USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 51 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.3) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.697 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 76:sc= 0.324 USER MOD Single : A 15 MET CE :methyl -137:sc= -0.563 (180deg=-4.55!) USER MOD Single : A 18 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.6!) USER MOD Single : A 19 ASN : amide:sc= -3.72! C(o=-3.7!,f=-2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -59:sc= 0.178 USER MOD Single : A 28 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.6!) USER MOD Single : A 31 TYR OH : rot -28:sc= -0.0548 USER MOD Single : A 32 GLN : amide:sc= -5.79! C(o=-5.8!,f=-7.9!) USER MOD Single : A 35 MET CE :methyl -157:sc= 0 (180deg=-0.527) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 50 ASN : amide:sc=-0.00722 K(o=-0.0072,f=-2.3!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.96 X(o=-2,f=-1.5!) USER MOD Single : A 61 CYS SG : rot 53:sc= -3.47 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.221 13.652 1.567 1.00 0.59 N ATOM 78 CA PRO A 5 -11.091 14.228 2.357 1.00 0.58 C ATOM 79 C PRO A 5 -9.954 14.739 1.457 1.00 0.56 C ATOM 80 O PRO A 5 -9.854 14.360 0.306 1.00 0.67 O ATOM 81 CB PRO A 5 -10.631 13.049 3.214 1.00 0.62 C ATOM 82 CG PRO A 5 -10.909 11.858 2.364 1.00 0.73 C ATOM 83 CD PRO A 5 -12.210 12.177 1.625 1.00 0.58 C ATOM 0 HA PRO A 5 -11.391 15.098 2.941 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.572 13.124 3.462 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.177 13.003 4.156 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.094 11.677 1.663 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.013 10.959 2.971 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.224 11.736 0.628 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.079 11.790 2.157 1.00 0.58 H new ATOM 91 N PRO A 6 -9.109 15.599 1.970 1.00 0.55 N ATOM 92 CA PRO A 6 -7.969 16.177 1.194 1.00 0.57 C ATOM 93 C PRO A 6 -6.811 15.189 0.972 1.00 0.51 C ATOM 94 O PRO A 6 -5.827 15.519 0.341 1.00 0.70 O ATOM 95 CB PRO A 6 -7.516 17.356 2.065 1.00 0.67 C ATOM 96 CG PRO A 6 -7.854 16.941 3.459 1.00 0.84 C ATOM 97 CD PRO A 6 -9.144 16.125 3.350 1.00 0.68 C ATOM 0 HA PRO A 6 -8.275 16.456 0.186 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.448 17.544 1.955 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.032 18.275 1.788 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.051 16.347 3.896 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -7.994 17.810 4.103 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.172 15.320 4.085 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.025 16.744 3.521 1.00 0.68 H new ATOM 105 N TYR A 7 -6.904 13.987 1.480 1.00 0.42 N ATOM 106 CA TYR A 7 -5.789 13.016 1.280 1.00 0.36 C ATOM 107 C TYR A 7 -5.785 12.539 -0.172 1.00 0.34 C ATOM 108 O TYR A 7 -6.823 12.345 -0.774 1.00 0.36 O ATOM 109 CB TYR A 7 -5.985 11.802 2.192 1.00 0.34 C ATOM 110 CG TYR A 7 -6.232 12.269 3.609 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.276 13.048 4.270 1.00 1.12 C ATOM 112 CD2 TYR A 7 -7.426 11.928 4.257 1.00 1.10 C ATOM 113 CE1 TYR A 7 -5.515 13.488 5.578 1.00 1.15 C ATOM 114 CE2 TYR A 7 -7.664 12.366 5.563 1.00 1.11 C ATOM 115 CZ TYR A 7 -6.710 13.147 6.224 1.00 0.47 C ATOM 116 OH TYR A 7 -6.944 13.582 7.513 1.00 0.54 O ATOM 0 H TYR A 7 -7.696 13.639 2.020 1.00 0.42 H new ATOM 0 HA TYR A 7 -4.845 13.507 1.518 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -6.827 11.204 1.843 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.103 11.162 2.157 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.354 13.310 3.772 1.00 1.12 H new ATOM 0 HD2 TYR A 7 -8.164 11.326 3.747 1.00 1.10 H new ATOM 0 HE1 TYR A 7 -4.778 14.090 6.088 1.00 1.15 H new ATOM 0 HE2 TYR A 7 -8.585 12.101 6.062 1.00 1.11 H new ATOM 0 HH TYR A 7 -7.819 13.259 7.813 1.00 0.54 H new ATOM 126 N SER A 8 -4.628 12.331 -0.735 1.00 0.35 N ATOM 127 CA SER A 8 -4.566 11.848 -2.143 1.00 0.38 C ATOM 128 C SER A 8 -4.906 10.357 -2.161 1.00 0.32 C ATOM 129 O SER A 8 -4.867 9.694 -1.144 1.00 0.30 O ATOM 130 CB SER A 8 -3.155 12.056 -2.695 1.00 0.46 C ATOM 131 OG SER A 8 -2.281 11.092 -2.123 1.00 1.39 O ATOM 0 H SER A 8 -3.725 12.474 -0.283 1.00 0.35 H new ATOM 0 HA SER A 8 -5.275 12.402 -2.759 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.159 11.961 -3.781 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.806 13.063 -2.464 1.00 0.46 H new ATOM 0 HG SER A 8 -1.376 11.221 -2.476 1.00 1.39 H new ATOM 137 N TYR A 9 -5.235 9.816 -3.302 1.00 0.34 N ATOM 138 CA TYR A 9 -5.569 8.366 -3.354 1.00 0.34 C ATOM 139 C TYR A 9 -4.354 7.567 -2.880 1.00 0.35 C ATOM 140 O TYR A 9 -4.479 6.592 -2.165 1.00 0.36 O ATOM 141 CB TYR A 9 -5.922 7.956 -4.787 1.00 0.39 C ATOM 142 CG TYR A 9 -7.230 8.595 -5.193 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.445 7.962 -4.897 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.227 9.819 -5.871 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.655 8.553 -5.279 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.438 10.411 -6.252 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.651 9.778 -5.955 1.00 0.44 C ATOM 148 OH TYR A 9 -10.844 10.361 -6.330 1.00 0.50 O ATOM 0 H TYR A 9 -5.287 10.311 -4.193 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.426 8.166 -2.711 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.129 8.263 -5.469 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.999 6.871 -4.856 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.448 7.017 -4.374 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.291 10.307 -6.100 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.591 8.064 -5.052 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.436 11.356 -6.775 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.664 11.208 -6.788 1.00 0.50 H new ATOM 158 N ILE A 10 -3.179 7.978 -3.268 1.00 0.38 N ATOM 159 CA ILE A 10 -1.952 7.252 -2.840 1.00 0.42 C ATOM 160 C ILE A 10 -1.794 7.388 -1.323 1.00 0.38 C ATOM 161 O ILE A 10 -1.417 6.456 -0.642 1.00 0.39 O ATOM 162 CB ILE A 10 -0.734 7.877 -3.525 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.876 7.777 -5.051 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.540 7.158 -3.074 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.087 6.323 -5.493 1.00 0.96 C ATOM 0 H ILE A 10 -3.016 8.789 -3.865 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.032 6.200 -3.113 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.672 8.928 -3.245 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.717 8.386 -5.382 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.017 8.180 -5.529 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.404 7.607 -3.564 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.647 7.251 -1.993 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.477 6.104 -3.343 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -1.184 6.283 -6.578 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.233 5.721 -5.183 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -1.994 5.931 -5.033 1.00 0.96 H new ATOM 177 N ALA A 11 -2.074 8.548 -0.795 1.00 0.36 N ATOM 178 CA ALA A 11 -1.934 8.756 0.674 1.00 0.36 C ATOM 179 C ALA A 11 -2.946 7.891 1.426 1.00 0.32 C ATOM 180 O ALA A 11 -2.639 7.317 2.451 1.00 0.32 O ATOM 181 CB ALA A 11 -2.193 10.230 1.001 1.00 0.38 C ATOM 0 H ALA A 11 -2.394 9.362 -1.319 1.00 0.36 H new ATOM 0 HA ALA A 11 -0.926 8.476 0.980 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.092 10.388 2.075 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.470 10.852 0.473 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.201 10.500 0.688 1.00 0.38 H new ATOM 187 N LEU A 12 -4.150 7.791 0.935 1.00 0.32 N ATOM 188 CA LEU A 12 -5.166 6.964 1.644 1.00 0.31 C ATOM 189 C LEU A 12 -4.668 5.523 1.728 1.00 0.30 C ATOM 190 O LEU A 12 -4.807 4.869 2.743 1.00 0.32 O ATOM 191 CB LEU A 12 -6.490 7.022 0.881 1.00 0.33 C ATOM 192 CG LEU A 12 -7.103 8.424 1.017 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.287 8.545 0.054 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.579 8.670 2.461 1.00 0.36 C ATOM 0 H LEU A 12 -4.473 8.243 0.079 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.322 7.348 2.652 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.326 6.786 -0.171 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.179 6.273 1.271 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.347 9.170 0.773 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -8.729 9.537 0.143 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -7.941 8.392 -0.968 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.035 7.791 0.300 