 5.267 1.00 0.43 C ATOM 1441 C LYS A 94 -17.832 -7.043 5.079 1.00 0.42 C ATOM 1442 O LYS A 94 -17.925 -7.828 6.019 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.091 -5.011 4.262 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.568 -4.257 3.025 1.00 0.47 C ATOM 1445 CD LYS A 94 -17.966 -5.139 1.941 1.00 0.50 C ATOM 1446 CE LYS A 94 -18.876 -6.291 1.522 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.297 -5.909 1.338 1.00 0.65 N ATOM 0 H LYS A 94 -16.865 -3.858 5.728 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.402 -5.403 6.284 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.681 -5.860 3.917 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.770 -4.349 4.800 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.389 -3.685 2.593 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.815 -3.539 3.348 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.742 -4.527 1.068 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.019 -5.545 2.297 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.502 -6.714 0.590 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.818 -7.077 2.275 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.743 -6.552 0.653 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.795 -5.974 2.249 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.351 -4.933 0.983 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.550 -7.403 3.851 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.434 -8.762 3.412 1.00 0.40 C ATOM 1463 C ASP A 95 -16.358 -8.873 2.336 1.00 0.37 C ATOM 1464 O ASP A 95 -15.933 -9.968 1.988 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.768 -9.209 2.848 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.849 -10.697 2.591 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.892 -11.464 3.572 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -18.875 -11.103 1.417 1.00 1.05 O ATOM 0 H ASP A 95 -17.390 -6.727 3.105 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.155 -9.396 4.254 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.560 -8.925 3.541 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -18.955 -8.677 1.915 1.00 0.46 H new ATOM 1473 N LYS A 96 -15.896 -7.728 1.818 1.00 0.29 N ATOM 1474 CA LYS A 96 -14.910 -7.751 0.767 1.00 0.29 C ATOM 1475 C LYS A 96 -13.550 -7.718 1.392 1.00 0.27 C ATOM 1476 O LYS A 96 -13.242 -6.850 2.213 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.008 -6.618 -0.288 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.271 -7.164 -1.667 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.943 -6.171 -2.748 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.477 -6.864 -4.017 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.464 -7.839 -4.543 1.00 1.29 N ATOM 0 H LYS A 96 -16.192 -6.797 2.113 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.102 -8.668 0.210 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.806 -5.930 -0.010 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.081 -6.045 -0.294 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -14.680 -8.068 -1.816 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.319 -7.452 -1.747 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.822 -5.564 -2.965 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.166 -5.492 -2.396 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.274 -6.113 -4.781 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.537 -7.379 -3.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.547 -7.728 -5.574 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.148 -8.805 -4.323 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.390 -7.668 -4.101 1.00 1.29 H new ATOM 1495 N PHE A 97 -12.777 -8.693 1.035 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.424 -8.792 1.500 1.00 0.29 C ATOM 1497 C PHE A 97 -10.505 -9.047 0.340 1.00 0.32 C ATOM 1498 O PHE A 97 -10.704 -9.970 -0.450 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.286 -9.890 2.539 1.00 0.40 C ATOM 1500 CG PHE A 97 -9.910 -9.989 3.146 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.583 -9.252 4.273 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -8.944 -10.815 2.589 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.319 -9.336 4.832 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -7.680 -10.903 3.142 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.368 -10.163 4.265 1.00 0.74 C ATOM 0 H PHE A 97 -13.064 -9.447 0.411 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.149 -7.849 1.972 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.011 -9.717 3.334 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.539 -10.845 2.079 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.323 -8.605 4.721 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.183 -11.397 1.711 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.077 -8.756 5.710 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -6.938 -11.549 2.696 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.382 -10.230 4.700 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.503 -8.225 0.267 