USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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 96 THR OG1 : rot 106:sc= 0.965 USER MOD Set 1.2: A 98 THR OG1 : rot 179:sc= 1.02 USER MOD Set 2.1: A 81 MET CE :methyl -143:sc= -1.73 (180deg=-6.15!) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.2: A 56 THR OG1 : rot 111:sc= 1.23 USER MOD Set 4.1: A 52 THR OG1 : rot -97:sc= 1.14 USER MOD Set 4.2: A 54 THR OG1 : rot 27:sc= 1.26 USER MOD Set 5.1: A 11 ASN : amide:sc= -0.493 K(o=-0.46,f=-2) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 3 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 1.12 (180deg=1.05) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.14) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= -1.65! USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0207 (180deg=-0.224) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.0258 X(o=0.026,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 0.234 (180deg=0.112) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.24 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.871) USER MOD Single : A 84 THR OG1 : rot 168:sc= -0.429 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.847 K(o=-0.85,f=-5!) USER MOD Single : A 99 THR OG1 : rot 43:sc= 0.0904 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.812 6.057 -1.111 1.00 0.62 N ATOM 22 CA HIS A 3 -36.549 5.346 -0.976 1.00 0.44 C ATOM 23 C HIS A 3 -35.795 5.354 -2.298 1.00 0.40 C ATOM 24 O HIS A 3 -36.381 5.600 -3.351 1.00 0.53 O ATOM 25 CB HIS A 3 -36.783 3.897 -0.534 1.00 0.55 C ATOM 26 CG HIS A 3 -37.530 3.767 0.755 1.00 1.04 C ATOM 27 ND1 HIS A 3 -38.751 3.143 0.861 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.219 4.191 1.999 1.00 1.91 C ATOM 29 CE1 HIS A 3 -39.158 3.189 2.114 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.242 3.818 2.828 1.00 2.50 N ATOM 0 HA HIS A 3 -35.956 5.856 -0.216 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.334 3.374 -1.316 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.819 3.398 -0.435 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -36.326 4.726 2.287 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -40.084 2.781 2.493 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -38.289 3.996 3.831 1.00 2.50 H new ATOM 39 N MET A 4 -34.498 5.084 -2.247 1.00 0.38 N ATOM 40 CA MET A 4 -33.685 5.013 -3.449 1.00 0.41 C ATOM 41 C MET A 4 -32.736 3.834 -3.323 1.00 0.37 C ATOM 42 O MET A 4 -32.626 3.229 -2.254 1.00 0.43 O ATOM 43 CB MET A 4 -32.910 6.318 -3.672 1.00 0.54 C ATOM 44 CG MET A 4 -32.233 6.445 -5.035 1.00 1.29 C ATOM 45 SD MET A 4 -33.253 5.843 -6.395 1.00 1.92 S ATOM 46 CE MET A 4 -32.147 6.098 -7.780 1.00 2.06 C ATOM 0 H MET A 4 -33.986 4.910 -1.382 1.00 0.38 H new ATOM 0 HA MET A 4 -34.331 4.873 -4.316 1.00 0.41 H new ATOM 0 HB2 MET A 4 -33.596 7.156 -3.545 1.00 0.54 H new ATOM 0 HB3 MET A 4 -32.150 6.408 -2.896 1.00 0.54 H new ATOM 0 HG2 MET A 4 -31.983 7.491 -5.213 1.00 1.29 H new ATOM 0 HG3 MET A 4 -31.295 5.891 -5.020 1.00 1.29 H new ATOM 0 HE1 MET A 4 -32.634 5.773 -8.699 1.00 2.06 H new ATOM 0 HE2 MET A 4 -31.897 7.156 -7.856 1.00 2.06 H new ATOM 0 HE3 MET A 4 -31.235 5.520 -7.629 1.00 2.06 H new ATOM 56 N GLN A 5 -32.050 3.526 -4.399 1.00 0.34 N ATOM 57 CA GLN A 5 -31.154 2.386 -4.440 1.00 0.33 C ATOM 58 C GLN A 5 -29.700 2.835 -4.379 1.00 0.29 C ATOM 59 O GLN A 5 -29.241 3.603 -5.225 1.00 0.49 O ATOM 60 CB GLN A 5 -31.399 1.578 -5.720 1.00 0.44 C ATOM 61 CG GLN A 5 -30.531 0.331 -5.857 1.00 0.53 C ATOM 62 CD GLN A 5 -30.729 -0.372 -7.187 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.038 -0.088 -8.163 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.676 -1.290 -7.237 1.00 1.53 N ATOM 0 H GLN A 5 -32.095 4.055 -5.270 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.355 1.759 -3.572 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.447 1.281 -5.752 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.224 2.223 -6.581 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.482 0.609 -5.749 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.763 -0.360 -5.046 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.229 -1.498 -6.406 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.855 -1.791 -8.107 1.00 1.53 H new ATOM 73 N TYR A 6 -28.995 2.383 -3.358 1.00 0.20 N ATOM 74 CA TYR A 6 -27.572 2.671 -3.221 1.00 0.21 C ATOM 75 C TYR A 6 -26.802 1.362 -3.336 1.00 0.23 C ATOM 76 O TYR A 6 -27.244 0.337 -2.808 1.00 0.30 O ATOM 77 CB TYR A 6 -27.249 3.334 -1.855 1.00 0.28 C ATOM 78 CG TYR A 6 -27.711 4.769 -1.720 1.00 0.28 C ATOM 79 CD1 TYR A 6 -28.939 5.074 -1.148 1.00 0.79 C ATOM 80 CD2 TYR A 6 -26.921 5.819 -2.171 1.00 0.78 C ATOM 81 CE1 TYR A 6 -29.366 6.381 -1.026 1.00 0.82 C ATOM 82 CE2 TYR A 6 -27.343 7.131 -2.053 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.553 7.407 -1.462 1.00 0.43 C ATOM 84 OH TYR A 6 -28.983 8.707 -1.356 1.00 0.53 O ATOM 0 H TYR A 6 -29.383 1.812 -2.607 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.282 3.368 -4.007 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.709 2.743 -1.063 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.171 3.298 -1.695 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -29.571 4.274 -0.792 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -25.962 5.608 -2.621 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -30.331 6.599 -0.592 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -26.724 7.935 -2.424 1.00 0.83 H new ATOM 0 HH TYR A 6 -28.294 9.309 -1.706 1.00 0.53 H new ATOM 94 N LYS A 7 -25.687 1.378 -4.047 1.00 0.26 N ATOM 95 CA LYS A 7 -24.876 0.180 -4.185 1.00 0.30 C ATOM 96 C LYS A 7 -23.453 0.418 -3.707 1.00 0.23 C ATOM 97 O LYS A 7 -23.020 1.559 -3.532 1.00 0.31 O ATOM 98 CB LYS A 7 -24.856 -0.364 -5.625 1.00 0.50 C ATOM 99 CG LYS A 7 -24.565 0.669 -6.700 1.00 0.98 C ATOM 100 CD LYS A 7 -23.962 0.013 -7.938 1.00 1.30 C ATOM 101 CE LYS A 7 -24.805 -1.148 -8.429 1.00 1.94 C ATOM 102 NZ LYS A 7 -24.124 -1.903 -9.509 1.00 2.57 N ATOM 0 H LYS A 7 -25.325 2.198 -4.533 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.346 -0.574 -3.553 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.106 -1.153 -5.689 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.821 -0.824 -5.837 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.485 1.187 -6.970 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.878 1.421 -6.311 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -23.867 0.754 -8.732 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -22.956 -0.340 -7.709 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -25.021 -1.818 -7.597 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -25.762 -0.774 -8.794 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -24.791 -2.578 -9.934 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -23.789 -1.241 -10.238 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -23.313 -2.420 -9.113 1.00 2.57 H new ATOM 116 N LEU A 8 -22.748 -0.674 -3.472 1.00 0.22 N ATOM 117 CA LEU A 8 -21.374 -0.631 -2.993 1.00 0.20 C ATOM 118 C LEU A 8 -20.562 -1.713 -3.685 1.00 0.17 C ATOM 119 O LEU A 8 -21.090 -2.781 -3.994 1.00 0.25 O ATOM 120 CB LEU A 8 -21.351 -0.864 -1.470 1.00 0.28 C ATOM 121 CG LEU A 8 -19.969 -0.931 -0.815 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.390 0.458 -0.597 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.061 -1.683 0.498 1.00 0.33 C ATOM 0 H LEU A 8 -23.110 -1.618 -3.607 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.943 0.345 -3.216 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -21.917 -0.064 -0.993 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.875 -1.796 -1.258 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.296 -1.464 -1.487 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.409 0.374 -0.130 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.293 0.967 -1.556 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.052 1.031 0.052 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.075 -1.729 0.961 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.752 -1.167 1.165 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.422 -2.695 0.313 1.00 0.33 H new ATOM 135 N ILE A 9 -19.305 -1.410 -3.970 1.00 0.15 N ATOM 136 CA ILE A 9 -18.401 -2.373 -4.575 1.00 0.14 C ATOM 137 C ILE A 9 -17.237 -2.612 -3.640 1.00 0.13 C ATOM 138 O ILE A 9 -16.556 -1.667 -3.239 1.00 0.17 O ATOM 139 CB ILE A 9 -17.851 -1.895 -5.946 1.00 0.20 C ATOM 140 CG1 ILE A 9 -18.979 -1.790 -6.992 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.759 -2.848 -6.432 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.535 -1.145 -8.296 1.00 0.62 C ATOM 0 H ILE A 9 -18.886 -0.497 -3.790 1.00 0.15 H new ATOM 0 HA ILE A 9 -18.967 -3.289 -4.746 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.423 -0.901 -5.816 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.364 -2.788 -7.202 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.802 -1.212 -6.571 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.379 -2.505 -7.394 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -15.945 -2.869 -5.707 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.173 -3.850 -6.542 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.377 -1.103 -8.986 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.177 -0.135 -8.099 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.732 -1.735 -8.739 1.00 0.62 H new ATOM 154 N LEU A 10 -17.026 -3.863 -3.264 1.00 0.12 N ATOM 155 CA LEU A 10 -15.915 -4.187 -2.393 1.00 0.13 C ATOM 156 C LEU A 10 -14.709 -4.545 -3.234 1.00 0.15 C ATOM 157 O LEU A 10 -14.611 -5.665 -3.741 1.00 0.25 O ATOM 158 CB LEU A 10 -16.213 -5.351 -1.419 1.00 0.14 C ATOM 159 CG LEU A 10 -17.394 -5.197 -0.445 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.530 -3.787 0.058 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.700 -5.672 -1.071 1.00 0.19 C ATOM 0 H LEU A 10 -17.601 -4.658 -3.544 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.727 -3.303 -1.784 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.386 -6.248 -2.014 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.315 -5.530 -0.828 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.177 -5.834 0.413 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.376 -3.725 0.742 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.618 -3.498 0.581 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.694 -3.115 -0.784 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.513 -5.549 -0.355 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.911 -5.083 -1.964 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.612 -6.724 -1.342 1.00 0.19 H new ATOM 173 N ASN A 11 -13.846 -3.568 -3.482 1.00 0.15 N ATOM 174 CA ASN A 11 -12.626 -3.858 -4.201 1.00 0.18 C ATOM 175 C ASN A 11 -11.581 -4.278 -3.185 1.00 0.20 C ATOM 176 O ASN A 11 -10.704 -3.499 -2.806 1.00 0.24 O ATOM 177 CB ASN A 11 -12.102 -2.637 -4.978 1.00 0.24 C ATOM 178 CG ASN A 11 -13.033 -2.080 -6.026 1.00 1.01 C ATOM 179 OD1 ASN A 11 -13.790 -2.804 -6.669 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.956 -0.768 -6.216 1.00 1.33 N ATOM 0 H ASN A 11 -13.968 -2.595 -3.202 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.829 -4.645 -4.928 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.873 -1.846 -4.264 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.164 -2.912 -5.461 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -13.541 -0.320 -6.921 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.312 -0.209 -5.657 1.00 1.33 H new ATOM 187 N GLY A 12 -11.646 -5.534 -2.803 1.00 0.21 N ATOM 188 CA GLY A 12 -10.699 -6.066 -1.858 1.00 0.26 C ATOM 189 C GLY A 12 -10.300 -7.459 -2.251 1.00 0.39 C ATOM 190 O GLY A 12 -11.150 -8.300 -2.507 1.00 0.91 O ATOM 0 H GLY A 12 -12.343 -6.201 -3.133 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.818 -5.426 -1.816 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -11.136 -6.073 -0.859 1.00 0.26 H new ATOM 194 N LYS A 13 -9.001 -7.696 -2.312 1.00 0.44 N ATOM 195 CA LYS A 13 -8.445 -8.968 -2.771 1.00 0.56 C ATOM 196 C LYS A 13 -8.991 -10.167 -1.983 1.00 0.66 C ATOM 197 O LYS A 13 -8.944 -11.297 -2.463 1.00 0.89 O ATOM 198 CB LYS A 13 -6.914 -8.905 -2.672 1.00 0.76 C ATOM 199 CG LYS A 13 -6.365 -7.558 -3.119 1.00 1.17 C ATOM 200 CD LYS A 13 -4.848 -7.553 -3.224 1.00 1.63 C ATOM 201 CE LYS A 13 -4.301 -6.135 -3.352 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.987 -5.351 -4.416 1.00 3.26 N ATOM 0 H LYS A 13 -8.294 -7.011 -2.044 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.748 -9.119 -3.807 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.610 -9.096 -1.643 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.479 -9.694 -3.285 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.794 -7.298 -4.087 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.680 -6.789 -2.414 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.420 -8.031 -2.343 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.540 -8.142 -4.088 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.411 -5.620 -2.398 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.234 -6.179 -3.569 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -4.492 -4.447 -4.555 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -4.978 -5.891 -5.305 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -5.970 -5.167 -4.132 1.00 3.26 H new ATOM 216 N THR A 14 -9.524 -9.913 -0.792 1.00 0.76 N ATOM 217 CA THR A 14 -10.110 -10.970 0.025 1.00 1.06 C ATOM 218 C THR A 14 -11.522 -11.307 -0.457 1.00 0.93 C ATOM 219 O THR A 14 -11.855 -12.471 -0.685 1.00 1.20 O ATOM 220 CB THR A 14 -10.152 -10.546 1.508 1.00 1.44 C ATOM 221 OG1 THR A 14 -10.619 -9.191 1.614 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.773 -10.664 2.145 1.00 1.86 C ATOM 0 H THR A 14 -9.562 -8.985 -0.371 1.00 0.76 H new ATOM 0 HA THR A 14 -9.485 -11.858 -0.073 1.00 1.06 H new ATOM 0 HB THR A 14 -10.836 -11.211 2.036 1.00 1.44 H new ATOM 0 HG1 THR A 14 -10.646 -8.927 2.557 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.828 -10.360 3.190 1.00 1.86 H new ATOM 0 HG22 THR A 14 -8.432 -11.698 2.085 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.071 -10.019 1.616 1.00 1.86 H new ATOM 230 N LEU A 15 -12.330 -10.273 -0.656 1.00 0.64 N ATOM 231 CA LEU A 15 -13.699 -10.435 -1.097 1.00 0.66 C ATOM 232 C LEU A 15 -14.059 -9.357 -2.110 1.00 0.49 C ATOM 233 O LEU A 15 -14.087 -8.174 -1.778 1.00 0.55 O ATOM 234 CB LEU A 15 -14.618 -10.337 0.111 1.00 0.92 C ATOM 235 CG LEU A 15 -16.105 -10.395 -0.211 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.688 -11.781 0.021 1.00 1.80 C ATOM 237 CD2 LEU A 15 -16.812 -9.350 0.610 1.00 1.35 C ATOM 0 H LEU A 15 -12.050 -9.302 -0.515 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.815 -11.408 -1.574 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -14.378 -11.147 0.799 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.410 -9.403 0.633 1.00 0.92 H new ATOM 0 HG LEU A 15 -16.249 -10.187 -1.271 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.751 -11.774 -0.222 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.175 -12.503 -0.615 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.556 -12.061 1.066 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -17.880 -9.377 0.392 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -16.653 -9.551 1.669 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -16.416 -8.365 0.364 1.00 1.35 H new ATOM 249 N LYS A 16 -14.294 -9.766 -3.347 1.00 0.42 N ATOM 250 CA LYS A 16 -14.671 -8.830 -4.397 1.00 0.37 C ATOM 251 C LYS A 16 -16.119 -9.078 -4.811 1.00 0.43 C ATOM 252 O LYS A 16 -16.490 -10.199 -5.160 1.00 0.58 O ATOM 253 CB LYS A 16 -13.749 -8.951 -5.621 1.00 0.45 C ATOM 254 CG LYS A 16 -12.262 -8.771 -5.324 1.00 0.43 C ATOM 255 CD LYS A 16 -11.594 -10.077 -4.953 1.00 1.03 C ATOM 256 CE LYS A 16 -11.927 -11.197 -5.930 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.306 -12.485 -5.523 1.00 2.49 N ATOM 0 H LYS A 16 -14.231 -10.738 -3.649 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.568 -7.820 -4.001 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.898 -9.931 -6.075 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.050 -8.208 -6.360 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.767 -8.346 -6.197 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -12.139 -8.057 -4.509 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.514 -9.934 -4.923 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.905 -10.369 -3.950 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -13.009 -11.318 -5.990 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -11.581 -10.925 -6.927 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.555 -13.223 -6.212 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.272 -12.377 -5.490 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -11.656 -12.757 -4.582 1.00 2.49 H new ATOM 271 N GLY A 17 -16.933 -8.035 -4.765 1.00 0.33 N ATOM 272 CA GLY A 17 -18.338 -8.181 -5.093 1.00 0.39 C ATOM 273 C GLY A 17 -19.096 -6.880 -4.942 1.00 0.26 C ATOM 274 O GLY A 17 -18.491 -5.826 -4.735 1.00 0.23 O ATOM 0 H GLY A 17 -16.648 -7.090 -4.507 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.435 -8.540 -6.118 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.784 -8.937 -4.447 1.00 0.39 H new ATOM 278 N GLU A 18 -20.420 -6.959 -5.013 1.00 0.28 N ATOM 279 CA GLU A 18 -21.275 -5.785 -4.883 1.00 0.23 C ATOM 280 C GLU A 18 -22.482 -6.097 -4.012 1.00 0.29 C ATOM 281 O GLU A 18 -22.773 -7.259 -3.733 1.00 0.49 O ATOM 282 CB GLU A 18 -21.776 -5.314 -6.253 1.00 0.46 C ATOM 283 CG GLU A 18 -20.686 -4.855 -7.205 1.00 0.70 C ATOM 284 CD GLU A 18 -21.239 -4.463 -8.562 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.822 -3.363 -8.685 1.00 1.69 O ATOM 286 OE2 GLU A 18 -21.096 -5.260 -9.515 1.00 1.69 O ATOM 0 H GLU A 18 -20.928 -7.831 -5.161 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.677 -4.998 -4.424 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.329 -6.128 -6.722 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.479 -4.494 -6.105 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.160 -4.005 -6.770 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.955 -5.653 -7.329 1.00 0.70 H new ATOM 293 N THR A 19 -23.194 -5.055 -3.612 1.00 0.22 N ATOM 294 CA THR A 19 -24.406 -5.217 -2.823 1.00 0.32 C ATOM 295 C THR A 19 -25.271 -3.962 -2.927 1.00 0.29 C ATOM 296 O THR A 19 -24.808 -2.920 -3.396 1.00 0.31 O ATOM 297 CB THR A 19 -24.087 -5.523 -1.340 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.285 -5.892 -0.641 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.460 -4.311 -0.659 1.00 0.45 C ATOM 0 H THR A 19 -22.953 -4.086 -3.821 1.00 0.22 H