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.010 9.668 2.537 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.332 7.928 2.727 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -6.732 8.588 3.142 1.00 0.36 H new ATOM 206 N ILE A 13 -4.065 5.028 0.685 1.00 0.31 N ATOM 207 CA ILE A 13 -3.535 3.640 0.734 1.00 0.32 C ATOM 208 C ILE A 13 -2.439 3.586 1.795 1.00 0.29 C ATOM 209 O ILE A 13 -2.376 2.681 2.603 1.00 0.30 O ATOM 210 CB ILE A 13 -2.939 3.273 -0.624 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.046 3.280 -1.678 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.314 1.878 -0.550 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.428 3.177 -3.074 1.00 0.49 C ATOM 0 H ILE A 13 -3.917 5.522 -0.195 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.335 2.940 0.975 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.171 3.998 -0.893 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.728 2.447 -1.509 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.634 4.194 -1.596 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -1.889 1.618 -1.520 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.527 1.871 0.204 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.080 1.150 -0.282 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.219 3.182 -3.824 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -2.764 4.025 -3.241 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -2.860 2.250 -3.153 1.00 0.49 H new ATOM 225 N THR A 14 -1.577 4.564 1.793 1.00 0.29 N ATOM 226 CA THR A 14 -0.476 4.605 2.791 1.00 0.31 C ATOM 227 C THR A 14 -1.068 4.651 4.203 1.00 0.32 C ATOM 228 O THR A 14 -0.576 4.019 5.115 1.00 0.34 O ATOM 229 CB THR A 14 0.373 5.853 2.544 1.00 0.35 C ATOM 230 OG1 THR A 14 0.913 5.800 1.232 1.00 0.37 O ATOM 231 CG2 THR A 14 1.513 5.915 3.562 1.00 0.39 C ATOM 0 H THR A 14 -1.590 5.344 1.135 1.00 0.29 H new ATOM 0 HA THR A 14 0.146 3.715 2.694 1.00 0.31 H new ATOM 0 HB THR A 14 -0.250 6.741 2.650 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.213 6.017 0.581 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.114 6.806 3.381 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.099 5.955 4.570 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.139 5.028 3.462 1.00 0.39 H new ATOM 239 N MET A 15 -2.123 5.398 4.383 1.00 0.33 N ATOM 240 CA MET A 15 -2.756 5.499 5.727 1.00 0.37 C ATOM 241 C MET A 15 -3.397 4.162 6.106 1.00 0.34 C ATOM 242 O MET A 15 -3.346 3.741 7.243 1.00 0.36 O ATOM 243 CB MET A 15 -3.826 6.593 5.707 1.00 0.44 C ATOM 244 CG MET A 15 -3.156 7.964 5.595 1.00 0.49 C ATOM 245 SD MET A 15 -4.424 9.258 5.571 1.00 0.67 S ATOM 246 CE MET A 15 -3.312 10.685 5.464 1.00 1.14 C ATOM 0 H MET A 15 -2.576 5.946 3.651 1.00 0.33 H new ATOM 0 HA MET A 15 -1.992 5.749 6.463 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.503 6.438 4.867 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.428 6.544 6.615 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.479 8.119 6.435 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.554 8.013 4.688 1.00 0.49 H new ATOM 0 HE1 MET A 15 -3.659 11.468 6.138 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.304 10.383 5.748 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.303 11.064 4.442 1.00 1.14 H new ATOM 256 N ALA A 16 -4.014 3.503 5.168 1.00 0.32 N ATOM 257 CA ALA A 16 -4.678 2.205 5.474 1.00 0.31 C ATOM 258 C ALA A 16 -3.656 1.190 6.000 1.00 0.29 C ATOM 259 O ALA A 16 -3.896 0.511 6.979 1.00 0.31 O ATOM 260 CB ALA A 16 -5.318 1.664 4.195 1.00 0.31 C ATOM 0 H ALA A 16 -4.088 3.808 4.197 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.438 2.363 6.239 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.807 0.713 4.407 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.055 2.378 3.827 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.548 1.515 3.438 1.00 0.31 H new ATOM 266 N ILE A 17 -2.528 1.065 5.355 1.00 0.27 N ATOM 267 CA ILE A 17 -1.512 0.074 5.820 1.00 0.28 C ATOM 268 C ILE A 17 -1.070 0.419 7.242 1.00 0.30 C ATOM 269 O ILE A 17 -1.054 -0.415 8.125 1.00 0.33 O ATOM 270 CB ILE A 17 -0.283 0.139 4.911 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.703 -0.060 3.457 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.697 -0.968 5.306 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.460 0.324 2.539 1.00 0.32 C ATOM 0 H ILE A 17 -2.265 1.603 4.529 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.953 -0.923 5.793 1.00 0.28 H new ATOM 0 HB ILE A 17 0.193 1.113 5.020 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.988 -1.098 3.287 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.577 0.551 3.232 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.574 -0.925 4.660 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.003 -0.830 6.343 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.213 -1.939 5.196 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.165 0.183 1.499 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.724 1.369 2.703 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.321 -0.306 2.760 1.00 0.32 H new ATOM 285 N GLN A 18 -0.694 1.649 7.456 1.00 0.32 N ATOM 286 CA GLN A 18 -0.229 2.073 8.810 1.00 0.36 C ATOM 287 C GLN A 18 -1.401 2.098 9.792 1.00 0.36 C ATOM 288 O GLN A 18 -1.274 1.710 10.937 1.00 0.38 O ATOM 289 CB GLN A 18 0.387 3.470 8.714 1.00 0.44 C ATOM 290 CG GLN A 18 1.713 3.387 7.954 1.00 0.51 C ATOM 291 CD GLN A 18 2.212 4.798 7.637 1.00 1.09 C ATOM 292 OE1 GLN A 18 1.429 5.718 7.512 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.493 5.008 7.503 1.00 1.82 N ATOM 0 H GLN A 18 -0.688 2.384 6.749 1.00 0.32 H new ATOM 0 HA GLN A 18 0.514 1.362 9.171 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.297 4.147 8.202 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.551 3.877 9.712 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.453 2.854 8.551 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.580 2.821 7.032 1.00 0.51 H new ATOM 0 HE21 GLN A 18 4.150 4.235 7.608 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.837 5.945 7.293 1.00 1.82 H new ATOM 302 N ASN A 19 -2.542 2.553 9.356 1.00 0.37 N ATOM 303 CA ASN A 19 -3.722 2.608 10.263 1.00 0.42 C ATOM 304 C ASN A 19 -4.111 1.187 10.669 1.00 0.43 C ATOM 305 O ASN A 19 -4.589 0.949 11.760 1.00 0.58 O ATOM 306 CB ASN A 19 -4.895 3.276 9.545 1.00 0.51 C ATOM 307 CG ASN A 19 -4.600 4.765 9.362 1.00 0.84 C ATOM 308 OD1 ASN A 19 -5.401 5.493 8.811 1.00 1.67 O ATOM 309 ND2 ASN A 19 -3.472 5.251 9.801 1.00 1.28 N ATOM 0 H ASN A 19 -2.709 2.890 8.408 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.471 3.187 11.152 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.058 2.805 8.576 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.811 3.144 10.121 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -3.263 6.242 9.682 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -2.799 4.640 10.264 1.00 1.28 H new ATOM 316 N ALA A 20 -3.918 0.241 9.791 1.00 0.39 N ATOM 317 CA ALA A 20 -4.283 -1.165 10.117 1.00 0.47 C ATOM 318 C ALA A 20 -3.200 -1.769 11.026 1.00 0.53 C ATOM 319 O ALA A 20 -2.067 -1.901 10.611 1.00 0.63 O ATOM 320 CB ALA A 20 -4.342 -1.975 8.817 1.00 0.49 C ATOM 0 H ALA A 20 -3.523 0.382 8.861 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.249 -1.190 10.622 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -4.609 -3.007 9.043 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -5.091 -1.544 8.153 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -3.368 -1.951 8.329 1.00 0.49 H new ATOM 326 N PRO A 21 -3.515 -2.148 12.245 1.00 0.71 N ATOM 327 CA PRO A 21 -2.499 -2.752 13.153 1.00 0.87 C ATOM 328 C PRO A 21 -1.691 -3.826 12.422 1.00 0.80 C ATOM 329 O PRO A 21 -0.516 -4.015 12.665 1.00 1.04 O ATOM 330 CB PRO A 21 -3.333 -3.360 14.285 1.00 1.10 C ATOM 331 CG PRO A 21 -4.580 -2.537 14.331 1.00 1.29 C ATOM 332 CD PRO A 21 -4.837 -2.056 12.897 1.00 0.94 C ATOM 0 HA PRO A 21 -1.770 -2.028 13.516 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.559 -4.408 14.090 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -2.799 -3.320 15.234 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.420 -3.126 14.699 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -4.462 -1.691 15.009 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.575 -2.681 12.393 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.219 -1.035 12.881 1.00 0.94 H new ATOM 340 N GLU A 22 -2.325 -4.519 11.514 1.00 0.72 N ATOM 341 CA GLU A 22 -1.625 -5.579 10.734 1.00 0.83 C ATOM 342 C GLU A 22 -1.255 -4.997 9.368 1.00 0.80 C ATOM 343 O GLU A 22 -2.112 -4.668 8.573 1.00 1.16 O ATOM 344 CB GLU A 22 -2.574 -6.768 10.557 1.00 0.98 C ATOM 345 CG GLU A 22 -1.877 -7.883 9.777 1.00 1.51 C ATOM 346 CD GLU