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.523 -8.292 -0.789 1.00 0.43 C ATOM 1517 C ASP A 98 -7.164 -7.958 -0.215 1.00 0.36 C ATOM 1518 O ASP A 98 -7.033 -7.059 0.620 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.847 -7.312 -1.919 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.066 -7.688 -2.750 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.942 -8.562 -3.642 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.159 -7.139 -2.483 1.00 1.60 O ATOM 0 H ASP A 98 -9.335 -7.479 0.942 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.531 -9.300 -1.204 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.006 -6.323 -1.490 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -7.982 -7.238 -2.578 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.161 -8.680 -0.648 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.809 -8.426 -0.209 1.00 0.30 C ATOM 1529 C CYS A 99 -3.873 -8.456 -1.393 1.00 0.32 C ATOM 1530 O CYS A 99 -4.076 -9.209 -2.348 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.369 -9.433 0.851 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.620 -11.162 0.381 1.00 1.19 S ATOM 0 H CYS A 99 -6.255 -9.452 -1.307 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.777 -7.436 0.247 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.312 -9.277 1.068 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -4.916 -9.236 1.773 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.214 -11.936 1.343 1.00 1.19 H new ATOM 1538 N SER A 100 -2.867 -7.618 -1.338 1.00 0.27 N ATOM 1539 CA SER A 100 -1.928 -7.506 -2.438 1.00 0.30 C ATOM 1540 C SER A 100 -0.495 -7.553 -1.922 1.00 0.31 C ATOM 1541 O SER A 100 -0.124 -6.818 -1.005 1.00 0.42 O ATOM 1542 CB SER A 100 -2.212 -6.222 -3.227 1.00 0.38 C ATOM 1543 OG SER A 100 -1.929 -5.071 -2.464 1.00 0.84 O ATOM 0 H SER A 100 -2.674 -7.003 -0.548 1.00 0.27 H new ATOM 0 HA SER A 100 -2.053 -8.352 -3.114 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.612 -6.213 -4.137 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.257 -6.207 -3.535 1.00 0.38 H new ATOM 0 HG SER A 100 -1.313 -5.303 -1.738 1.00 0.84 H new ATOM 1549 N ASN A 101 0.287 -8.456 -2.485 1.00 0.34 N ATOM 1550 CA ASN A 101 1.663 -8.650 -2.065 1.00 0.37 C ATOM 1551 C ASN A 101 2.634 -8.240 -3.162 1.00 0.42 C ATOM 1552 O ASN A 101 2.617 -8.784 -4.265 1.00 0.65 O ATOM 1553 CB ASN A 101 1.901 -10.112 -1.642 1.00 0.60 C ATOM 1554 CG ASN A 101 1.282 -11.158 -2.573 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.846 -12.213 -2.113 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.254 -10.905 -3.877 1.00 1.05 N ATOM 0 H ASN A 101 -0.011 -9.072 -3.241 1.00 0.34 H new ATOM 0 HA ASN A 101 1.845 -8.010 -1.202 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.975 -10.288 -1.583 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.499 -10.255 -0.639 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.865 -11.593 -4.522 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.622 -10.023 -4.233 1.00 1.05 H new ATOM 1563 N PHE A 102 3.467 -7.268 -2.874 1.00 0.31 N ATOM 1564 CA PHE A 102 4.435 -6.819 -3.838 1.00 0.38 C ATOM 1565 C PHE A 102 5.714 -6.451 -3.133 1.00 0.30 C ATOM 1566 O PHE A 102 5.703 -5.994 -1.986 1.00 0.37 O ATOM 1567 CB PHE A 102 3.895 -5.670 -4.667 1.00 0.57 C ATOM 1568 CG PHE A 102 3.319 -4.562 -3.872 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.994 -4.592 -3.511 1.00 0.59 C ATOM 1570 CD2 PHE A 102 4.095 -3.488 -3.499 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.449 -3.570 -2.793 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.555 -2.454 -2.779 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.226 -2.491 -2.420 1.00 0.86 C ATOM 0 H PHE A 102 3.492 -6.776 -1.981 1.00 0.31 H new ATOM 0 HA PHE A 102 4.647 -7.631 -4.534 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.700 -5.276 -5.288 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.130 -6.053 -5.342 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.379 -5.432 -3.798 1.00 0.59 H new ATOM 0 HD2 PHE A 102 5.138 -3.460 -3.776 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.406 -3.604 -2.515 1.00 0.74 H new ATOM 0 HE2 PHE A 102 4.170 -1.613 -2.494 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.794 -1.681 -1.850 1.00 0.86 H new ATOM 1583 N ASN A 103 6.806 -6.674 -3.807 1.00 0.24 N ATOM 1584 CA ASN A 103 8.090 -6.493 -3.230 1.00 0.25 C ATOM 1585 C ASN A 103 8.747 -5.235 -3.706 1.00 0.28 C ATOM 1586 O ASN A 103 8.514 -4.745 -4.793 1.00 0.49 O ATOM 1587 CB ASN A 103 9.004 -7.672 -3.538 1.00 0.33 C ATOM 1588 CG ASN A 103 9.378 -7.794 -4.993 1.00 1.08 C ATOM 1589 OD1 ASN A 103 10.325 -7.158 -5.465 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.676 -8.637 -5.704 1.00 1.25 N ATOM 0 H ASN A 103 6.821 -6.988 -4.777 1.00 0.24 H new ATOM 0 HA ASN A 103 7.934 -6.422 -2.154 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.914 -7.577 -2.946 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.513 -8.592 -3.221 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.904 -8.789 -6.687 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.901 -9.143 -5.276 1.00 1.25 H new ATOM 1597 N LEU A 104 9.570 -4.736 -2.858 1.00 0.23 N ATOM 1598 CA LEU A 104 10.501 -3.683 -3.246 1.00 0.24 C ATOM 1599 C LEU A 104 11.916 -4.207 -3.113 1.00 0.25 C ATOM 1600 O LEU A 104 12.472 -4.254 -2.024 1.00 0.37 O ATOM 1601 CB LEU A 104 10.333 -2.375 -2.442 1.00 0.27 C ATOM 1602 CG LEU A 104 11.622 -1.621 -2.185 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.634 -0.325 -2.965 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.871 -1.380 -0.697 1.00 0.30 C ATOM 0 H LEU A 104 9.636 -5.025 -1.882 1.00 0.23 H new ATOM 0 HA LEU A 104 10.280 -3.421 -4.281 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.646 -1.721 -2.978 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.868 -2.610 -1.485 1.00 0.27 H new ATOM 0 HG LEU A 104 12.444 -2.246 -2.534 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.565 0.207 -2.772 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.554 -0.541 -4.030 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.792 0.294 -2.656 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.807 -0.836 -0.568 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.051 -0.795 -0.281 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.933 -2.337 -0.179 1.00 0.30 H new ATOM 1616 N THR A 105 12.507 -4.617 -4.207 1.00 0.23 N ATOM 1617 CA THR A 105 13.834 -5.160 -4.125 1.00 0.24 C ATOM 1618 C THR A 105 14.811 -4.012 -4.079 1.00 0.21 C ATOM 1619 O THR A 105 15.146 -3.419 -5.102 1.00 0.22 O ATOM 1620 CB THR A 105 14.175 -6.098 -5.290 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.166 -7.115 -5.424 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.526 -6.760 -5.065 1.00 0.32 C ATOM 0 H THR A 105 12.101 -4.586 -5.142 1.00 0.23 H new ATOM 0 HA THR A 105 13.896 -5.767 -3.222 1.00 0.24 H new ATOM 0 HB THR A 105 14.215 -5.503 -6.203 1.00 0.28 H new ATOM 0 HG1 THR A 105 12.284 -6.693 -5.497 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.751 -7.422 -5.902 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.298 -5.994 -4.990 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.498 -7.339 -4.142 1.00 0.32 H new ATOM 1630 N VAL A 106 15.211 -3.672 -2.877 1.00 0.23 N ATOM 1631 CA VAL A 106 16.141 -2.606 -2.660 1.00 0.23 C ATOM 1632 C VAL A 106 17.538 -3.125 -2.898 1.00 0.25 C ATOM 1633 O VAL A 106 18.062 -3.990 -2.197 1.00 0.28 O ATOM 1634 CB VAL A 106 16.018 -1.957 -1.259 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.087 -2.995 -0.165 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.071 -0.873 -1.084 1.00 0.33 C ATOM 0 H VAL A 106 14.896 -4.133 -2.023 1.00 0.23 H new ATOM 0 HA VAL A 106 15.908 -1.810 -3.367 1.00 0.23 H new ATOM 0 HB VAL A 106 15.039 -1.485 -1.181 1.00 0.27 H new ATOM 0 HG11 VAL A 106 15.998 -2.507 0.806 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.272 -3.709 -0.289 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.041 -3.520 -0.221 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.972 -0.426 -0.095 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.064 -1.310 -1.187 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.932 -0.105 -1.845 1.00 0.33 H new ATOM 1646 N HIS A 107 18.088 -2.599 -3.940 1.00 0.26 N ATOM 1647 CA HIS A 107 19.392 -2.972 -4.419 1.00 0.31 C ATOM 1648 C HIS A 107 20.438 -2.325 -3.559 1.00 0.34 C ATOM 1649 O HIS A 107 20.758 -1.148 -3.708 1.00 0.36 O ATOM 1650 CB HIS A 107 19.586 -2.548 -5.876 1.00 0.36 C ATOM 1651 CG HIS A 107 18.860 -3.399 -6.866 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.497 -4.016 -7.911 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.547 -3.713 -6.989 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.616 -4.671 -8.635 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.422 -4.507 -8.100 1.00 0.53 N ATOM 0 H HIS A 107 17.637 -1.878 -4.503 1.00 0.26 H new ATOM 0 HA HIS A 107 19.485 -4.057 -4.367 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.254 -1.516 -5.989 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.651 -2.568 -6.109 1.00 0.36 H new ATOM 0 HD2 HIS A 107 16.748 -3.397 -6.334 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.834 -5.248 -9.521 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.551 -4.904 -8.453 1.00 0.53 H new ATOM 1664 N GLU A 108 20.915 -3.106 -2.635 1.00 0.45 N ATOM 1665 CA GLU A 108 22.030 -2.722 -1.794 1.00 0.56 C ATOM 1666 C GLU A 108 23.346 -3.113 -2.451 1.00 0.71 C ATOM 1667 O GLU A 108 24.051 -2.268 -3.006 1.00 1.33 O ATOM 1668 CB GLU A 108 21.910 -3.384 -0.421 1.00 0.71 C ATOM 1669 CG GLU A 108 23.068 -3.069 0.514 1.00 0.87 C ATOM 1670 CD GLU A 108 22.966 -3.815 1.824 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.103 -5.053 1.819 1.00 1.67 O ATOM 1672 OE2 GLU A 108 22.748 -3.165 2.867 1.00 1.66 O ATOM 0 H GLU A 108 20.545 -4.035 -2.436 1.00 0.45 H new ATOM 0 HA GLU A 108 22.011 -1.640 -1.664 1.00 0.56 H new ATOM 0 HB2 GLU A 108 20.979 -3.063 0.047 1.00 0.71 H new ATOM 0 HB3 GLU A 108 21.845 -4.464 -0.553 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.008 -3.326 0.024 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.093 -1.997 0.710 1.00 0.87 H new