new ATOM 0 HA THR A 19 -24.954 -6.069 -3.226 1.00 0.32 H new ATOM 0 HB THR A 19 -23.378 -6.351 -1.312 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.071 -6.085 0.296 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.245 -4.550 0.382 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.534 -4.045 -1.169 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.153 -3.470 -0.703 1.00 0.45 H new ATOM 307 N THR A 20 -26.522 -4.067 -2.502 1.00 0.27 N ATOM 308 CA THR A 20 -27.461 -2.961 -2.586 1.00 0.24 C ATOM 309 C THR A 20 -28.282 -2.832 -1.304 1.00 0.25 C ATOM 310 O THR A 20 -28.380 -3.778 -0.523 1.00 0.31 O ATOM 311 CB THR A 20 -28.424 -3.167 -3.771 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.919 -4.517 -3.750 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.748 -2.892 -5.114 1.00 0.32 C ATOM 0 H THR A 20 -26.911 -4.916 -2.092 1.00 0.27 H new ATOM 0 HA THR A 20 -26.880 -2.050 -2.730 1.00 0.24 H new ATOM 0 HB THR A 20 -29.245 -2.458 -3.663 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.534 -4.652 -4.501 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.464 -3.050 -5.921 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.394 -1.861 -5.139 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.903 -3.569 -5.241 1.00 0.32 H new ATOM 321 N THR A 21 -28.858 -1.656 -1.090 1.00 0.23 N ATOM 322 CA THR A 21 -29.718 -1.423 0.064 1.00 0.26 C ATOM 323 C THR A 21 -30.618 -0.216 -0.184 1.00 0.25 C ATOM 324 O THR A 21 -30.311 0.637 -1.027 1.00 0.26 O ATOM 325 CB THR A 21 -28.904 -1.196 1.372 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.773 -1.305 2.512 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.227 0.187 1.398 1.00 0.28 C ATOM 0 H THR A 21 -28.745 -0.847 -1.701 1.00 0.23 H new ATOM 0 HA THR A 21 -30.322 -2.321 0.196 1.00 0.26 H new ATOM 0 HB THR A 21 -28.127 -1.960 1.406 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.256 -1.163 3.332 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.670 0.302 2.328 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.544 0.274 0.553 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.987 0.965 1.331 1.00 0.28 H new ATOM 335 N GLU A 22 -31.748 -0.174 0.507 1.00 0.31 N ATOM 336 CA GLU A 22 -32.660 0.955 0.396 1.00 0.36 C ATOM 337 C GLU A 22 -32.310 1.987 1.472 1.00 0.36 C ATOM 338 O GLU A 22 -32.099 1.627 2.632 1.00 0.58 O ATOM 339 CB GLU A 22 -34.128 0.490 0.556 1.00 0.51 C ATOM 340 CG GLU A 22 -34.460 -0.063 1.936 1.00 1.16 C ATOM 341 CD GLU A 22 -35.930 -0.398 2.093 1.00 1.77 C ATOM 342 OE1 GLU A 22 -36.267 -1.596 2.155 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.758 0.537 2.125 1.00 2.24 O ATOM 0 H GLU A 22 -32.054 -0.906 1.148 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.556 1.405 -0.591 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.789 1.331 0.345 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.338 -0.276 -0.190 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.866 -0.959 2.117 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -34.175 0.667 2.694 1.00 1.16 H new ATOM 350 N ALA A 23 -32.140 3.241 1.082 1.00 0.26 N ATOM 351 CA ALA A 23 -31.812 4.281 2.050 1.00 0.28 C ATOM 352 C ALA A 23 -32.367 5.630 1.591 1.00 0.31 C ATOM 353 O ALA A 23 -32.589 5.833 0.397 1.00 0.38 O ATOM 354 CB ALA A 23 -30.298 4.362 2.241 1.00 0.32 C ATOM 0 H ALA A 23 -32.222 3.562 0.117 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.271 4.028 3.006 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.064 5.142 2.966 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.925 3.405 2.605 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.823 4.598 1.289 1.00 0.32 H new ATOM 360 N VAL A 24 -32.630 6.536 2.534 1.00 0.35 N ATOM 361 CA VAL A 24 -33.123 7.869 2.193 1.00 0.45 C ATOM 362 C VAL A 24 -32.033 8.935 2.365 1.00 0.49 C ATOM 363 O VAL A 24 -32.267 10.121 2.121 1.00 0.74 O ATOM 364 CB VAL A 24 -34.352 8.242 3.048 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.512 7.315 2.736 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.016 8.190 4.528 1.00 1.09 C ATOM 0 H VAL A 24 -32.510 6.372 3.534 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.416 7.840 1.144 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.644 9.263 2.801 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.372 7.590 3.347 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.773 7.401 1.681 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.225 6.287 2.956 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.898 8.457 5.111 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.697 7.182 4.793 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.212 8.894 4.744 1.00 1.09 H new ATOM 376 N ASP A 25 -30.830 8.497 2.728 1.00 0.39 N ATOM 377 CA ASP A 25 -29.701 9.400 2.939 1.00 0.45 C ATOM 378 C ASP A 25 -28.420 8.704 2.514 1.00 0.39 C ATOM 379 O ASP A 25 -28.351 7.473 2.510 1.00 0.35 O ATOM 380 CB ASP A 25 -29.567 9.822 4.411 1.00 0.54 C ATOM 381 CG ASP A 25 -30.672 10.740 4.894 1.00 1.25 C ATOM 382 OD1 ASP A 25 -30.559 11.967 4.703 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.683 10.231 5.422 1.00 2.13 O ATOM 0 H ASP A 25 -30.611 7.513 2.883 1.00 0.39 H new ATOM 0 HA ASP A 25 -29.877 10.296 2.343 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.553 8.928 5.034 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -28.608 10.321 4.549 1.00 0.54 H new ATOM 388 N ALA A 26 -27.404 9.487 2.183 1.00 0.44 N ATOM 389 CA ALA A 26 -26.116 8.942 1.787 1.00 0.46 C ATOM 390 C ALA A 26 -25.327 8.549 3.031 1.00 0.38 C ATOM 391 O ALA A 26 -24.738 7.474 3.092 1.00 0.37 O ATOM 392 CB ALA A 26 -25.343 9.958 0.950 1.00 0.59 C ATOM 0 H ALA A 26 -27.448 10.506 2.181 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.272 8.054 1.174 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.381 9.535 0.661 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -25.915 10.203 0.055 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.180 10.863 1.535 1.00 0.59 H new ATOM 398 N ALA A 27 -25.412 9.391 4.063 1.00 0.39 N ATOM 399 CA ALA A 27 -24.718 9.138 5.325 1.00 0.38 C ATOM 400 C ALA A 27 -25.239 7.870 5.994 1.00 0.31 C ATOM 401 O ALA A 27 -24.468 7.091 6.559 1.00 0.32 O ATOM 402 CB ALA A 27 -24.862 10.328 6.262 1.00 0.48 C ATOM 0 H ALA A 27 -25.955 10.254 4.048 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.661 8.994 5.103 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.339 10.121 7.196 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.432 11.214 5.794 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.918 10.503 6.468 1.00 0.48 H new ATOM 408 N THR A 28 -26.543 7.656 5.899 1.00 0.31 N ATOM 409 CA THR A 28 -27.170 6.478 6.486 1.00 0.30 C ATOM 410 C THR A 28 -26.731 5.212 5.753 1.00 0.24 C ATOM 411 O THR A 28 -26.590 4.151 6.357 1.00 0.28 O ATOM 412 CB THR A 28 -28.705 6.600 6.448 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.089 7.920 6.852 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.354 5.589 7.382 1.00 0.45 C ATOM 0 H THR A 28 -27.190 8.283 5.420 1.00 0.31 H new ATOM 0 HA THR A 28 -26.850 6.411 7.526 1.00 0.30 H new ATOM 0 HB THR A 28 -29.039 6.403 5.429 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.060 7.953 6.981 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.438 5.696 7.337 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.076 4.580 7.077 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.014 5.766 8.402 1.00 0.45 H new ATOM 422 N ALA A 29 -26.420 5.353 4.472 1.00 0.21 N ATOM 423 CA ALA A 29 -25.988 4.219 3.679 1.00 0.22 C ATOM 424 C ALA A 29 -24.559 3.850 4.044 1.00 0.21 C ATOM 425 O ALA A 29 -24.209 2.670 4.118 1.00 0.25 O ATOM 426 CB ALA A 29 -26.095 4.533 2.196 1.00 0.28 C ATOM 0 H ALA A 29 -26.459 6.237 3.965 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.638 3.371 3.894 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.766 3.670 1.617 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.131 4.764 1.947 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.465 5.390 1.959 1.00 0.28 H new ATOM 432 N GLU A 30 -23.750 4.875 4.316 1.00 0.19 N ATOM 433 CA GLU A 30 -22.361 4.674 4.697 1.00 0.20 C ATOM 434 C GLU A 30 -22.289 3.864 5.986 1.00 0.20 C ATOM 435 O GLU A 30 -21.750 2.762 6.001 1.00 0.23 O ATOM 436 CB GLU A 30 -21.651 6.016 4.899 1.00 0.24 C ATOM 437 CG GLU A 30 -20.142 5.927 4.744 1.00 0.35 C ATOM 438 CD GLU A 30 -19.416 7.166 5.218 1.00 0.50 C ATOM 439 OE1 GLU A 30 -18.793 7.112 6.302 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.444 8.193 4.510 1.00 1.29 O ATOM 0 H GLU A 30 -24.038 5.853 4.278 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.862 4.132 3.894 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.041 6.737 4.181 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -21.885 6.397 5.893 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.777 5.065 5.302 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.901 5.753 3.695 1.00 0.35 H new ATOM 447 N LYS A 31 -22.921 4.386 7.039 1.00 0.20 N ATOM 448 CA LYS A 31 -22.905 3.761 8.367 1.00 0.24 C ATOM 449 C LYS A 31 -23.300 2.279 8.332 1.00 0.22 C ATOM 450 O LYS A 31 -22.636 1.444 8.949 1.00 0.26 O ATOM 451 CB LYS A 31 -23.829 4.521 9.330 1.00 0.29 C ATOM 452 CG LYS A 31 -23.478 5.994 9.477 1.00 0.39 C ATOM 453 CD LYS A 31 -22.036 6.198 9.926 1.00 1.10 C ATOM 454 CE LYS A 31 -21.781 5.672 11.335 1.00 1.86 C ATOM 455 