A 22 -2.825 -9.074 9.639 1.00 2.01 C ATOM 347 OE1 GLU A 22 -3.904 -9.017 10.206 1.00 2.63 O ATOM 348 OE2 GLU A 22 -2.455 -10.028 8.974 1.00 2.51 O ATOM 0 H GLU A 22 -3.309 -4.394 11.277 1.00 0.72 H new ATOM 0 HA GLU A 22 -0.725 -5.914 11.249 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -2.891 -7.139 11.532 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -3.473 -6.451 10.029 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -1.582 -7.523 8.792 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -0.966 -8.187 10.292 1.00 1.51 H new ATOM 355 N LYS A 23 0.012 -4.845 9.094 1.00 0.66 N ATOM 356 CA LYS A 23 0.422 -4.258 7.786 1.00 0.68 C ATOM 357 C LYS A 23 0.117 -5.237 6.653 1.00 0.56 C ATOM 358 O LYS A 23 -0.122 -4.842 5.530 1.00 0.59 O ATOM 359 CB LYS A 23 1.921 -3.955 7.793 1.00 0.84 C ATOM 360 CG LYS A 23 2.214 -2.787 8.735 1.00 0.96 C ATOM 361 CD LYS A 23 3.717 -2.502 8.726 1.00 0.79 C ATOM 362 CE LYS A 23 4.027 -1.335 9.664 1.00 1.23 C ATOM 363 NZ LYS A 23 5.408 -0.841 9.397 1.00 2.02 N ATOM 0 H LYS A 23 0.779 -5.101 9.716 1.00 0.66 H new ATOM 0 HA LYS A 23 -0.136 -3.335 7.631 1.00 0.68 H new ATOM 0 HB2 LYS A 23 2.477 -4.837 8.110 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.256 -3.712 6.785 1.00 0.84 H new ATOM 0 HG2 LYS A 23 1.661 -1.902 8.420 1.00 0.96 H new ATOM 0 HG3 LYS A 23 1.883 -3.026 9.745 1.00 0.96 H new ATOM 0 HD2 LYS A 23 4.267 -3.389 9.040 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.046 -2.265 7.714 1.00 0.79 H new ATOM 0 HE2 LYS A 23 3.306 -0.532 9.514 1.00 1.23 H new ATOM 0 HE3 LYS A 23 3.937 -1.654 10.702 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 5.622 -0.047 10.034 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.089 -1.609 9.561 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 5.478 -0.521 8.410 1.00 2.02 H new ATOM 377 N LYS A 24 0.131 -6.512 6.929 1.00 0.49 N ATOM 378 CA LYS A 24 -0.152 -7.496 5.848 1.00 0.43 C ATOM 379 C LYS A 24 -1.662 -7.549 5.619 1.00 0.44 C ATOM 380 O LYS A 24 -2.331 -8.482 6.016 1.00 0.75 O ATOM 381 CB LYS A 24 0.355 -8.880 6.267 1.00 0.41 C ATOM 382 CG LYS A 24 1.883 -8.862 6.338 1.00 0.45 C ATOM 383 CD LYS A 24 2.388 -10.245 6.757 1.00 0.50 C ATOM 384 CE LYS A 24 3.916 -10.237 6.832 1.00 0.59 C ATOM 385 NZ LYS A 24 4.382 -11.427 7.597 1.00 1.55 N ATOM 0 H LYS A 24 0.324 -6.912 7.847 1.00 0.49 H new ATOM 0 HA LYS A 24 0.353 -7.197 4.930 1.00 0.43 H new ATOM 0 HB2 LYS A 24 -0.062 -9.154 7.236 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.022 -9.633 5.553 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.300 -8.589 5.369 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.216 -8.109 7.052 1.00 0.45 H new ATOM 0 HD2 LYS A 24 1.969 -10.518 7.725 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.054 -10.997 6.042 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.340 -10.248 5.828 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.262 -9.323 7.314 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.421 -11.422 7.648 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 3.988 -11.397 8.559 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.063 -12.294 7.119 1.00 1.55 H new ATOM 399 N ILE A 25 -2.199 -6.544 4.974 1.00 0.35 N ATOM 400 CA ILE A 25 -3.666 -6.507 4.704 1.00 0.34 C ATOM 401 C ILE A 25 -3.918 -6.929 3.259 1.00 0.31 C ATOM 402 O ILE A 25 -3.118 -6.683 2.379 1.00 0.33 O ATOM 403 CB ILE A 25 -4.200 -5.088 4.921 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.719 -5.077 4.720 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.547 -4.127 3.923 1.00 0.38 C ATOM 406 CD1 ILE A 25 -6.308 -3.801 5.325 1.00 0.47 C ATOM 0 H ILE A 25 -1.678 -5.741 4.621 1.00 0.35 H new ATOM 0 HA ILE A 25 -4.177 -7.188 5.384 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.963 -4.768 5.935 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.956 -5.130 3.657 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -6.164 -5.954 5.190 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.931 -3.120 4.083 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.467 -4.130 4.068 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.778 -4.446 2.907 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -7.388 -3.795 5.181 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -6.084 -3.767 6.391 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.872 -2.931 4.834 1.00 0.47 H new ATOM 418 N THR A 26 -5.022 -7.574 3.012 1.00 0.30 N ATOM 419 CA THR A 26 -5.326 -8.027 1.629 1.00 0.31 C ATOM 420 C THR A 26 -5.878 -6.855 0.812 1.00 0.28 C ATOM 421 O THR A 26 -6.270 -5.837 1.345 1.00 0.27 O ATOM 422 CB THR A 26 -6.361 -9.161 1.692 1.00 0.37 C ATOM 423 OG1 THR A 26 -6.131 -9.937 2.860 1.00 0.76 O ATOM 424 CG2 THR A 26 -6.238 -10.056 0.456 1.00 0.81 C ATOM 0 H THR A 26 -5.728 -7.807 3.710 1.00 0.30 H new ATOM 0 HA THR A 26 -4.417 -8.391 1.149 1.00 0.31 H new ATOM 0 HB THR A 26 -7.362 -8.732 1.721 1.00 0.37 H new ATOM 0 HG1 THR A 26 -5.225 -10.309 2.832 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.976 -10.856 0.511 1.00 0.81 H new ATOM 0 HG22 THR A 26 -6.412 -9.463 -0.442 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.238 -10.487 0.417 1.00 0.81 H new ATOM 432 N LEU A 27 -5.908 -7.001 -0.483 1.00 0.31 N ATOM 433 CA LEU A 27 -6.428 -5.914 -1.359 1.00 0.34 C ATOM 434 C LEU A 27 -7.885 -5.643 -0.972 1.00 0.30 C ATOM 435 O LEU A 27 -8.303 -4.514 -0.787 1.00 0.31 O ATOM 436 CB LEU A 27 -6.348 -6.408 -2.808 1.00 0.44 C ATOM 437 CG LEU A 27 -6.793 -5.324 -3.796 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.868 -4.104 -3.680 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.720 -5.903 -5.215 1.00 0.68 C ATOM 0 H LEU A 27 -5.591 -7.835 -0.977 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.851 -4.996 -1.249 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.326 -6.711 -3.034 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.976 -7.291 -2.928 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.813 -5.009 -3.574 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.188 -3.336 -4.384 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.914 -3.708 -2.666 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.844 -4.401 -3.908 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.033 -5.146 -5.934 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.696 -6.207 -5.432 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.379 -6.768 -5.289 1.00 0.68 H new ATOM 451 N ASN A 28 -8.652 -6.689 -0.839 1.00 0.30 N ATOM 452 CA ASN A 28 -10.086 -6.546 -0.457 1.00 0.31 C ATOM 453 C ASN A 28 -10.202 -5.875 0.917 1.00 0.29 C ATOM 454 O ASN A 28 -11.078 -5.066 1.151 1.00 0.32 O ATOM 455 CB ASN A 28 -10.713 -7.939 -0.375 1.00 0.36 C ATOM 456 CG ASN A 28 -10.835 -8.535 -1.779 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.837 -7.818 -2.759 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.928 -9.829 -1.915 1.00 1.25 N ATOM 0 H ASN A 28 -8.342 -7.650 -0.981 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.597 -5.935 -1.201 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.102 -8.587 0.253 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.696 -7.879 0.091 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.003 -10.240 -2.846 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.926 -10.430 -1.091 1.00 1.25 H new ATOM 465 N GLY A 29 -9.343 -6.228 1.835 1.00 0.28 N ATOM 466 CA GLY A 29 -9.417 -5.641 3.204 1.00 0.29 C ATOM 467 C GLY A 29 -9.257 -4.120 3.153 1.00 0.28 C ATOM 468 O GLY A 29 -9.923 -3.396 3.866 1.00 0.29 O ATOM 0 H GLY A 29 -8.590 -6.901 1.695 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.373 -5.895 3.662 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.637 -6.072 3.832 1.00 0.29 H new ATOM 472 N ILE A 30 -8.379 -3.624 2.328 1.00 0.26 N ATOM 473 CA ILE A 30 -8.187 -2.148 2.256 1.00 0.27 C ATOM 474 C ILE A 30 -9.501 -1.479 1.848 1.00 0.27 C ATOM 475 O ILE A 30 -9.887 -0.464 2.394 1.00 0.29 O ATOM 476 CB ILE A 30 -7.113 -1.820 1.215 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.766 -2.383 1.676 1.00 0.32 C ATOM 478 CG2 ILE A 30 -7.003 -0.301 1.058 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.751 -2.280 0.535 1.00 0.35 C ATOM 0 H ILE A 30 -7.788 -4.173 1.703 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.875 -1.779 3.233 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.385 -2.267 0.259 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.408 -1.832 2.546 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.880 -3.423 1.982 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.239 -0.066 0.317 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.962 0.101 0.730 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.730 0.145 2.015 