NZ LYS A 31 -22.626 6.355 12.350 1.00 2.42 N ATOM 0 H LYS A 31 -23.458 5.252 6.998 1.00 0.20 H new ATOM 0 HA LYS A 31 -21.876 3.815 8.722 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -24.857 4.435 8.978 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.787 4.047 10.310 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.636 6.501 8.525 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.151 6.456 10.199 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.367 5.695 9.228 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.795 7.260 9.889 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.978 4.600 11.362 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -20.730 5.809 11.588 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -22.283 6.119 13.303 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -22.575 7.384 12.209 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -23.612 6.040 12.249 1.00 2.42 H new ATOM 469 N VAL A 32 -24.345 1.949 7.575 1.00 0.20 N ATOM 470 CA VAL A 32 -24.829 0.572 7.505 1.00 0.22 C ATOM 471 C VAL A 32 -23.854 -0.315 6.737 1.00 0.18 C ATOM 472 O VAL A 32 -23.442 -1.368 7.226 1.00 0.20 O ATOM 473 CB VAL A 32 -26.222 0.485 6.836 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.708 -0.959 6.770 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.227 1.356 7.578 1.00 0.29 C ATOM 0 H VAL A 32 -24.870 2.612 7.005 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.910 0.219 8.533 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.130 0.856 5.815 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.689 -0.991 6.296 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.004 -1.554 6.188 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.779 -1.365 7.779 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.200 1.282 7.093 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.309 1.017 8.611 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.892 2.393 7.562 1.00 0.29 H new ATOM 485 N PHE A 33 -23.452 0.139 5.556 1.00 0.16 N ATOM 486 CA PHE A 33 -22.542 -0.627 4.711 1.00 0.15 C ATOM 487 C PHE A 33 -21.156 -0.751 5.333 1.00 0.15 C ATOM 488 O PHE A 33 -20.393 -1.645 4.977 1.00 0.17 O ATOM 489 CB PHE A 33 -22.421 -0.012 3.312 1.00 0.17 C ATOM 490 CG PHE A 33 -23.460 -0.480 2.327 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.813 0.305 1.240 1.00 1.09 C ATOM 492 CD2 PHE A 33 -24.100 -1.699 2.507 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.781 -0.122 0.348 1.00 1.11 C ATOM 494 CE2 PHE A 33 -25.065 -2.129 1.617 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.348 -1.352 0.480 1.00 0.29 C ATOM 0 H PHE A 33 -23.741 1.034 5.161 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.972 -1.625 4.623 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.486 1.073 3.400 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.433 -0.241 2.913 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.328 1.258 1.088 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.840 -2.318 3.353 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.089 0.526 -0.459 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.597 -3.053 1.793 1.00 1.02 H new ATOM 0 HZ PHE A 33 -26.011 -1.729 -0.284 1.00 0.29 H new ATOM 505 N LYS A 34 -20.830 0.129 6.268 1.00 0.16 N ATOM 506 CA LYS A 34 -19.538 0.077 6.917 1.00 0.20 C ATOM 507 C LYS A 34 -19.484 -1.099 7.881 1.00 0.20 C ATOM 508 O LYS A 34 -18.491 -1.817 7.937 1.00 0.22 O ATOM 509 CB LYS A 34 -19.247 1.401 7.626 1.00 0.29 C ATOM 510 CG LYS A 34 -18.933 2.535 6.662 1.00 0.43 C ATOM 511 CD LYS A 34 -18.169 3.659 7.338 1.00 0.38 C ATOM 512 CE LYS A 34 -16.765 3.221 7.702 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.916 4.371 8.114 1.00 1.09 N ATOM 0 H LYS A 34 -21.440 0.881 6.589 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.764 -0.072 6.165 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.108 1.677 8.235 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.406 1.266 8.306 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.348 2.150 5.827 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.862 2.926 6.247 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.124 4.523 6.675 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.699 3.975 8.236 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.810 2.494 8.513 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.308 2.719 6.849 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -14.963 4.030 8.355 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -15.852 5.053 7.332 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.338 4.834 8.944 1.00 1.09 H new ATOM 527 N GLN A 35 -20.569 -1.308 8.618 1.00 0.21 N ATOM 528 CA GLN A 35 -20.684 -2.473 9.489 1.00 0.24 C ATOM 529 C GLN A 35 -20.721 -3.734 8.627 1.00 0.21 C ATOM 530 O GLN A 35 -20.173 -4.777 8.991 1.00 0.24 O ATOM 531 CB GLN A 35 -21.947 -2.373 10.361 1.00 0.32 C ATOM 532 CG GLN A 35 -22.107 -3.518 11.361 1.00 0.43 C ATOM 533 CD GLN A 35 -21.045 -3.537 12.450 1.00 1.28 C ATOM 534 OE1 GLN A 35 -19.905 -3.127 12.243 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.419 -4.030 13.621 1.00 1.82 N ATOM 0 H GLN A 35 -21.379 -0.689 8.630 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.823 -2.516 10.156 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.926 -1.429 10.906 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.822 -2.347 9.712 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.090 -3.446 11.827 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.078 -4.465 10.822 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.375 -4.360 13.753 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.751 -4.079 14.390 1.00 1.82 H new ATOM 544 N TYR A 36 -21.305 -3.582 7.443 1.00 0.19 N ATOM 545 CA TYR A 36 -21.394 -4.650 6.462 1.00 0.18 C ATOM 546 C TYR A 36 -20.001 -5.037 5.967 1.00 0.17 C ATOM 547 O TYR A 36 -19.633 -6.214 5.949 1.00 0.19 O ATOM 548 CB TYR A 36 -22.269 -4.173 5.298 1.00 0.19 C ATOM 549 CG TYR A 36 -22.082 -4.943 4.017 1.00 0.21 C ATOM 550 CD1 TYR A 36 -21.500 -4.326 2.922 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.476 -6.270 3.897 1.00 1.11 C ATOM 552 CE1 TYR A 36 -21.310 -5.002 1.740 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.291 -6.960 2.714 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.706 -6.320 1.638 1.00 0.34 C ATOM 555 OH TYR A 36 -21.514 -7.002 0.459 1.00 0.42 O ATOM 0 H TYR A 36 -21.732 -2.707 7.138 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.842 -5.534 6.917 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.315 -4.238 5.597 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.057 -3.121 5.108 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -21.190 -3.294 2.998 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -22.933 -6.769 4.739 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.854 -4.505 0.897 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -22.601 -7.991 2.631 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.847 -7.919 0.554 1.00 0.42 H new ATOM 565 N ALA A 37 -19.233 -4.031 5.568 1.00 0.15 N ATOM 566 CA ALA A 37 -17.874 -4.238 5.098 1.00 0.16 C ATOM 567 C ALA A 37 -16.985 -4.720 6.244 1.00 0.18 C ATOM 568 O ALA A 37 -16.137 -5.597 6.066 1.00 0.22 O ATOM 569 CB ALA A 37 -17.333 -2.949 4.499 1.00 0.17 C ATOM 0 H ALA A 37 -19.534 -3.056 5.562 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.876 -5.006 4.325 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.314 -3.110 4.148 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.961 -2.645 3.661 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.336 -2.166 5.257 1.00 0.17 H new ATOM 575 N ASN A 38 -17.245 -4.180 7.433 1.00 0.20 N ATOM 576 CA ASN A 38 -16.489 -4.527 8.645 1.00 0.26 C ATOM 577 C ASN A 38 -16.594 -6.020 8.955 1.00 0.28 C ATOM 578 O ASN A 38 -15.596 -6.665 9.281 1.00 0.36 O ATOM 579 CB ASN A 38 -16.996 -3.714 9.853 1.00 0.31 C ATOM 580 CG ASN A 38 -16.216 -4.009 11.129 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.178 -3.405 11.386 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.715 -4.934 11.942 1.00 1.39 N ATOM 0 H ASN A 38 -17.982 -3.492 7.588 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.443 -4.282 8.459 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.924 -2.650 9.626 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.051 -3.935 10.017 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.233 -5.162 12.812 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.580 -5.416 11.696 1.00 1.39 H new ATOM 589 N ASP A 39 -17.800 -6.567 8.817 1.00 0.30 N ATOM 590 CA ASP A 39 -18.044 -7.988 9.081 1.00 0.38 C ATOM 591 C ASP A 39 -17.205 -8.872 8.161 1.00 0.33 C ATOM 592 O ASP A 39 -16.820 -9.982 8.524 1.00 0.41 O ATOM 593 CB ASP A 39 -19.533 -8.323 8.917 1.00 0.53 C ATOM 594 CG ASP A 39 -19.833 -9.795 9.145 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.684 -10.266 10.292 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.213 -10.491 8.177 1.00 1.77 O ATOM 0 H ASP A 39 -18.627 -6.048 8.523 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.750 -8.188 10.111 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.115 -7.725 9.619 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.856 -8.042 7.915 1.00 0.53 H new ATOM 601 N ASN A 40 -16.846 -8.336 7.001 1.00 0.28 N ATOM 602 CA ASN A 40 -16.056 -9.086 6.032 1.00 0.34 C ATOM 603 C ASN A 40 -14.593 -8.646 6.053 1.00 0.32 C ATOM 604 O ASN A 40 -13.775 -9.163 5.294 1.00 0.46 O ATOM 605 CB ASN A 40 -16.635 -8.946 4.620 1.00 0.42 C ATOM 606 CG ASN A 40 -17.890 -9.781 4.427 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.810 -10.966 4.095 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.055 -9.173 4.611 1.00 0.78 N ATOM 0 H ASN A 40 -17.088 -7.389 6.709 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.101 -10.137 6.318 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.865 -7.898 4.426 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -15.884 -9.248 3.890 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -19.926 -9.688 4.478 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.080 -8.191 4.886 1.00 0.78 H new ATOM 615 N GLY A 41 -14.267 -7.707 6.940 1.00 0.25 N ATOM 616 CA GLY A 41 -12.895 -7.245 7.073 1.00 0.33 C ATOM 617 C GLY A 41 -12.446 -6.358 5.925 1.00 0.28 C ATOM 618 O GLY A 41 -11.262 -6.325 5.589 1.00 0.37 O ATOM 0 H GLY A 41 -14.931 -7.257 7.570 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.793 -6.696 8.009 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.233 -8.108 7.136 1.00 0.33 H new ATOM 622 N VAL A 42 -13.387 -5.643 5.321 1.00 0.23 N ATOM 623 CA VAL A 42 -13.077 -4.755 4.223 1.00 0.26 C ATOM 624 C VAL A 42 -13.212 -3.299 4.656 1.00 0.36 C ATOM 625 O VAL A 42 -14.289 -2.856 5.055 1.00 0.46 O ATOM 626 CB VAL A 42 -13.992 -5.039 3.010 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.695 -4.073 1.878 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.802 -6.472 2.543 1.00 0.29 C ATOM 0 H VAL A 42 -14.374 -5.666 5.579 1.00 0.23 H new ATOM 0 HA VAL A 42 -12.044 -4.936 3.925 1.00 0.26 H new ATOM 0 HB VAL A 42 -15.029 -4.899 3.315 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.350 -4.290 1.034 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.866 -3.051 2.217 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.656 -4.183 1.569 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.450 -6.665 1.688 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.763 -6.625 2.253 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.057 -7.155 3.353 1.00 0.29 H new ATOM 638 N ASP A 43 -12.100 -2.589 4.634 1.00 0.42 N ATOM 639 CA ASP A 43 -12.076 -1.175 5.008 1.00 0.55 C ATOM 640 C ASP A 43 -10.960 -0.466 4.243 1.00 0.47 C ATOM 641 O ASP A 43 -9.803 -0.898 4.290 1.00 0.68 O ATOM 642 CB ASP A 43 -11.864 -0.995 6.516 1.00 0.80 C ATOM 643 CG ASP A 43 -12.019 0.456 6.947 1.00 1.29 C ATOM 644 OD1 ASP A 43 -13.148 0.991 6.862 1.00 1.86 O ATOM 645 OD2 ASP A 43 -11.015 1.064 7.380 1.00 1.80 O ATOM 0 H ASP A 43 -11.192 -2.965 4.360 1.00 0.42 H new ATOM 0 HA ASP A 43 -13.041 -0.739 4.751 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.580 -1.612 7.058 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.869 -1.349 6.786 1.00 0.80 H new ATOM 650 N GLY A 44 -11.288 0.652 3.603 1.00 0.43 N ATOM 651 CA GLY A 44 -10.344 1.343 2.758 1.00 0.37 C ATOM 652 C GLY A 44 -10.880 2.691 2.345 1.00 0.34 C ATOM 653 O GLY A 44 -11.846 3.169 2.937 1.00 0.38 O ATOM 0 H GLY A 44 -12.206 1.093 3.659 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.400 1.469 3.288 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.135 0.743 1.872 1.00 0.37 H new ATOM 657 N GLU A 45 -10.227 3.331 1.383 1.00 0.34 N ATOM 658 CA GLU A 45 -10.669 4.638 0.892 1.00 0.35 C ATOM 659 C GLU A 45 -12.139 4.586 0.486 1.00 0.29 C ATOM 660 O GLU A 45 -12.550 3.733 -0.304 1.00 0.43 O ATOM 661 CB GLU A 45 -9.828 5.072 -0.311 1.00 0.45 C ATOM 662 CG GLU A 45 -8.391 5.427 0.030 1.00 1.27 C ATOM 663 CD GLU A 45 -8.286 6.717 0.816 1.00 2.01 C ATOM 664 OE1 GLU A 45 -8.092 7.781 0.191 1.00 2.79 O ATOM 665 OE2 GLU A 45 -8.406 6.678 2.055 1.00 2.57 O ATOM 0 H GLU A 45 -9.390 2.970 0.925 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.543 5.361 1.698 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.827 4.269 -1.048 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.302 5.934 -0.780 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -7.946 4.616 0.607 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -7.814 5.517 -0.890 1.00 1.27 H new ATOM 672 N TRP A 46 -12.902 5.529 1.006 1.00 0.22 N ATOM 673 CA TRP A 46 -14.342 5.580 0.756 1.00 0.24 C ATOM 674 C TRP A 46 -14.675 6.715 -0.197 1.00 0.28 C ATOM 675 O TRP A 46 -14.495 7.888 0.136 1.00 0.41 O ATOM 676 CB TRP A 46 -15.142 5.739 2.065 1.00 0.31 C ATOM 677 CG TRP A 46 -15.566 4.430 2.684 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.754 3.538 3.327 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.894 3.863 2.731 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.480 2.454 3.756 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.790 2.631 3.408 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.163 4.264 2.272 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.890 1.805 3.631 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.249 3.441 2.504 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.107 2.227 3.177 1.00 0.35 C ATOM 0 H TRP A 46 -12.553 6.275 1.607 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.629 4.632 0.300 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.537 6.291 2.784 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.029 6.340 1.867 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.692 3.667 3.476 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.103 1.647 4.254 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.286 5.200 1.747 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.784 0.862 4.146 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.226 3.743 2.158 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.977 1.609 3.342 1.00 0.35 H new ATOM 696 N THR A 47 -15.139 6.364 -1.384 1.00 0.29 N ATOM 697 CA THR A 47 -15.505 7.350 -2.383 1.00 0.35 C ATOM 698 C THR A 47 -16.947 7.143 -2.847 1.00 0.31 C ATOM 699 O THR A 47 -17.513 6.063 -2.659 1.00 0.28 O ATOM 700 CB THR A 47 -14.538 7.286 -3.584 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.245 5.916 -3.905 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.245 8.029 -3.282 1.00 0.63 C ATOM 0 H THR A 47 -15.271 5.397 -1.680 1.00 0.29 H new ATOM 0 HA THR A 47 -15.431 8.338 -1.929 1.00 0.35 H new ATOM 0 HB THR A 47 -15.021 7.765 -4.436 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.632 5.883 -4.669 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.581 7.969 -4.144 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.468 9.074 -3.068 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.759 7.577 -2.417 1.00 0.63 H new ATOM 710 N TYR A 48 -17.555 8.184 -3.399 1.00 0.38 N ATOM 711 CA TYR A 48 -18.933 8.106 -3.862 1.00 0.37 C ATOM 712 C TYR A 48 -19.098 8.836 -5.191 1.00 0.42 C ATOM 713 O TYR A 48 -18.309 9.720 -5.522 1.00 0.51 O ATOM 714 CB TYR A 48 -19.869 8.686 -2.788 1.00 0.41 C ATOM 715 CG TYR A 48 -21.311 8.871 -3.216 1.00 0.44 C ATOM 716 CD1 TYR A 48 -22.135 7.773 -3.448 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.853 10.142 -3.392 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.449 7.935 -3.841 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.163 10.309 -3.786 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.959 9.219 -3.995 1.00 0.61 C ATOM 721 OH TYR A 48 -25.270 9.372 -4.390 1.00 0.70 O ATOM 0 H TYR A 48 -17.115 9.094 -3.537 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.197 7.062 -4.028 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.847 8.030 -1.918 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.475 9.651 -2.469 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.739 6.776 -3.318 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.236 11.011 -3.217 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -24.073 7.074 -4.027 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.561 11.303 -3.930 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.483 10.326 -4.453 1.00 0.70 H new ATOM 731 N ASP A 49 -20.076 8.404 -5.979 1.00 0.42 N ATOM 732 CA ASP A 49 -20.352 9.034 -7.272 1.00 0.51 C ATOM 733 C ASP A 49 -21.861 9.273 -7.398 1.00 0.53 C ATOM 734 O ASP A 49 -22.634 8.311 -7.433 1.00 0.55 O ATOM 735 CB ASP A 49 -19.853 8.152 -8.431 1.00 0.57 C ATOM 736 CG ASP A 49 -19.494 8.958 -9.661 1.00 1.22 C ATOM 737 OD1 ASP A 49 -20.405 9.248 -10.466 1.00 2.07 O ATOM 738 OD2 ASP A 49 -18.312 9.313 -9.823 1.00 1.52 O ATOM 0 H ASP A 49 -20.691 7.623 -5.750 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.822 9.985 -7.326 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.980 7.587 -8.103 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.624 7.426 -8.689 1.00 0.57 H new ATOM 743 N ASP A 50 -22.283 10.539 -7.454 1.00 0.68 N ATOM 744 CA ASP A 50 -23.713 10.887 -7.485 1.00 0.76 C ATOM 745 C ASP A 50 -24.401 10.303 -8.712 1.00 0.73 C ATOM 746 O ASP A 50 -25.536 9.826 -8.638 1.00 0.84 O ATOM 747 CB ASP A 50 -23.885 12.415 -7.495 1.00 1.00 C ATOM 748 CG ASP A 50 -23.362 13.090 -6.239 1.00 1.56 C ATOM 749 OD1 ASP A 50 -24.185 13.520 -5.402 1.00 2.28 O ATOM 750 OD2 ASP A 50 -22.128 13.208 -6.095 1.00 2.15 O ATOM 0 H ASP A 50 -21.657 11.344 -7.479 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.174 10.465 -6.592 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.367 12.826 -8.362 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -24.942 12.653 -7.613 1.00 1.00 H