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.792 -2.681 0.864 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.108 -2.851 -0.322 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.629 -1.235 0.250 1.00 0.35 H new ATOM 491 N TYR A 31 -10.183 -2.025 0.878 1.00 0.28 N ATOM 492 CA TYR A 31 -11.460 -1.400 0.425 1.00 0.30 C ATOM 493 C TYR A 31 -12.475 -1.340 1.570 1.00 0.30 C ATOM 494 O TYR A 31 -13.183 -0.365 1.727 1.00 0.32 O ATOM 495 CB TYR A 31 -12.041 -2.216 -0.738 1.00 0.36 C ATOM 496 CG TYR A 31 -11.284 -1.886 -2.003 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.336 -0.588 -2.518 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.520 -2.865 -2.651 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.627 -0.265 -3.675 1.00 1.23 C ATOM 500 CE2 TYR A 31 -9.807 -2.541 -3.812 1.00 1.40 C ATOM 501 CZ TYR A 31 -9.861 -1.239 -4.323 1.00 0.58 C ATOM 502 OH TYR A 31 -9.157 -0.915 -5.464 1.00 0.72 O ATOM 0 H TYR A 31 -9.913 -2.874 0.381 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.253 -0.381 0.097 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.967 -3.282 -0.523 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.100 -1.989 -0.864 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.926 0.166 -2.019 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.481 -3.869 -2.255 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -10.670 0.739 -4.071 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -9.217 -3.294 -4.312 1.00 1.40 H new ATOM 0 HH TYR A 31 -9.609 -0.181 -5.930 1.00 0.72 H new ATOM 512 N GLN A 32 -12.567 -2.369 2.364 1.00 0.31 N ATOM 513 CA GLN A 32 -13.552 -2.355 3.484 1.00 0.35 C ATOM 514 C GLN A 32 -13.149 -1.298 4.517 1.00 0.33 C ATOM 515 O GLN A 32 -13.980 -0.608 5.073 1.00 0.34 O ATOM 516 CB GLN A 32 -13.584 -3.739 4.141 1.00 0.41 C ATOM 517 CG GLN A 32 -14.849 -3.891 4.991 1.00 1.25 C ATOM 518 CD GLN A 32 -14.773 -2.964 6.203 1.00 1.79 C ATOM 519 OE1 GLN A 32 -15.701 -2.230 6.481 1.00 2.35 O ATOM 520 NE2 GLN A 32 -13.699 -2.964 6.943 1.00 2.51 N ATOM 0 H GLN A 32 -12.006 -3.217 2.288 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.542 -2.111 3.098 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.556 -4.514 3.375 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -12.700 -3.875 4.764 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -15.730 -3.653 4.394 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.956 -4.925 5.319 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -12.920 -3.580 6.711 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -13.639 -2.348 7.754 1.00 2.51 H new ATOM 529 N PHE A 33 -11.878 -1.183 4.789 1.00 0.33 N ATOM 530 CA PHE A 33 -11.401 -0.193 5.799 1.00 0.35 C ATOM 531 C PHE A 33 -11.787 1.238 5.393 1.00 0.32 C ATOM 532 O PHE A 33 -12.267 2.008 6.201 1.00 0.34 O ATOM 533 CB PHE A 33 -9.878 -0.308 5.919 1.00 0.40 C ATOM 534 CG PHE A 33 -9.373 0.631 6.988 1.00 0.46 C ATOM 535 CD1 PHE A 33 -9.347 0.212 8.324 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.922 1.912 6.647 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.875 1.074 9.319 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.448 2.774 7.644 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.426 2.355 8.979 1.00 0.63 C ATOM 0 H PHE A 33 -11.142 -1.737 4.351 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.872 -0.407 6.758 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.600 -1.333 6.163 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.410 -0.070 4.964 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.692 -0.777 8.586 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.940 2.235 5.617 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -8.857 0.751 10.349 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.099 3.762 7.382 1.00 1.27 H new ATOM 0 HZ PHE A 33 -8.062 3.021 9.748 1.00 0.63 H new ATOM 549 N ILE A 34 -11.566 1.607 4.161 1.00 0.28 N ATOM 550 CA ILE A 34 -11.904 2.995 3.718 1.00 0.27 C ATOM 551 C ILE A 34 -13.402 3.272 3.900 1.00 0.26 C ATOM 552 O ILE A 34 -13.794 4.346 4.312 1.00 0.27 O ATOM 553 CB ILE A 34 -11.510 3.159 2.243 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.982 3.166 2.142 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.072 4.473 1.683 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.551 3.078 0.676 1.00 0.59 C ATOM 0 H ILE A 34 -11.165 1.008 3.439 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.352 3.711 4.328 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.921 2.333 1.662 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.584 4.076 2.592 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.569 2.327 2.702 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.784 4.575 0.637 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.159 4.467 1.762 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.672 5.312 2.253 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.463 3.084 0.616 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.934 2.156 0.239 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.949 3.932 0.128 1.00 0.59 H new ATOM 568 N MET A 35 -14.241 2.326 3.586 1.00 0.27 N ATOM 569 CA MET A 35 -15.709 2.551 3.728 1.00 0.29 C ATOM 570 C MET A 35 -16.062 2.865 5.187 1.00 0.29 C ATOM 571 O MET A 35 -16.909 3.691 5.465 1.00 0.31 O ATOM 572 CB MET A 35 -16.453 1.281 3.313 1.00 0.37 C ATOM 573 CG MET A 35 -16.322 1.070 1.804 1.00 0.44 C ATOM 574 SD MET A 35 -17.144 -0.479 1.351 1.00 0.69 S ATOM 575 CE MET A 35 -16.008 -0.972 0.031 1.00 0.47 C ATOM 0 H MET A 35 -13.975 1.405 3.237 1.00 0.27 H new ATOM 0 HA MET A 35 -15.998 3.391 3.096 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.047 0.421 3.846 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.505 1.359 3.588 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.771 1.905 1.267 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.271 1.036 1.519 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.516 -1.655 -0.650 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.683 -0.088 -0.518 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.141 -1.470 0.465 1.00 0.47 H new ATOM 585 N ASP A 36 -15.444 2.188 6.116 1.00 0.31 N ATOM 586 CA ASP A 36 -15.770 2.418 7.552 1.00 0.37 C ATOM 587 C ASP A 36 -15.302 3.800 8.024 1.00 0.38 C ATOM 588 O ASP A 36 -16.063 4.553 8.597 1.00 0.45 O ATOM 589 CB ASP A 36 -15.088 1.341 8.399 1.00 0.43 C ATOM 590 CG ASP A 36 -15.762 -0.011 8.153 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.883 -0.014 7.672 1.00 1.17 O ATOM 592 OD2 ASP A 36 -15.143 -1.021 8.446 1.00 1.12 O ATOM 0 H ASP A 36 -14.726 1.484 5.942 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.853 2.370 7.666 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.029 1.282 8.146 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.149 1.602 9.455 1.00 0.43 H new ATOM 597 N ARG A 37 -14.055 4.134 7.820 1.00 0.39 N ATOM 598 CA ARG A 37 -13.561 5.460 8.295 1.00 0.46 C ATOM 599 C ARG A 37 -14.176 6.581 7.455 1.00 0.45 C ATOM 600 O ARG A 37 -14.599 7.595 7.977 1.00 0.59 O ATOM 601 CB ARG A 37 -12.034 5.506 8.178 1.00 0.53 C ATOM 602 CG ARG A 37 -11.407 4.367 8.997 1.00 1.16 C ATOM 603 CD ARG A 37 -11.294 4.749 10.477 1.00 1.28 C ATOM 604 NE ARG A 37 -11.056 3.513 11.273 1.00 1.77 N ATOM 605 CZ ARG A 37 -10.662 3.594 12.514 1.00 2.16 C ATOM 606 NH1 ARG A 37 -10.464 4.761 13.063 1.00 2.31 N ATOM 607 NH2 ARG A 37 -10.470 2.504 13.206 1.00 3.00 N ATOM 0 H ARG A 37 -13.362 3.552 7.349 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.852 5.599 9.336 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.739 5.418 7.132 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.663 6.467 8.534 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.012 3.466 8.896 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.418 4.133 8.602 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.477 5.456 10.623 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -12.207 5.243 10.810 1.00 1.28 H new ATOM 0 HE ARG A 37 -11.202 2.598 10.846 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.617 5.612 12.522 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -10.156 4.822 14.033 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -10.628 1.593 12.776 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -10.162 2.564 14.177 1.00 3.00 H new ATOM 621 N PHE A 38 -14.238 6.404 6.161 1.00 0.40 N ATOM 622 CA PHE A 38 -14.832 7.446 5.269 1.00 0.41 C ATOM 623 C PHE A 38 -16.100 6.864 4.624 1.00 0.39 C ATOM 624 O PHE A 38 -16.010 6.081 3.700 1.00 0.51 O ATOM 625 CB PHE A 38 -13.824 7.805 4.171 1.00 0.43 C ATOM 626 CG PHE A 38 -12.495 8.170 4.793 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.282 9.463 5.285 