new ATOM 755 N ALA A 51 -23.680 10.289 -9.821 1.00 0.70 N ATOM 756 CA ALA A 51 -24.205 9.799 -11.091 1.00 0.78 C ATOM 757 C ALA A 51 -24.613 8.329 -11.026 1.00 0.75 C ATOM 758 O ALA A 51 -25.462 7.883 -11.793 1.00 0.91 O ATOM 759 CB ALA A 51 -23.175 10.008 -12.191 1.00 0.91 C ATOM 0 H ALA A 51 -22.715 10.616 -9.869 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.105 10.372 -11.313 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -23.573 9.640 -13.137 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -22.949 11.071 -12.281 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.264 9.463 -11.944 1.00 0.91 H new ATOM 765 N THR A 52 -24.067 7.587 -10.069 1.00 0.63 N ATOM 766 CA THR A 52 -24.368 6.148 -9.999 1.00 0.65 C ATOM 767 C THR A 52 -24.802 5.668 -8.594 1.00 0.55 C ATOM 768 O THR A 52 -25.114 4.490 -8.424 1.00 0.62 O ATOM 769 CB THR A 52 -23.193 5.274 -10.537 1.00 0.74 C ATOM 770 OG1 THR A 52 -23.559 3.887 -10.587 1.00 1.06 O ATOM 771 CG2 THR A 52 -21.958 5.432 -9.682 1.00 1.19 C ATOM 0 H THR A 52 -23.433 7.936 -9.350 1.00 0.63 H new ATOM 0 HA THR A 52 -25.228 6.012 -10.654 1.00 0.65 H new ATOM 0 HB THR A 52 -22.974 5.621 -11.547 1.00 0.74 H new ATOM 0 HG1 THR A 52 -23.236 3.434 -9.780 1.00 1.06 H new ATOM 0 HG21 THR A 52 -21.157 4.811 -10.082 1.00 1.19 H new ATOM 0 HG22 THR A 52 -21.644 6.476 -9.685 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.181 5.124 -8.661 1.00 1.19 H new ATOM 779 N LYS A 53 -24.940 6.587 -7.621 1.00 0.47 N ATOM 780 CA LYS A 53 -25.305 6.215 -6.228 1.00 0.46 C ATOM 781 C LYS A 53 -24.510 5.005 -5.749 1.00 0.39 C ATOM 782 O LYS A 53 -24.996 4.192 -4.962 1.00 0.49 O ATOM 783 CB LYS A 53 -26.808 5.920 -6.096 1.00 0.59 C ATOM 784 CG LYS A 53 -27.666 7.146 -5.858 1.00 0.81 C ATOM 785 CD LYS A 53 -27.639 8.084 -7.048 1.00 0.87 C ATOM 786 CE LYS A 53 -28.074 7.397 -8.337 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.147 8.349 -9.481 1.00 2.08 N ATOM 0 H LYS A 53 -24.807 7.588 -7.765 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.059 7.073 -5.602 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.150 5.423 -7.004 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.958 5.221 -5.273 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.693 6.839 -5.659 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.313 7.672 -4.971 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -28.294 8.933 -6.853 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -26.631 8.480 -7.172 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -27.373 6.597 -8.576 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -29.049 6.933 -8.189 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.109 7.820 -10.376 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -29.038 8.883 -9.432 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -27.345 9.009 -9.435 1.00 2.08 H new ATOM 801 N THR A 54 -23.271 4.921 -6.186 1.00 0.34 N ATOM 802 CA THR A 54 -22.433 3.788 -5.869 1.00 0.31 C ATOM 803 C THR A 54 -21.288 4.197 -4.951 1.00 0.28 C ATOM 804 O THR A 54 -20.507 5.092 -5.286 1.00 0.35 O ATOM 805 CB THR A 54 -21.862 3.167 -7.157 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.935 2.932 -8.080 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.148 1.851 -6.852 1.00 0.41 C ATOM 0 H THR A 54 -22.821 5.630 -6.765 1.00 0.34 H new ATOM 0 HA THR A 54 -23.049 3.050 -5.354 1.00 0.31 H new ATOM 0 HB THR A 54 -21.139 3.857 -7.593 1.00 0.38 H new ATOM 0 HG1 THR A 54 -23.663 3.563 -7.903 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.752 1.429 -7.776 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.329 2.034 -6.157 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.853 1.150 -6.406 1.00 0.41 H new ATOM 815 N TYR A 55 -21.265 3.631 -3.752 1.00 0.21 N ATOM 816 CA TYR A 55 -20.151 3.841 -2.839 1.00 0.21 C ATOM 817 C TYR A 55 -19.034 2.873 -3.179 1.00 0.21 C ATOM 818 O TYR A 55 -19.279 1.711 -3.512 1.00 0.24 O ATOM 819 CB TYR A 55 -20.553 3.687 -1.357 1.00 0.24 C ATOM 820 CG TYR A 55 -21.084 4.965 -0.744 1.00 0.30 C ATOM 821 CD1 TYR A 55 -20.203 5.927 -0.259 1.00 1.14 C ATOM 822 CD2 TYR A 55 -22.447 5.214 -0.644 1.00 1.06 C ATOM 823 CE1 TYR A 55 -20.665 7.098 0.308 1.00 1.19 C ATOM 824 CE2 TYR A 55 -22.917 6.386 -0.078 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.021 7.325 0.395 1.00 0.56 C ATOM 826 OH TYR A 55 -22.478 8.493 0.956 1.00 0.70 O ATOM 0 H TYR A 55 -22.002 3.025 -3.390 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.814 4.870 -2.966 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.312 2.909 -1.273 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.687 3.351 -0.786 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -19.139 5.754 -0.327 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -23.150 4.482 -1.013 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -19.967 7.832 0.681 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -23.980 6.566 -0.006 1.00 1.12 H new ATOM 0 HH TYR A 55 -21.825 9.207 0.802 1.00 0.70 H new ATOM 836 N THR A 56 -17.814 3.364 -3.162 1.00 0.24 N ATOM 837 CA THR A 56 -16.676 2.542 -3.487 1.00 0.29 C ATOM 838 C THR A 56 -15.684 2.465 -2.333 1.00 0.25 C ATOM 839 O THR A 56 -15.190 3.489 -1.853 1.00 0.28 O ATOM 840 CB THR A 56 -15.954 3.068 -4.753 1.00 0.38 C ATOM 841 OG1 THR A 56 -16.242 4.462 -4.938 1.00 0.96 O ATOM 842 CG2 THR A 56 -16.367 2.294 -6.003 1.00 0.74 C ATOM 0 H THR A 56 -17.588 4.330 -2.926 1.00 0.24 H new ATOM 0 HA THR A 56 -17.058 1.540 -3.680 1.00 0.29 H new ATOM 0 HB THR A 56 -14.884 2.925 -4.604 1.00 0.38 H new ATOM 0 HG1 THR A 56 -15.433 4.988 -4.769 1.00 0.96 H new ATOM 0 HG21 THR A 56 -15.839 2.693 -6.869 1.00 0.74 H new ATOM 0 HG22 THR A 56 -16.116 1.241 -5.878 1.00 0.74 H new ATOM 0 HG23 THR A 56 -17.442 2.395 -6.155 1.00 0.74 H new ATOM 850 N VAL A 57 -15.423 1.247 -1.880 1.00 0.24 N ATOM 851 CA VAL A 57 -14.421 1.011 -0.855 1.00 0.23 C ATOM 852 C VAL A 57 -13.318 0.187 -1.498 1.00 0.24 C ATOM 853 O VAL A 57 -13.587 -0.838 -2.129 1.00 0.30 O ATOM 854 CB VAL A 57 -14.979 0.312 0.431 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.476 -1.106 0.171 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.919 0.300 1.518 1.00 0.27 C ATOM 0 H VAL A 57 -15.895 0.405 -2.209 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.049 1.971 -0.497 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.841 0.894 0.757 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.850 -1.537 1.100 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.279 -1.081 -0.566 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.655 -1.716 -0.207 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.316 -0.188 2.408 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.043 -0.245 1.166 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.636 1.324 1.761 1.00 0.27 H new ATOM 866 N THR A 58 -12.122 0.740 -1.533 1.00 0.26 N ATOM 867 CA THR A 58 -11.033 0.091 -2.238 1.00 0.30 C ATOM 868 C THR A 58 -9.824 -0.138 -1.342 1.00 0.32 C ATOM 869 O THR A 58 -9.274 0.799 -0.755 1.00 0.36 O ATOM 870 CB THR A 58 -10.623 0.930 -3.460 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.807 1.424 -4.106 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.817 0.105 -4.458 1.00 0.52 C ATOM 0 H THR A 58 -11.880 1.626 -1.088 1.00 0.26 H new ATOM 0 HA THR A 58 -11.392 -0.885 -2.563 1.00 0.30 H new ATOM 0 HB THR A 58 -9.998 1.755 -3.116 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.554 1.961 -4.886 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.544 0.729 -5.309 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.913 -0.267 -3.976 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.417 -0.737 -4.803 1.00 0.52 H new ATOM 880 N GLU A 59 -9.468 -1.408 -1.204 1.00 0.35 N ATOM 881 CA GLU A 59 -8.279 -1.811 -0.452 1.00 0.42 C ATOM 882 C GLU A 59 -7.020 -1.465 -1.246 1.00 0.53 C ATOM 883 O GLU A 59 -7.060 -1.396 -2.480 1.00 0.75 O ATOM 884 CB GLU A 59 -8.290 -3.321 -0.132 1.00 0.44 C ATOM 885 CG GLU A 59 -9.274 -3.735 0.960 1.00 0.78 C ATOM 886 CD GLU A 59 -10.605 -3.025 0.874 1.00 1.79 C ATOM 887 OE1 GLU A 59 -10.846 -2.127 1.701 1.00 2.34 O ATOM 888 OE2 GLU A 59 -11.398 -3.354 -0.027 1.00 2.56 O ATOM 0 H GLU A 59 -9.989 -2.187 -1.606 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.284 -1.266 0.492 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.528 -3.870 -1.043 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.287 -3.622 0.169 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.440 -4.810 0.899 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.828 -3.536 1.934 1.00 0.78 H new ATOM 1067 N LEU A 75 -2.729 -6.871 13.261 1.00 21.47 N ATOM 1068 CA LEU A 75 -3.789 -5.918 13.523 1.00 21.98 C ATOM 1069 C LEU A 75 -4.464 -5.523 12.208 1.00 22.04 C ATOM 1070 O LEU A 75 -3.778 -5.344 11.200 1.00 21.90 O ATOM 1071 CB LEU A 75 -3.248 -4.663 14.232 1.00 22.62 C ATOM 1072 CG LEU A 75 -2.735 -4.853 15.666 1.00 22.85 C ATOM 1073 CD1 LEU A 75 -3.760 -5.593 16.514 1.00 22.94 C ATOM 1074 CD2 LEU A 75 -1.393 -5.575 15.691 1.00 22.46 C ATOM 0 HA LEU A 75 -4.518 -6.390 14.182 1.00 21.98 H new ATOM 0 HB2 LEU A 75 -2.436 -4.255 13.631 1.00 22.62 H new ATOM 0 HB3 LEU A 75 -4.039 -3.913 14.249 1.00 22.62 H new ATOM 0 HG LEU A 75 -2.584 -3.862 16.094 1.00 22.85 H new ATOM 0 HD11 LEU A 75 -3.374 -5.716 17.526 1.00 22.94 H new ATOM 0 HD12 LEU A 75 -4.687 -5.021 16.546 1.00 22.94 H new ATOM 0 HD13 LEU A 75 -3.954 -6.573 16.078 1.00 22.94 H new ATOM 0 HD21 LEU A 75 -1.062 -5.691 16.723 1.00 22.46 H new ATOM 0 HD22 LEU A 75 -1.500 -6.557 15.231 1.00 22.46 H new ATOM 0 HD23 LEU A 75 -0.656 -4.993 15.137 1.00 22.46 H new ATOM 1086 N PRO A 76 -5.810 -5.390 12.182 1.00 22.33 N ATOM 1087 CA PRO A 76 -6.533 -4.969 10.971 1.00 22.55 C ATOM 1088 C PRO A 76 -6.140 -3.545 10.583 1.00 23.16 C ATOM 1089 O PRO A 76 -5.602 -2.808 11.413 1.00 23.54 O ATOM 1090 CB PRO A 76 -8.025 -5.017 11.396 1.00 22.90 C ATOM 1091 CG PRO A 76 -8.042 -5.863 12.618 1.00 22.69 C ATOM 1092 CD PRO A 76 -6.732 -5.569 13.315 1.00 22.58 C ATOM 0 HA PRO A 76 -6.315 -5.599 10.109 1.00 22.55 H new ATOM 0 HB2 PRO A 76 -8.411 -4.018 11.600 1.00 22.90 H new ATOM 0 HB3 PRO A 76 -8.647 -5.444 10.610 1.00 22.90 H new ATOM 0 HG2 PRO A 76 -8.892 -5.619 13.255 1.00 22.69 H new ATOM 0 HG3 PRO A 76 -8.126 -6.920 12.365 1.00 22.69 H new ATOM 0 HD2 PRO A 76 -6.793 -4.675 13.936 1.00 22.58 H new ATOM 0 HD3 PRO A 76 -6.424 -6.388 13.965 1.00 22.58 H new ATOM 1100 N PRO A 77 -6.377 -3.123 9.331 1.00 23.33 N ATOM 1101 CA PRO A 77 -6.016 -1.774 8.894 1.00 24.01 C ATOM 1102 C PRO A 77 -6.741 -0.723 9.726 1.00 24.77 C ATOM 1103 O PRO A 77 -7.963 -0.763 9.880 1.00 25.03 O ATOM 1104 CB PRO A 77 -6.470 -1.729 7.433 1.00 24.14 C ATOM 1105 CG PRO A 77 -7.556 -2.731 7.379 1.00 23.57 C ATOM 1106 CD PRO A 77 -7.082 -3.858 8.265 1.00 23.01 C ATOM 0 HA PRO A 77 -4.953 -1.562 9.009 1.00 24.01 H new ATOM 0 HB2 PRO A 77 -6.825 -0.737 7.153 1.00 24.14 H new ATOM 0 HB3 PRO A 77 -5.657 -1.981 6.752 1.00 24.14 H new ATOM 0 HG2 PRO A 77 -8.497 -2.314 7.738 1.00 23.57 H new ATOM 0 HG3 PRO A 77 -7.727 -3.075 6.359 1.00 23.57 H new ATOM 0 HD2 PRO A 77 -7.911 -4.449 8.654 1.00 23.01 H new ATOM 0 HD3 PRO A 77 -6.422 -4.545 7.736 1.00 23.01 H new ATOM 1114 N GLY A 78 -5.977 0.166 10.319 1.00 25.21 N ATOM 1115 CA GLY A 78 -6.562 1.179 11.173 1.00 26.01 C ATOM 1116 C GLY A 78 -6.458 0.862 12.657 1.00 25.92 C ATOM 1117 O GLY A 78 -6.461 1.777 13.480 1.00 26.59 O ATOM 0 H GLY A 78 -4.962 0.210 10.229 1.00 25.21 H new ATOM 0 HA2 GLY A 78 -6.071 2.133 10.979 1.00 26.01 H new ATOM 0 HA3 GLY A 78 -7.613 1.301 10.909 1.00 26.01 H new ATOM 1121 N TRP A 79 -6.369 -0.418 13.016 1.00 25.19 N ATOM 1122 CA TRP A 79 -6.276 -0.797 14.434 1.00 25.16 C ATOM 1123 C TRP A 79 -4.816 -0.918 14.896 1.00 24.97 C ATOM 1124 O TRP A 79 -3.952 -1.365 14.138 1.00 24.43 O ATOM 1125 CB TRP A 79 -6.994 -2.133 14.698 1.00 24.58 C ATOM 1126 CG TRP A 79 -8.489 -2.052 14.585 1.00 24.92 C ATOM 1127 CD1 TRP A 79 -9.232 -2.131 13.442 1.00 24.92 C ATOM 1128 CD2 TRP A 79 -9.426 -1.883 15.662 1.00 25.44 C ATOM 1129 NE1 TRP A 79 -10.568 -2.019 13.738 1.00 25.41 N ATOM 1130 CE2 TRP A 79 -10.715 -1.865 15.092 1.00 25.73 C ATOM 1131 CE3 TRP A 79 -9.308 -1.746 17.051 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 -11.868 -1.715 15.857 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 -10.454 -1.595 17.809 1.00 26.34 C ATOM 1134 CH2 TRP A 79 -11.717 -1.582 17.212 1.00 26.61 C ATOM 0 H TRP A 79 -6.359 -1.201 12.362 1.00 25.19 H new ATOM 0 HA TRP A 79 -6.761 -0.003 15.001 1.00 25.16 H new ATOM 0 HB2 TRP A 79 -6.626 -2.878 13.993 1.00 24.58 H new ATOM 0 HB3 TRP A 79 -6.733 -2.483 15.697 1.00 24.58 H new ATOM 0 HD1 TRP A 79 -8.827 -2.262 12.449 1.00 24.92 H new ATOM 0 HE1 TRP A 79 -11.329 -2.046 13.059 1.00 25.41 H new ATOM 0 HE3 TRP A 79 -8.336 -1.758 17.523 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 -12.846 -1.704 15.399 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 -10.372 -1.485 18.880 1.00 26.34 H new ATOM 0 HH2 TRP A 79 -12.593 -1.465 17.832 1.00 26.61 H new ATOM 1145 N GLU A 80 -4.537 -0.486 16.126 1.00 25.51 N ATOM 1146 CA GLU A 80 -3.224 -0.662 16.732 1.00 25.50 C ATOM 1147 C GLU A 80 -3.379 -1.290 18.114 1.00 25.52 C ATOM 1148 O GLU A 80 -4.384 -1.066 18.797 1.00 25.91 O ATOM 1149 CB GLU A 80 -2.469 0.665 16.847 1.00 26.28 C ATOM 1150 CG GLU A 80 -1.760 1.091 15.572 1.00 26.33 C ATOM 1151 CD GLU A 80 -0.758 2.201 15.818 1.00 26.69 C ATOM 1152 OE1 GLU A 80 0.364 1.902 16.282 1.00 26.95 O ATOM 1153 OE2 GLU A 80 -1.084 3.374 15.552 1.00 26.80 O ATOM 0 H GLU A 80 -5.211 -0.008 16.724 1.00 25.51 H new ATOM 0 HA GLU A 80 -2.642 -1.320 16.087 1.00 25.50 H new ATOM 0 HB2 GLU A 80 -3.172 1.446 17.137 1.00 26.28 H new ATOM 0 HB3 GLU A 80 -1.734 0.584 17.648 1.00 26.28 H new ATOM 0 HG2 GLU A 80 -1.249 0.232 15.138 1.00 26.33 H new ATOM 0 HG3 GLU A 80 -2.498 1.425 14.842 1.00 26.33 H new ATOM 1160 N MET A 81 -2.390 -2.074 18.522 1.00 25.18 N ATOM 1161 CA MET A 81 -2.422 -2.734 19.819 1.00 25.27 C ATOM 1162 C MET A 81 -1.181 -2.343 20.622 1.00 25.77 C ATOM 1163 O MET A 81 -0.064 -2.395 20.100 1.00 25.60 O ATOM 1164 CB MET A 81 -2.490 -4.253 19.625 1.00 24.50 C ATOM 1165 CG MET A 81 -2.883 -5.022 20.875 1.00 24.68 C ATOM 1166 SD MET A 81 -1.593 -5.056 22.128 1.00 24.52 S ATOM 1167 CE MET A 81 -2.454 -5.900 23.439 1.00 24.27 C ATOM 0 H MET A 81 -1.554 -2.268 17.971 1.00 25.18 H new ATOM 0 HA MET A 81 -3.307 -2.418 20.371 1.00 25.27 H new ATOM 0 HB2 MET A 81 -3.207 -4.476 18.834 1.00 24.50 H new ATOM 0 HB3 MET A 81 -1.518 -4.609 19.283 1.00 24.50 H new ATOM 0 HG2 MET A 81 -3.781 -4.574 21.301 1.00 24.68 H new ATOM 0 HG3 MET A 81 -3.137 -6.045 20.598 1.00 24.68 H new ATOM 0 HE1 MET A 81 -2.160 -5.476 24.399 1.00 24.27 H new ATOM 0 HE2 MET A 81 -3.529 -5.781 23.304 1.00 24.27 H new ATOM 0 HE3 MET A 81 -2.200 -6.960 23.418 1.00 24.27 H new ATOM 1177 N LYS A 82 -1.375 -1.939 21.879 1.00 26.46 N ATOM 1178 CA LYS A 82 -0.266 -1.496 22.727 1.00 27.08 C ATOM 1179 C LYS A 82 -0.587 -1.796 24.200 1.00 27.55 C ATOM 1180 O LYS A 82 -1.753 -1.959 24.567 1.00 27.58 O ATOM 1181 CB LYS A 82 -0.005 0.015 22.533 1.00 27.79 C ATOM 1182 CG LYS A 82 0.292 0.431 21.100 1.00 27.45 C ATOM 1183 CD LYS A 82 0.347 1.944 20.972 1.00 28.23 C ATOM 1184 CE LYS A 82 0.297 2.393 19.518 1.00 28.14 C ATOM 1185 NZ LYS A 82 1.503 1.978 18.746 1.00 28.22 N ATOM 0 H LYS A 82 -2.288 -1.909 22.332 1.00 26.46 H new ATOM 0 HA LYS A 82 0.635 -2.038 22.440 1.00 27.08 H new ATOM 0 HB2 LYS A 82 -0.876 0.568 22.884 1.00 27.79 H new ATOM 0 HB3 LYS A 82 0.834 0.309 23.163 1.00 27.79 H new ATOM 0 HG2 LYS A 82 1.242 0.001 20.782 1.00 27.45 H new ATOM 0 HG3 LYS A 82 -0.476 0.034 20.436 1.00 27.45 H new ATOM 0 HD2 LYS A 82 -0.488 2.385 21.517 1.00 28.23 H new ATOM 0 HD3 LYS A 82 1.262 2.315 21.435 1.00 28.23 H new ATOM 0 HE2 LYS A 82 -0.593 1.978 19.044 1.00 28.14 H new ATOM 0 HE3 LYS A 82 0.202 3.478 19.480 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 1.352 2.172 17.736 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 2.330 2.511 19.081 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 1.669 0.960 18.882 1.00 28.22 H new ATOM 1199 N TYR A 83 0.449 -1.915 25.028 1.00 27.96 N ATOM 1200 CA TYR A 83 0.271 -2.175 26.461 1.00 28.50 C ATOM 1201 C TYR A 83 0.699 -0.960 27.279 1.00 29.50 C ATOM 1202 O TYR A 83 1.563 -0.195 26.850 1.00 29.77 O ATOM 1203 CB TYR A 83 1.119 -3.375 26.926 1.00 28.32 C ATOM 1204 CG TYR A 83 0.612 -4.734 26.503 1.00 27.47 C ATOM 1205 CD1 TYR A 83 0.991 -5.279 25.284 1.00 27.19 C ATOM 1206 CD2 TYR A 83 -0.270 -5.452 27.302 1.00 27.03 C ATOM 1207 CE1 TYR A 83 0.507 -6.501 24.869 1.00 26.48 C ATOM 1208 CE2 TYR A 83 -0.754 -6.679 26.897 1.00 26.32 C ATOM 1209 CZ TYR A 83 -0.274 -7.263 25.777 1.00 26.04 C ATOM 1210 OH TYR A 83 -0.848 -8.419 25.263 1.00 25.39 O ATOM 0 H TYR A 83 1.422 -1.836 24.734 1.00 27.96 H new ATOM 0 HA TYR A 83 -0.786 -2.391 26.615 1.00 28.50 H new ATOM 0 HB2 TYR A 83 2.133 -3.250 26.545 1.00 28.32 H new ATOM 0 HB3 TYR A 83 1.182 -3.353 28.014 1.00 28.32 H new ATOM 0 HD1 TYR A 83 1.677 -4.736 24.650 1.00 27.19 H new ATOM 0 HD2 TYR A 83 -0.581 -5.044 28.253 1.00 27.03 H new ATOM 0 HE1 TYR A 83 0.717 -6.870 23.876 1.00 26.48 H new ATOM 0 HE2 TYR A 83 -1.519 -7.174 27.477 1.00 26.32 H new ATOM 0 HH TYR A 83 -1.362 -8.869 25.965 1.00 25.39 H new ATOM 1220 N THR A 84 0.101 -0.785 28.457 1.00 30.09 N ATOM 1221 CA THR A 84 0.543 0.255 29.378 1.00 31.09 C ATOM 1222 C THR A 84 1.652 -0.343 30.251 1.00 31.47 C ATOM 1223 O THR A 84 1.796 -1.567 30.300 1.00 30.98 O ATOM 1224 CB THR A 84 -0.604 0.795 30.277 1.00 31.69 C ATOM 1225 OG1 THR A 84 -0.910 -0.141 31.320 1.00 31.75 O ATOM 1226 CG2 THR A 84 -1.864 1.063 29.464 1.00 31.35 C ATOM 0 H THR A 84 -0.683 -1.345 28.792 1.00 30.09 H new ATOM 0 HA THR A 84 0.900 1.105 28.797 1.00 31.09 H new ATOM 0 HB THR A 84 -0.260 1.732 30.715 1.00 31.69 H new ATOM 0 HG1 THR A 84 -1.489 0.287 31.984 1.00 31.75 H new ATOM 0 HG21 THR A 84 -2.648 1.440 30.121 1.00 31.35 H new ATOM 0 HG22 THR A 84 -1.649 1.804 28.694 1.00 31.35 H new ATOM 0 HG23 THR A 84 -2.198 0.138 28.995 1.00 31.35 H new ATOM 1234 N SER A 85 2.398 0.484 30.973 1.00 32.40 N ATOM 1235 CA SER A 85 3.509 -0.005 31.790 1.00 32.91 C ATOM 1236 C SER A 85 3.014 -0.686 33.076 1.00 33.07 C ATOM 1237 O SER A 85 3.784 -0.923 34.005 1.00 33.44 O ATOM 1238 CB SER A 85 4.441 1.163 32.126 1.00 33.91 C ATOM 1239 OG SER A 85 3.714 2.262 32.652 1.00 34.32 O ATOM 0 H SER A 85 2.257 1.493 31.012 1.00 32.40 H new ATOM 0 HA SER A 85 4.053 -0.757 31.218 1.00 32.91 H new ATOM 0 HB2 SER A 85 5.189 0.839 32.849 1.00 33.91 H new ATOM 0 HB3 SER A 85 4.978 1.474 31.229 1.00 33.91 H new ATOM 0 HG SER A 85 4.332 2.994 32.860 1.00 34.32 H new ATOM 1245 N GLU A 86 1.727 -1.005 33.112 1.00 