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.471 7.218 4.869 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.048 9.805 5.853 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.238 7.557 5.437 1.00 1.54 C ATOM 631 CZ PHE A 38 -10.026 8.851 5.928 1.00 0.82 C ATOM 0 H PHE A 38 -13.899 5.572 5.678 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.076 8.341 5.842 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.698 6.962 3.491 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.200 8.639 3.579 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.071 10.199 5.227 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.633 6.220 4.489 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -10.885 10.803 6.232 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.450 6.821 5.497 1.00 1.54 H new ATOM 0 HZ PHE A 38 -9.074 9.113 6.365 1.00 0.82 H new ATOM 641 N PRO A 39 -17.276 7.206 5.105 1.00 0.53 N ATOM 642 CA PRO A 39 -18.547 6.660 4.546 1.00 0.55 C ATOM 643 C PRO A 39 -18.988 7.379 3.269 1.00 0.47 C ATOM 644 O PRO A 39 -19.933 6.981 2.619 1.00 0.47 O ATOM 645 CB PRO A 39 -19.551 6.886 5.677 1.00 0.70 C ATOM 646 CG PRO A 39 -19.074 8.125 6.362 1.00 1.21 C ATOM 647 CD PRO A 39 -17.544 8.142 6.216 1.00 0.88 C ATOM 0 HA PRO A 39 -18.448 5.616 4.249 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.562 7.011 5.290 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.574 6.038 6.362 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.517 9.013 5.911 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.364 8.123 7.413 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.176 9.143 5.991 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.053 7.821 7.135 1.00 0.88 H new ATOM 655 N PHE A 40 -18.313 8.427 2.896 1.00 0.44 N ATOM 656 CA PHE A 40 -18.706 9.145 1.654 1.00 0.42 C ATOM 657 C PHE A 40 -18.599 8.160 0.488 1.00 0.34 C ATOM 658 O PHE A 40 -19.379 8.176 -0.442 1.00 0.36 O ATOM 659 CB PHE A 40 -17.764 10.335 1.411 1.00 0.48 C ATOM 660 CG PHE A 40 -17.230 10.847 2.729 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.096 11.045 3.810 1.00 2.34 C ATOM 662 CD2 PHE A 40 -15.866 11.136 2.862 1.00 2.20 C ATOM 663 CE1 PHE A 40 -17.600 11.534 5.025 1.00 3.41 C ATOM 664 CE2 PHE A 40 -15.370 11.623 4.076 1.00 3.29 C ATOM 665 CZ PHE A 40 -16.236 11.824 5.157 1.00 3.74 C ATOM 0 H PHE A 40 -17.512 8.816 3.393 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.724 9.524 1.746 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -16.938 10.031 0.768 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.297 11.131 0.891 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.147 10.821 3.707 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.197 10.983 2.028 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.268 11.687 5.859 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -14.318 11.844 4.179 1.00 3.29 H new ATOM 0 HZ PHE A 40 -15.853 12.203 6.093 1.00 3.74 H new ATOM 675 N TYR A 41 -17.611 7.315 0.548 1.00 0.27 N ATOM 676 CA TYR A 41 -17.385 6.319 -0.530 1.00 0.25 C ATOM 677 C TYR A 41 -18.557 5.333 -0.601 1.00 0.29 C ATOM 678 O TYR A 41 -18.820 4.752 -1.633 1.00 0.35 O ATOM 679 CB TYR A 41 -16.080 5.585 -0.232 1.00 0.23 C ATOM 680 CG TYR A 41 -14.945 6.574 -0.354 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.578 7.356 0.747 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.271 6.723 -1.571 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.537 8.285 0.633 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.230 7.647 -1.690 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.860 8.431 -0.588 1.00 0.34 C ATOM 686 OH TYR A 41 -11.832 9.343 -0.703 1.00 0.40 O ATOM 0 H TYR A 41 -16.938 7.273 1.314 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.317 6.819 -1.496 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.105 5.156 0.770 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.941 4.758 -0.929 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.099 7.243 1.686 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.557 6.122 -2.421 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.255 8.888 1.483 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.710 7.757 -2.630 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.471 9.316 -1.614 1.00 0.40 H new ATOM 696 N ARG A 42 -19.266 5.137 0.480 1.00 0.33 N ATOM 697 CA ARG A 42 -20.415 4.187 0.439 1.00 0.42 C ATOM 698 C ARG A 42 -21.435 4.662 -0.600 1.00 0.44 C ATOM 699 O ARG A 42 -21.993 3.874 -1.337 1.00 0.53 O ATOM 700 CB ARG A 42 -21.090 4.126 1.813 1.00 0.50 C ATOM 701 CG ARG A 42 -20.172 3.420 2.815 1.00 0.58 C ATOM 702 CD ARG A 42 -20.857 3.365 4.184 1.00 0.63 C ATOM 703 NE ARG A 42 -19.971 2.664 5.157 1.00 1.26 N ATOM 704 CZ ARG A 42 -20.217 2.739 6.438 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.228 3.441 6.870 1.00 1.95 N ATOM 706 NH2 ARG A 42 -19.452 2.109 7.288 1.00 2.51 N ATOM 0 H ARG A 42 -19.101 5.588 1.380 1.00 0.33 H new ATOM 0 HA ARG A 42 -20.048 3.196 0.171 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.316 5.134 2.162 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -22.038 3.594 1.738 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.945 2.412 2.469 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.223 3.951 2.892 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -21.073 4.374 4.535 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.811 2.844 4.104 1.00 0.63 H new ATOM 0 HE ARG A 42 -19.172 2.125 4.822 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.828 3.932 6.207 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.419 3.498 7.870 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -18.662 1.558 6.952 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -19.644 2.168 8.288 1.00 2.51 H new ATOM 720 N GLU A 43 -21.679 5.943 -0.670 1.00 0.42 N ATOM 721 CA GLU A 43 -22.660 6.460 -1.666 1.00 0.48 C ATOM 722 C GLU A 43 -22.082 6.320 -3.071 1.00 0.45 C ATOM 723 O GLU A 43 -22.764 5.963 -4.012 1.00 0.66 O ATOM 724 CB GLU A 43 -22.954 7.933 -1.376 1.00 0.62 C ATOM 725 CG GLU A 43 -23.762 8.046 -0.080 1.00 1.27 C ATOM 726 CD GLU A 43 -25.171 7.493 -0.302 1.00 1.75 C ATOM 727 OE1 GLU A 43 -25.885 8.054 -1.117 1.00 2.28 O ATOM 728 OE2 GLU A 43 -25.512 6.517 0.346 1.00 2.34 O ATOM 0 H GLU A 43 -21.242 6.652 -0.081 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.584 5.886 -1.597 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.022 8.490 -1.286 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.510 8.374 -2.203 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -23.266 7.494 0.719 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.815 9.087 0.237 1.00 1.27 H new ATOM 735 N ASN A 44 -20.818 6.592 -3.204 1.00 0.44 N ATOM 736 CA ASN A 44 -20.138 6.478 -4.531 1.00 0.43 C ATOM 737 C ASN A 44 -19.305 5.197 -4.542 1.00 0.37 C ATOM 738 O ASN A 44 -18.227 5.145 -3.985 1.00 0.47 O ATOM 739 CB ASN A 44 -19.213 7.681 -4.737 1.00 0.54 C ATOM 740 CG ASN A 44 -18.775 7.743 -6.201 1.00 1.30 C ATOM 741 OD1 ASN A 44 -17.691 7.311 -6.542 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.577 8.266 -7.088 1.00 1.97 N ATOM 0 H ASN A 44 -20.213 6.894 -2.440 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.881 6.453 -5.328 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.729 8.601 -4.461 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.341 7.598 -4.089 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -19.294 8.312 -8.067 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -20.487 8.629 -6.802 1.00 1.97 H new ATOM 749 N LYS A 45 -19.800 4.157 -5.155 1.00 0.49 N ATOM 750 CA LYS A 45 -19.041 2.874 -5.183 1.00 0.61 C ATOM 751 C LYS A 45 -18.210 2.771 -6.462 1.00 0.71 C ATOM 752 O LYS A 45 -16.997 2.799 -6.428 1.00 0.97 O ATOM 753 CB LYS A 45 -20.035 1.714 -5.124 1.00 0.76 C ATOM 754 CG LYS A 45 -20.753 1.738 -3.773 1.00 0.74 C ATOM 755 CD LYS A 45 -21.752 0.582 -3.699 1.00 0.93 C ATOM 756 CE LYS A 45 -22.465 0.614 -2.345 1.00 1.11 C ATOM 757 NZ LYS A 45 -23.440 -0.510 -2.268 1.00 1.68 N ATOM 0 H LYS A 45 -20.698 4.140 -5.638 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.366 2.836 -4.328 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.758 1.797 -5.936 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.514 0.766 -5.256 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -20.028 1.657 -2.963 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.271 2.688 -3.643 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.479 0.662 -4.507 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.235 -0.369 -3.828 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -21.737 0.534 -1.537 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.981 1.566 -2.216 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.924 -0.487 -1.348 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -24.141 -0.414 -3.030 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -22.937 -1.414 -2.372 1.00 1.68 H new ATOM 771 N GLN A 46 -18.846 2.635 -7.591 1.00 0.95 N ATOM 772 CA GLN A 46 -18.080 2.506 -8.862 1.00 1.12 C ATOM 773 C GLN A 46 -17.289 3.786 -9.138 1.00 0.71 C ATOM 774 O GLN A 46 -17.773 4.881 -8.935 1.00 1.16 O ATOM 775 CB GLN A 46 -19.055 2.259 -10.014 1.00 1.90 C ATOM 776 CG GLN A 46 -19.667 0.865 -9.869 1.00 2.64 C ATOM 777 CD GLN A 46 -20.742 0.660 -10.938 1.00 3.38 C ATOM 778 OE1 GLN A 46 -21.238 1.611 -11.508 1.00 3.81 O ATOM 779 NE2 GLN A 46 -21.129 -0.551 -11.232 1.00 3.98 N ATOM 0 H GLN A 46 -19.861 2.608 -7.689 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.385 1.671 -8.774 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.840 3.015 -10.010 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.536 2.343 -10.969 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.892 0.105 -9.968 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.101 0.749 -8.876 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.713 -1.350 -10.753 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.848 -0.699 -11.940 1.00 3.98 H new ATOM 788 N GLY A 47 -16.078 3.647 -9.619 1.00 0.78 N ATOM 789 CA GLY A 47 -15.233 4.840 -9.943 1.00 0.73 C ATOM 790 C GLY A 47 -13.996 4.885 -9.042 1.00 0.54 C ATOM 791 O GLY A 47 -12.877 4.864 -9.514 1.00 0.64 O ATOM 0 H GLY A 47 -15.633 2.748 -9.803 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.927 4.802 -10.988 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.817 5.752 -9.814 1.00 0.73 H new ATOM 795 N TRP A 48 -14.183 4.968 -7.752 1.00 0.44 N ATOM 796 CA TRP A 48 -13.009 5.042 -6.832 1.00 0.33 C ATOM 797 C TRP A 48 -12.487 3.638 -6.505 1.00 0.31 C ATOM 798 O TRP A 48 -11.327 3.456 -6.189 1.00 0.37 O ATOM 799 CB TRP A 48 -13.424 5.755 -5.538 1.00 0.36 C ATOM 800 CG TRP A 48 -14.235 4.849 -4.662 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.578 4.698 -4.722 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.773 3.978 -3.588 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.970 3.792 -3.752 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.894 3.321 -3.027 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.504 3.699 -3.051 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.760 2.420 -1.967 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.365 2.794 -1.988 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.491 2.157 -1.447 1.00 0.42 C ATOM 0 H TRP A 48 -15.095 4.988 -7.296 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.211 5.600 -7.323 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.536 6.087 -5.001 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.002 6.647 -5.779 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.237 5.202 -5.414 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.936 3.507 -3.592 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.630 4.185 -3.460 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.630 1.932 -1.554 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.385 2.587 -1.584 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.377 1.463 -0.628 1.00 0.42 H new ATOM 819 N GLN A 49 -13.338 2.654 -6.542 1.00 0.41 N ATOM 820 CA GLN A 49 -12.896 1.273 -6.194 1.00 0.47 C ATOM 821 C GLN A 49 -11.786 0.773 -7.125 1.00 0.37 C ATOM 822 O GLN A 49 -10.847 0.142 -6.688 1.00 0.38 O ATOM 823 CB GLN A 49 -14.089 0.321 -6.290 1.00 0.65 C ATOM 824 CG GLN A 49 -15.073 0.608 -5.155 1.00 1.21 C ATOM 825 CD GLN A 49 -16.280 -0.325 -5.287 1.00 1.35 C ATOM 826 OE1 GLN A 49 -16.861 -0.437 -6.349 1.00 1.96 O ATOM 827 NE2 GLN A 49 -16.678 -1.008 -4.250 1.00 1.59 N ATOM 0 H GLN A 49 -14.321 2.744 -6.798 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.500 1.298 -5.179 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.585 0.441 -7.253 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -13.747 -0.712 -6.234 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -14.587 0.460 -4.190 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -15.397 1.648 -5.192 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -16.190 -0.914 -3.359 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -17.477 -1.637 -4.330 1.00 1.59 H new ATOM 836 N ASN A 50 -11.892 1.010 -8.402 1.00 0.37 N ATOM 837 CA ASN A 50 -10.847 0.503 -9.341 1.00 0.39 C ATOM 838 C ASN A 50 -9.575 1.357 -9.292 1.00 0.34 C ATOM 839 O ASN A 50 -8.481 0.862 -9.481 1.00 0.39 O ATOM 840 CB ASN A 50 -11.404 0.511 -10.766 1.00 0.53 C ATOM 841 CG ASN A 50 -12.459 -0.588 -10.909 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.433 -1.567 -10.191 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.392 -0.468 -11.815 1.00 1.28 N ATOM 0 H ASN A 50 -12.653 1.531 -8.838 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.584 -0.510 -9.037 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.844 1.483 -10.990 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.599 0.352 -11.483 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.098 -1.196 -11.919 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.414 0.354 -12.418 1.00 1.28 H new ATOM 850 N SER A 51 -9.702 2.637 -9.078 1.00 0.31 N ATOM 851 CA SER A 51 -8.496 3.518 -9.062 1.00 0.36 C ATOM 852 C SER A 51 -7.505 3.090 -7.974 1.00 0.37 C ATOM 853 O SER A 51 -6.307 3.131 -8.169 1.00 0.50 O ATOM 854 CB SER A 51 -8.927 4.962 -8.806 1.00 0.38 C ATOM 855 OG SER A 51 -7.771 5.767 -8.615 1.00 1.49 O ATOM 0 H SER A 51 -10.589 3.113 -8.913 1.00 0.31 H new ATOM 0 HA SER A 51 -8.002 3.434 -10.030 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.510 5.335 -9.648 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.569 5.012 -7.927 1.00 0.38 H new ATOM 0 HG SER A 51 -8.042 6.695 -8.452 1.00 1.49 H new ATOM 861 N ILE A 52 -7.985 2.717 -6.824 1.00 0.33 N ATOM 862 CA ILE A 52 -7.057 2.327 -5.721 1.00 0.43 C ATOM 863 C ILE A 52 -6.226 1.094 -6.089 1.00 0.42 C ATOM 864 O ILE A 52 -5.011 1.137 -6.082 1.00 0.47 O ATOM 865 CB ILE A 52 -7.891 2.001 -4.483 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.702 3.229 -4.040 1.00 0.62 C ATOM 867 CG2 ILE A 52 -6.984 1.525 -3.350 1.00 0.64 C ATOM 868 CD1 ILE A 52 -7.784 4.416 -3.736 1.00 0.64 C ATOM 0 H ILE A 52 -8.978 2.664 -6.596 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.373 3.156 -5.536 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.589 1.202 -4.734 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.409 3.503 -4.823 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.287 2.982 -3.154 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.588 1.295 -2.472 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.447 0.630 -3.665 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.269 2.309 -3.103 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.385 5.271 -3.425 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -7.094 4.147 -2.936 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.218 4.677 -4.630 1.00 0.64 H new ATOM 880 N ARG A 53 -6.854 -0.010 -6.382 1.00 0.45 N ATOM 881 CA ARG A 53 -6.074 -1.237 -6.712 1.00 0.53 C ATOM 882 C ARG A 53 -5.379 -1.087 -8.067 1.00 0.49 C ATOM 883 O ARG A 53 -4.295 -1.594 -8.273 1.00 0.47 O ATOM 884 CB ARG A 53 -7.008 -2.449 -6.724 1.00 0.76 C ATOM 885 CG ARG A 53 -8.059 -2.302 -7.823 1.00 0.56 C ATOM 886 CD ARG A 53 -9.119 -3.392 -7.651 1.00 0.37 C ATOM 887 NE ARG A 53 -10.009 -3.411 -8.846 1.00 1.42 N ATOM 888 CZ ARG A 53 -10.821 -4.415 -9.043 1.00 1.74 C ATOM 889 NH1 ARG A 53 -10.849 -5.408 -8.197 1.00 1.58 N ATOM 890 NH2 ARG A 53 -11.606 -4.425 -10.086 1.00 2.76 N ATOM 0 H ARG A 53 -7.868 -0.117 -6.408 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.306 -1.383 -5.952 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -6.430 -3.359 -6.884 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.497 -2.548 -5.755 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.521 -1.316 -7.772 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.591 -2.384 -8.804 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.640 -4.363 -7.525 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.705 -3.206 -6.751 1.00 0.37 H new ATOM 0 HE ARG A 53 -9.984 -2.638 -9.512 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.237 -5.400 -7.381 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.483 -6.192 -8.351 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -11.585 -3.649 -10.747 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -12.240 -5.209 -10.240 1.00 2.76 H new ATOM 904 N HIS A 54 -5.983 -0.395 -8.989 1.00 0.52 N ATOM 905 CA HIS A 54 -5.339 -0.219 -10.321 1.00 0.59 C ATOM 906 C HIS A 54 -3.992 0.485 -10.144 1.00 0.53 C ATOM 907 O HIS A 54 -3.026 0.173 -10.807 1.00 0.59 O ATOM 908 CB HIS A 54 -6.236 0.628 -11.226 1.00 0.67 C ATOM 909 CG HIS A 54 -5.573 0.798 -12.566 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.902 1.957 -12.922 1.00 1.81 N ATOM 911 CD2 HIS A 54 -5.464 -0.044 -13.647 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.424 1.784 -14.167 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.738 0.582 -14.656 1.00 2.48 N ATOM 0 H HIS A 54 -6.892 0.056 -8.880 1.00 0.52 H new ATOM 0 HA HIS A 54 -5.188 -1.197 -10.778 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -7.207 0.148 -11.346 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.416 1.602 -10.770 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.879 -1.040 -13.705 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.855 2.527 -14.706 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -4.497 0.204 -15.572 1.00 2.48 H new ATOM 921 N ASN A 55 -3.935 1.453 -9.273 1.00 0.46 N ATOM 922 CA ASN A 55 -2.670 2.215 -9.068 1.00 0.50 C ATOM 923 C ASN A 55 -1.607 1.349 -8.383 1.00 0.45 C ATOM 924 O ASN A 55 -0.430 1.640 -8.455 1.00 0.51 O ATOM 925 CB ASN A 55 -2.968 3.419 -8.174 1.00 0.53 C ATOM 926 CG ASN A 55 -3.858 4.405 -8.929 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.777 4.514 -10.136 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.722 5.123 -8.265 1.00 1.97 N ATOM 0 H ASN A 55 -4.716 1.752 -8.689 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.290 2.529 -10.040 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.463 3.093 -7.259 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.038 3.905 -7.878 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.330 5.776 -8.760 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -4.790 5.031 -7.251 1.00 1.97 H new ATOM 935 N LEU A 56 -1.996 0.307 -7.701 1.00 0.39 N ATOM 936 CA LEU A 56 -0.976 -0.531 -7.005 1.00 0.39 C ATOM 937 C LEU A 56 0.023 -1.107 -8.013 1.00 0.44 C ATOM 938 O LEU A 56 1.220 -1.015 -7.828 1.00 0.78 O ATOM 939 CB LEU A 56 -1.666 -1.686 -6.276 1.00 0.44 C ATOM 940 CG LEU A 56 -2.471 -1.161 -5.077 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.252 -2.324 -4.453 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.535 -0.542 -4.022 1.00 0.53 C ATOM 0 H LEU A 56 -2.963 0.001 -7.595 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.444 0.097 -6.290 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.328 -2.214 -6.963 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -0.921 -2.405 -5.935 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.159 -0.389 -5.422 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.827 -1.961 -3.601 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -3.930 -2.746 -5.195 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.555 -3.093 -4.119 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.125 -0.176 -3.182 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.833 -1.298 -3.671 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.984 0.287 -4.466 1.00 0.53 H new ATOM 954 N SER A 57 -0.449 -1.709 -9.071 1.00 0.55 N ATOM 955 CA SER A 57 0.494 -2.293 -10.068 1.00 0.61 C ATOM 956 C SER A 57 1.391 -1.192 -10.637 1.00 0.64 C ATOM 957 O SER A 57 2.574 -1.382 -10.836 1.00 0.69 O ATOM 958 CB SER A 57 -0.294 -2.950 -11.201 1.00 0.71 C ATOM 959 OG SER A 57 -1.111 -3.981 -10.665 1.00 1.60 O ATOM 0 H SER A 57 -1.439 -1.821 -9.287 1.00 0.55 H new ATOM 0 HA SER A 57 1.113 -3.044 -9.578 1.00 0.61 H new ATOM 0 HB2 SER A 57 -0.910 -2.208 -11.709 1.00 0.71 H new ATOM 0 HB3 SER A 57 0.389 -3.360 -11.945 1.00 0.71 H new ATOM 0 HG SER A 57 -1.620 -4.404 -11.388 1.00 1.60 H new ATOM 965 N LEU A 58 0.840 -0.037 -10.891 1.00 0.65 N ATOM 966 CA LEU A 58 1.665 1.078 -11.436 1.00 0.73 C ATOM 967 C LEU A 58 2.683 1.509 -10.379 1.00 0.69 C ATOM 968 O LEU A 58 3.819 1.815 -10.680 1.00 0.76 O ATOM 969 CB LEU A 58 0.759 2.267 -11.779 1.00 0.81 C ATOM 970 CG LEU A 58 0.135 2.078 -13.164 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.733 0.821 -13.172 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.733 3.295 -13.492 1.00 1.31 C ATOM 0 H LEU A 58 -0.145 0.183 -10.745 1.00 0.65 H new ATOM 0 HA LEU A 58 2.182 0.744 -12.336 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.026 2.363 -11.029 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.336 3.191 -11.756 1.00 0.81 H new ATOM 0 HG LEU A 58 0.925 1.974 -13.908 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.175 0.690 -14.160 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -0.119 -0.047 -12.932 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.525 0.921 -12.430 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -1.181 3.167 -14.477 1.00 1.31 H new ATOM 0 HD22 LEU A 58 -1.521 3.392 -12.745 1.00 1.31 H new ATOM 0 HD23 LEU A 58 -0.116 4.194 -13.487 1.00 1.31 H new ATOM 984 N ASN A 59 2.272 1.553 -9.142 1.00 0.62 N ATOM 985 CA ASN A 59 3.203 1.988 -8.065 1.00 0.61 C ATOM 986 C ASN A 59 4.161 0.850 -7.715 1.00 0.56 C ATOM 987 O ASN A 59 3.766 -0.175 -7.195 1.00 0.52 O ATOM 988 CB ASN A 59 2.395 2.365 -6.825 1.00 0.64 C ATOM 989 CG ASN A 59 1.583 3.627 -7.113 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.012 4.482 -7.863 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.415 3.775 -6.554 1.00 1.29 N ATOM 0 H ASN A 59 1.332 1.307 -8.831 1.00 0.62 H new ATOM 0 HA ASN A 59 3.777 2.848 -8.410 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.730 1.547 -6.548 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.062 2.534 -5.980 1.00 0.64 H new ATOM 0 HD21 ASN A 59 -0.140 4.609 -6.746 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.056 3.057 -5.925 1.00 1.29 H new ATOM 998 N GLU A 60 5.421 1.034 -7.988 1.00 0.62 N ATOM 999 CA GLU A 60 6.426 -0.016 -7.669 1.00 0.65 C ATOM 1000 C GLU A 60 6.954 0.227 -6.253 1.00 0.58 C ATOM 1001 O GLU A 60 7.707 -0.559 -5.712 1.00 0.55 O ATOM 1002 CB GLU A 60 7.570 0.082 -8.679 1.00 0.84 C ATOM 1003 CG GLU A 60 7.031 -0.220 -10.080 1.00 0.97 C ATOM 1004 CD GLU A 60 8.157 -0.075 -11.106 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.225 0.376 -10.724 1.00 2.02 O ATOM 1006 OE2 GLU A 60 7.932 -0.416 -12.255 1.00 2.17 O ATOM 0 H GLU A 60 5.801 1.875 -8.423 1.00 0.62 H new ATOM 0 HA GLU A 60 5.979 -1.009 -7.723 1.00 0.65 H new ATOM 0 HB2 GLU A 60 8.010 1.079 -8.653 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.361 -0.622 -8.421 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.623 -1.230 -10.114 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.215 0.462 -10.322 1.00 0.97 H new ATOM 1013 N CYS A 61 6.558 1.319 -5.654 1.00 0.62 N ATOM 1014 CA CYS A 61 7.024 1.637 -4.273 1.00 0.65 C ATOM 1015 C CYS A 61 6.537 0.561 -3.300 1.00 0.53 C ATOM 1016 O CYS A 61 7.236 0.186 -2.380 1.00 0.57 O ATOM 1017 CB CYS A 61 6.470 2.998 -3.848 1.00 0.78 C ATOM 1018 SG CYS A 61 4.662 2.946 -3.863 1.00 1.56 S ATOM 0 H CYS A 61 5.928 2.008 -6.065 1.00 0.62 H new ATOM 0 HA CYS A 61 8.114 1.666 -4.260 1.00 0.65 H new ATOM 0 HB2 CYS A 61 6.829 3.253 -2.851 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.828 3.775 -4.524 1.00 0.78 H new ATOM 0 HG CYS A 61 4.251 1.940 -3.149 1.00 1.56 H new ATOM 1024 N PHE A 62 5.344 0.064 -3.487 1.00 0.46 N ATOM 1025 CA PHE A 62 4.829 -0.982 -2.560 1.00 0.40 C ATOM 1026 C PHE A 62 5.461 -2.322 -2.938 1.00 0.44 C ATOM 1027 O PHE A 62 5.899 -2.511 -4.056 1.00 0.55 O ATOM 1028 CB PHE A 62 3.307 -1.090 -2.683 1.00 0.44 C ATOM 1029 CG PHE A 62 2.668 0.246 -2.381 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.549 0.687 -1.058 1.00 1.27 C ATOM 1031 CD2 PHE A 62 2.194 1.046 -3.430 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.955 1.924 -0.782 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.599 2.282 -3.153 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.481 2.722 -1.829 1.00 0.59 C ATOM 0 H PHE A 62 4.708 0.335 -4.237 1.00 0.46 H new ATOM 0 HA PHE A 62 5.083 -0.718 -1.534 1.00 0.40 H new ATOM 0 HB2 PHE A 62 3.037 -1.412 -3.689 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.931 -1.846 -1.994 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.916 0.072 -0.249 1.00 1.27 H new ATOM 0 HD2 PHE A 62 2.288 0.709 -4.452 1.00 1.29 H new ATOM 0 HE1 PHE A 62 1.863 2.263 0.239 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.231 2.897 -3.961 1.00 1.32 H new ATOM 0 HZ PHE A 62 1.024 3.677 -1.616 1.00 0.59 H new ATOM 1044 N VAL A 63 5.527 -3.245 -2.014 1.00 0.46 N ATOM 1045 CA VAL A 63 6.147 -4.576 -2.302 1.00 0.55 C ATOM 1046 C VAL A 63 5.114 -5.682 -2.081 1.00 0.45 C ATOM 1047 O VAL A 63 4.465 -5.743 -1.056 1.00 0.45 O ATOM 1048 CB VAL A 63 7.325 -4.781 -1.349 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.982 -6.136 -1.620 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.346 -3.662 -1.562 1.00 0.91 C ATOM 0 H VAL A 63 5.175 -3.134 -1.063 1.00 0.46 H new ATOM 0 HA VAL A 63 6.491 -4.611 -3.336 1.00 0.55 H new ATOM 0 HB VAL A 63 6.967 -4.759 -0.320 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.821 -6.277 -0.938 1.00 0.85 H new ATOM 0 HG12 VAL A 63 7.252 -6.931 -1.467 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.342 -6.167 -2.649 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.188 -3.804 -0.884 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.701 -3.685 -2.592 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.877 -2.699 -1.361 1.00 0.91 H new ATOM 1060 N LYS A 64 4.960 -6.563 -3.032 1.00 0.53 N ATOM 1061 CA LYS A 64 3.974 -7.667 -2.867 1.00 0.56 C ATOM 1062 C LYS A 64 4.475 -8.644 -1.803 1.00 0.54 C ATOM 1063 O LYS A 64 5.654 -8.919 -1.703 1.00 0.77 O ATOM 1064 CB LYS A 64 3.798 -8.416 -4.192 1.00 0.84 C ATOM 1065 CG LYS A 64 3.065 -7.535 -5.203 1.00 0.94 C ATOM 1066 CD LYS A 64 2.903 -8.308 -6.513 1.00 1.11 C ATOM 1067 CE LYS A 64 2.055 -7.497 -7.494 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.062 -8.166 -8.825 1.00 1.81 N ATOM 0 H LYS A 64 5.473 -6.566 -3.914 1.00 0.53 H new ATOM 0 HA LYS A 64 3.017 -7.244 -2.561 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.772 -8.703 -4.588 1.00 0.84 H new ATOM 0 HB3 LYS A 64 3.237 -9.336 -4.026 1.00 0.84 H new ATOM 0 HG2 LYS A 64 2.089 -7.247 -4.813 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.624 -6.615 -5.375 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.881 -8.513 -6.948 1.00 1.11 H new ATOM 0 HD3 LYS A 64 2.431 -9.272 -6.321 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.034 -7.411 -7.124 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.449 -6.484 -7.582 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.486 -7.616 -9.493 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 3.038 -8.226 -9.178 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.667 -9.124 -8.734 1.00 1.81 H new ATOM 1082 N VAL A 65 3.577 -9.173 -1.014 1.00 0.50 N ATOM 1083 CA VAL A 65 3.963 -10.146 0.052 1.00 0.57 C ATOM 1084 C VAL A 65 3.107 -11.407 -0.108 1.00 0.63 C ATOM 1085 O VAL A 65 2.049 -11.511 0.480 1.00 0.84 O ATOM 1086 CB VAL A 65 3.682 -9.535 1.427 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.120 -10.514 2.519 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.461 -8.228 1.579 1.00 0.69 C ATOM 0 H VAL A 65 2.579 -8.970 -1.063 1.00 0.50 H new ATOM 0 HA VAL A 65 5.023 -10.387 -0.033 1.00 0.57 H new ATOM 0 HB VAL A 65 2.615 -9.334 1.520 1.00 0.69 H new ATOM 0 HG11 VAL A 65 3.920 -10.080 3.499 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.565 -11.446 2.416 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.187 -10.714 2.422 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.259 -7.796 2.559 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.528 -8.427 1.484 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.152 -7.528 0.803 1.00 0.69 H new ATOM 1098 N PRO A 66 3.540 -12.353 -0.901 1.00 0.81 N ATOM 1099 CA PRO A 66 2.768 -13.607 -1.129 1.00 0.96 C ATOM 1100 C PRO A 66 2.236 -14.200 0.179 1.00 0.95 C ATOM 1101 O PRO A 66 2.500 -13.701 1.255 1.00 1.13 O ATOM 1102 CB PRO A 66 3.786 -14.541 -1.790 1.00 1.25 C ATOM 1103 CG PRO A 66 4.729 -13.628 -2.506 1.00 1.65 C ATOM 1104 CD PRO A 66 4.803 -12.347 -1.665 1.00 1.18 C ATOM 0 HA PRO A 66 1.881 -13.442 -1.740 1.00 0.96 H new ATOM 0 HB2 PRO A 66 4.307 -15.147 -1.049 1.00 1.25 H new ATOM 0 HB3 PRO A 66 3.301 -15.230 -2.481 1.00 1.25 H new ATOM 0 HG2 PRO A 66 5.713 -14.085 -2.607 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.373 -13.413 -3.514 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.670 -12.352 -1.004 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.886 -11.460 -2.293 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.837 -10.142 0.335 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.895 -8.994 1.283 1.00 0.46 C ATOM 1267 C TYR A 77 0.079 -7.912 0.811 1.00 0.38 C ATOM 1268 O TYR A 77 1.016 -8.187 0.087 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.519 -9.465 2.693 1.00 0.65 C ATOM 1270 CG TYR A 77 -1.265 -10.743 3.033 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.655 -10.829 2.853 1.00 1.23 C ATOM 1272 CD2 TYR A 77 -0.561 -11.851 3.525 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -3.331 -12.016 3.163 1.00 1.32 C ATOM 1274 CE2 TYR A 77 -1.239 -13.036 3.833 1.00 1.38 C ATOM 1275 CZ TYR A 77 -2.623 -13.120 3.652 1.00 0.70 C ATOM 1276 OH TYR A 77 -3.291 -14.289 3.954 1.00 0.90 O ATOM 0 HA TYR A 77 -1.906 -8.587 1.311 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.556 -9.635 2.753 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.760 -8.690 3.420 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -3.204 -9.979 2.475 1.00 1.23 H new ATOM 0 HD2 TYR A 77 0.508 -11.790 3.667 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -4.400 -12.079 3.024 1.00 1.32 H new ATOM 0 HE2 TYR A 77 -0.692 -13.887 4.211 1.00 1.38 H new ATOM 0 HH TYR A 77 -2.652 -14.956 4.280 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.152 -6.682 1.194 1.00 0.32 N ATOM 1287 CA TRP A 78 0.734 -5.558 0.755 1.00 0.31 C ATOM 1288 C TRP A 78 1.359 -4.880 1.976 1.00 0.32 C ATOM 1289 O TRP A 78 0.719 -4.693 2.991 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.116 -4.546 -0.015 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.586 -5.179 -1.285 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.642 -6.019 -1.390 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.032 -5.045 -2.626 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -1.770 -6.411 -2.711 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -0.801 -5.838 -3.511 1.00 0.38 C ATOM 1296 CE3 TRP A 78 1.052 -4.323 -3.155 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -0.504 -5.909 -4.874 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 1.353 -4.391 -4.524 1.00 0.45 C ATOM 1299 CH2 TRP A 78 0.577 -5.182 -5.382 1.00 0.46 C ATOM 0 H TRP A 78 -0.925 -6.404 1.799 1.00 0.32 H new ATOM 0 HA TRP A 78 1.533 -5.941 0.120 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -0.968 -4.232 0.588 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.467 -3.651 -0.233 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.280 -6.332 -0.577 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.492 -7.046 -3.052 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.658 -3.711 -2.503 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.105 -6.521 -5.531 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 2.188 -3.830 -4.919 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.814 -5.230 -6.435 1.00 0.46 H new ATOM 1310 N THR A 79 2.613 -4.515 1.886 1.00 0.33 N ATOM 1311 CA THR A 79 3.292 -3.853 3.040 1.00 0.37 C ATOM 1312 C THR A 79 4.289 -2.810 2.526 1.00 0.40 C ATOM 1313 O THR A 79 4.718 -2.853 1.390 1.00 0.45 O ATOM 1314 CB THR A 79 4.037 -4.911 3.865 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.430 -4.346 5.108 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.280 -5.391 3.107 1.00 0.56 C ATOM 0 H THR A 79 3.197 -4.648 1.060 1.00 0.33 H new ATOM 0 HA THR A 79 2.547 -3.359 3.664 1.00 0.37 H new ATOM 0 HB THR A 79 3.376 -5.761 4.038 1.00 0.49 H new ATOM 0 HG1 THR A 79 4.905 -5.020 5.638 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.801 -6.141 3.701 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.979 -5.827 2.154 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.944 -4.546 2.926 1.00 0.56 H new ATOM 1324 N LEU A 80 4.674 -1.882 3.360 1.00 0.45 N ATOM 1325 CA LEU A 80 5.659 -0.850 2.927 1.00 0.53 C ATOM 1326 C LEU A 80 7.052 -1.481 2.896 1.00 0.74 C ATOM 1327 O LEU A 80 7.251 -2.585 3.365 1.00 1.42 O ATOM 1328 CB LEU A 80 5.662 0.320 3.916 1.00 0.54 C ATOM 1329 CG LEU A 80 4.290 1.008 3.938 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.262 2.036 5.077 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.025 1.715 2.599 1.00 0.81 C ATOM 0 H LEU A 80 4.349 -1.794 4.323 1.00 0.45 H new ATOM 0 HA LEU A 80 5.387 -0.482 1.938 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.911 -0.040 4.914 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.432 1.039 3.636 1.00 0.54 H new ATOM 0 HG LEU A 80 3.516 0.257 4.096 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.290 2.529 5.099 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.434 1.531 6.027 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.042 2.780 4.915 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.048 2.198 2.630 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.796 2.466 2.425 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.042 0.983 1.791 1.00 0.81 H new