32.82 N ATOM 1246 CA GLU A 86 1.109 -1.622 34.283 1.00 33.03 C ATOM 1247 C GLU A 86 0.495 -2.966 33.893 1.00 32.13 C ATOM 1248 O GLU A 86 -0.196 -3.606 34.687 1.00 32.23 O ATOM 1249 CB GLU A 86 0.031 -0.676 34.831 1.00 33.61 C ATOM 1250 CG GLU A 86 0.551 0.728 35.091 1.00 34.45 C ATOM 1251 CD GLU A 86 -0.547 1.713 35.414 1.00 34.93 C ATOM 1252 OE1 GLU A 86 -1.329 2.046 34.500 1.00 34.87 O ATOM 1253 OE2 GLU A 86 -0.637 2.148 36.580 1.00 35.43 O ATOM 0 H GLU A 86 1.084 -0.846 32.337 1.00 32.82 H new ATOM 0 HA GLU A 86 1.859 -1.797 35.054 1.00 33.03 H new ATOM 0 HB2 GLU A 86 -0.795 -0.626 34.122 1.00 33.61 H new ATOM 0 HB3 GLU A 86 -0.369 -1.087 35.758 1.00 33.61 H new ATOM 0 HG2 GLU A 86 1.261 0.699 35.918 1.00 34.45 H new ATOM 0 HG3 GLU A 86 1.097 1.076 34.214 1.00 34.45 H new ATOM 1260 N GLY A 87 0.709 -3.353 32.638 1.00 31.30 N ATOM 1261 CA GLY A 87 0.185 -4.609 32.142 1.00 30.42 C ATOM 1262 C GLY A 87 -1.264 -4.510 31.694 1.00 30.02 C ATOM 1263 O GLY A 87 -1.941 -5.525 31.527 1.00 29.44 O ATOM 0 H GLY A 87 1.240 -2.814 31.954 1.00 31.30 H new ATOM 0 HA2 GLY A 87 0.796 -4.947 31.305 1.00 30.42 H new ATOM 0 HA3 GLY A 87 0.268 -5.365 32.923 1.00 30.42 H new ATOM 1267 N VAL A 88 -1.751 -3.287 31.509 1.00 30.40 N ATOM 1268 CA VAL A 88 -3.129 -3.074 31.080 1.00 30.17 C ATOM 1269 C VAL A 88 -3.215 -3.067 29.553 1.00 29.38 C ATOM 1270 O VAL A 88 -2.342 -2.527 28.868 1.00 29.40 O ATOM 1271 CB VAL A 88 -3.711 -1.766 31.668 1.00 31.05 C ATOM 1272 CG1 VAL A 88 -5.152 -1.564 31.227 1.00 30.89 C ATOM 1273 CG2 VAL A 88 -3.627 -1.780 33.189 1.00 31.86 C ATOM 0 H VAL A 88 -1.214 -2.431 31.649 1.00 30.40 H new ATOM 0 HA VAL A 88 -3.730 -3.900 31.461 1.00 30.17 H new ATOM 0 HB VAL A 88 -3.116 -0.935 31.290 1.00 31.05 H new ATOM 0 HG11 VAL A 88 -5.537 -0.638 31.654 1.00 30.89 H new ATOM 0 HG12 VAL A 88 -5.195 -1.507 30.139 1.00 30.89 H new ATOM 0 HG13 VAL A 88 -5.759 -2.402 31.571 1.00 30.89 H new ATOM 0 HG21 VAL A 88 -4.041 -0.852 33.585 1.00 31.86 H new ATOM 0 HG22 VAL A 88 -4.195 -2.625 33.577 1.00 31.86 H new ATOM 0 HG23 VAL A 88 -2.585 -1.872 33.495 1.00 31.86 H new ATOM 1283 N ARG A 89 -4.249 -3.711 29.029 1.00 28.74 N ATOM 1284 CA ARG A 89 -4.425 -3.858 27.591 1.00 27.99 C ATOM 1285 C ARG A 89 -5.357 -2.776 27.040 1.00 28.23 C ATOM 1286 O ARG A 89 -6.536 -2.742 27.386 1.00 28.54 O ATOM 1287 CB ARG A 89 -5.016 -5.248 27.306 1.00 27.21 C ATOM 1288 CG ARG A 89 -4.900 -5.710 25.862 1.00 26.48 C ATOM 1289 CD ARG A 89 -5.572 -7.068 25.658 1.00 25.83 C ATOM 1290 NE ARG A 89 -4.924 -7.856 24.609 1.00 25.29 N ATOM 1291 CZ ARG A 89 -5.508 -8.856 23.939 1.00 24.70 C ATOM 1292 NH1 ARG A 89 -6.785 -9.163 24.136 1.00 24.55 N ATOM 1293 NH2 ARG A 89 -4.810 -9.557 23.063 1.00 24.34 N ATOM 0 H ARG A 89 -4.986 -4.144 29.586 1.00 28.74 H new ATOM 0 HA ARG A 89 -3.457 -3.751 27.101 1.00 27.99 H new ATOM 0 HB2 ARG A 89 -4.518 -5.976 27.946 1.00 27.21 H new ATOM 0 HB3 ARG A 89 -6.069 -5.243 27.587 1.00 27.21 H new ATOM 0 HG2 ARG A 89 -5.359 -4.972 25.204 1.00 26.48 H new ATOM 0 HG3 ARG A 89 -3.849 -5.776 25.582 1.00 26.48 H new ATOM 0 HD2 ARG A 89 -5.550 -7.626 26.594 1.00 25.83 H new ATOM 0 HD3 ARG A 89 -6.620 -6.917 25.401 1.00 25.83 H new ATOM 0 HE ARG A 89 -3.959 -7.627 24.372 1.00 25.29 H new ATOM 0 HH11 ARG A 89 -7.339 -8.633 24.808 1.00 24.55 H new ATOM 0 HH12 ARG A 89 -7.212 -9.929 23.615 1.00 24.55 H new ATOM 0 HH21 ARG A 89 -3.828 -9.335 22.899 1.00 24.34 H new ATOM 0 HH22 ARG A 89 -5.253 -10.320 22.551 1.00 24.34 H new ATOM 1307 N TYR A 90 -4.839 -1.890 26.191 1.00 28.18 N ATOM 1308 CA TYR A 90 -5.686 -0.864 25.581 1.00 28.46 C ATOM 1309 C TYR A 90 -5.523 -0.900 24.059 1.00 27.80 C ATOM 1310 O TYR A 90 -4.521 -1.416 23.557 1.00 27.31 O ATOM 1311 CB TYR A 90 -5.388 0.546 26.132 1.00 29.43 C ATOM 1312 CG TYR A 90 -4.109 1.194 25.643 1.00 29.57 C ATOM 1313 CD1 TYR A 90 -4.136 2.151 24.633 1.00 29.65 C ATOM 1314 CD2 TYR A 90 -2.881 0.878 26.209 1.00 29.70 C ATOM 1315 CE1 TYR A 90 -2.978 2.769 24.200 1.00 29.86 C ATOM 1316 CE2 TYR A 90 -1.719 1.491 25.781 1.00 29.91 C ATOM 1317 CZ TYR A 90 -1.771 2.433 24.777 1.00 30.05 C ATOM 1318 OH TYR A 90 -0.611 3.040 24.347 1.00 30.27 O ATOM 0 H TYR A 90 -3.858 -1.860 25.913 1.00 28.18 H new ATOM 0 HA TYR A 90 -6.721 -1.087 25.840 1.00 28.46 H new ATOM 0 HB2 TYR A 90 -6.223 1.198 25.876 1.00 29.43 H new ATOM 0 HB3 TYR A 90 -5.350 0.489 27.220 1.00 29.43 H new ATOM 0 HD1 TYR A 90 -5.079 2.416 24.179 1.00 29.65 H new ATOM 0 HD2 TYR A 90 -2.833 0.141 26.997 1.00 29.70 H new ATOM 0 HE1 TYR A 90 -3.018 3.510 23.415 1.00 29.86 H new ATOM 0 HE2 TYR A 90 -0.773 1.232 26.232 1.00 29.91 H new ATOM 0 HH TYR A 90 0.149 2.691 24.857 1.00 30.27 H new ATOM 1328 N PHE A 91 -6.506 -0.393 23.324 1.00 27.84 N ATOM 1329 CA PHE A 91 -6.446 -0.403 21.872 1.00 27.29 C ATOM 1330 C PHE A 91 -6.585 1.011 21.318 1.00 27.91 C ATOM 1331 O PHE A 91 -7.055 1.918 22.010 1.00 28.69 O ATOM 1332 CB PHE A 91 -7.528 -1.316 21.285 1.00 26.81 C ATOM 1333 CG PHE A 91 -7.224 -2.788 21.403 1.00 26.08 C ATOM 1334 CD1 PHE A 91 -6.859 -3.508 20.276 1.00 25.34 C ATOM 1335 CD2 PHE A 91 -7.294 -3.454 22.623 1.00 26.22 C ATOM 1336 CE1 PHE A 91 -6.572 -4.856 20.358 1.00 24.76 C ATOM 1337 CE2 PHE A 91 -7.008 -4.802 22.706 1.00 25.66 C ATOM 1338 CZ PHE A 91 -6.644 -5.504 21.574 1.00 24.89 C ATOM 0 H PHE A 91 -7.351 0.028 23.711 1.00 27.84 H new ATOM 0 HA PHE A 91 -5.473 -0.796 21.578 1.00 27.29 H new ATOM 0 HB2 PHE A 91 -8.473 -1.110 21.787 1.00 26.81 H new ATOM 0 HB3 PHE A 91 -7.666 -1.068 20.233 1.00 26.81 H new ATOM 0 HD1 PHE A 91 -6.798 -3.008 19.321 1.00 25.34 H new ATOM 0 HD2 PHE A 91 -7.575 -2.911 23.513 1.00 26.22 H new ATOM 0 HE1 PHE A 91 -6.291 -5.403 19.470 1.00 24.76 H new ATOM 0 HE2 PHE A 91 -7.069 -5.308 23.658 1.00 25.66 H new ATOM 0 HZ PHE A 91 -6.416 -6.558 21.640 1.00 24.89 H new ATOM 1348 N VAL A 92 -6.146 1.204 20.083 1.00 27.61 N ATOM 1349 CA VAL A 92 -6.193 2.516 19.458 1.00 28.23 C ATOM 1350 C VAL A 92 -6.846 2.454 18.082 1.00 27.94 C ATOM 1351 O VAL A 92 -6.427 1.671 17.226 1.00 27.26 O ATOM 1352 CB VAL A 92 -4.775 3.108 19.291 1.00 28.37 C ATOM 1353 CG1 VAL A 92 -4.838 4.506 18.694 1.00 29.13 C ATOM 1354 CG2 VAL A 92 -4.029 3.120 20.616 1.00 28.67 C ATOM 0 H VAL A 92 -5.754 0.469 19.495 1.00 27.61 H new ATOM 0 HA VAL A 92 -6.785 3.151 20.117 1.00 28.23 H new ATOM 0 HB VAL A 92 -4.224 2.469 18.601 1.00 28.37 H new ATOM 0 HG11 VAL A 92 -3.828 4.901 18.586 1.00 29.13 H new ATOM 0 HG12 VAL A 92 -5.317 4.463 17.716 1.00 29.13 H new ATOM 0 HG13 VAL A 92 -5.414 5.157 19.352 1.00 29.13 H new ATOM 0 HG21 VAL A 92 -3.034 3.541 20.470 1.00 28.67 H new ATOM 0 HG22 VAL A 92 -4.578 3.726 21.337 1.00 28.67 H new ATOM 0 HG23 VAL A 92 -3.940 2.101 20.992 1.00 28.67 H new ATOM 1364 N ASP A 93 -7.866 3.276 17.876 1.00 28.50 N ATOM 1365 CA ASP A 93 -8.484 3.410 16.559 1.00 28.42 C ATOM 1366 C ASP A 93 -7.719 4.495 15.802 1.00 28.86 C ATOM 1367 O ASP A 93 -7.893 5.675 16.098 1.00 29.70 O ATOM 1368 CB ASP A 93 -9.972 3.811 16.664 1.00 29.01 C ATOM 1369 CG ASP A 93 -10.918 2.654 16.410 1.00 28.68 C ATOM 1370 OD1 ASP A 93 -11.326 1.991 17.390 1.00 28.33 O ATOM 1371 OD2 ASP A 93 -11.231 2.383 15.236 1.00 28.82 O ATOM 0 H ASP A 93 -8.284 3.860 18.600 1.00 28.50 H new ATOM 0 HA ASP A 93 -8.441 2.452 16.041 1.00 28.42 H new ATOM 0 HB2 ASP A 93 -10.163 4.218 17.657 1.00 29.01 H new ATOM 0 HB3 ASP A 93 -10.179 4.606 15.948 1.00 29.01 H new ATOM 1376 N HIS A 94 -6.853 4.122 14.854 1.00 28.36 N ATOM 1377 CA HIS A 94 -6.012 5.108 14.164 1.00 28.81 C ATOM 1378 C HIS A 94 -6.841 5.954 13.202 1.00 29.31 C ATOM 1379 O HIS A 94 -6.390 6.998 12.738 1.00 29.90 O ATOM 1380 CB HIS A 94 -4.864 4.423 13.403 1.00 28.18 C ATOM 1381 CG HIS A 94 -3.676 5.314 13.151 1.00 28.49 C ATOM 1382 ND1 HIS A 94 -3.478 6.005 11.973 1.00 28.32 N ATOM 1383 CD2 HIS A 94 -2.606 5.613 13.937 1.00 29.05 C ATOM 1384 CE1 HIS A 94 -2.349 6.685 12.048 1.00 28.75 C ATOM 1385 NE2 HIS A 94 -1.804 6.460 13.225 1.00 29.20 N ATOM 0 H HIS A 94 -6.716 3.158 14.549 1.00 28.36 H new ATOM 0 HA HIS A 94 -5.583 5.761 14.924 1.00 28.81 H new ATOM 0 HB2 HIS A 94 -4.537 3.551 13.969 1.00 28.18 H new ATOM 0 HB3 HIS A 94 -5.242 4.060 12.447 1.00 28.18 H new ATOM 0 HD2 HIS A 94 -2.424 5.249 14.937 1.00 29.05 H new ATOM 0 HE1 HIS A 94 -1.941 7.319 11.274 1.00 28.75 H new ATOM 0 HE2 HIS A 94 -0.923 6.855 13.553 1.00 29.20 H new ATOM 1394 N ASN A 95 -8.058 5.506 12.919 1.00 29.17 N ATOM 1395 CA ASN A 95 -8.950 6.230 12.018 1.00 29.71 C ATOM 1396 C ASN A 95 -9.564 7.434 12.730 1.00 30.73 C ATOM 1397 O ASN A 95 -9.562 8.540 12.195 1.00 31.42 O ATOM 1398 CB ASN A 95 -10.055 5.303 11.476 1.00 29.28 C ATOM 1399 CG ASN A 95 -10.829 4.601 12.579 1.00 29.19 C ATOM 1400 OD1 ASN A 95 -11.777 5.148 13.135 1.00 29.80 O ATOM 1401 ND2 ASN A 95 -10.447 3.372 12.882 1.00 28.49 N ATOM 0 H ASN A 95 -8.451 4.645 13.300 1.00 29.17 H new ATOM 0 HA ASN A 95 -8.363 6.588 11.172 1.00 29.71 H new ATOM 0 HB2 ASN A 95 -10.746 5.887 10.868 1.00 29.28 H new ATOM 0 HB3 ASN A 95 -9.607 4.556 10.821 1.00 29.28 H new ATOM 0 HD21 ASN A 95 -10.945 2.845 13.600 1.00 28.49 H new ATOM 0 HD22 ASN A 95 -9.654 2.950 12.398 1.00 28.49 H new ATOM 1408 N THR A 96 -10.065 7.220 13.942 1.00 30.87 N ATOM 1409 CA THR A 96 -10.649 8.299 14.723 1.00 31.86 C ATOM 1410 C THR A 96 -9.597 8.931 15.627 1.00 32.23 C ATOM 1411 O THR A 96 -9.801 10.021 16.157 1.00 33.14 O ATOM 1412 CB THR A 96 -11.842 7.814 15.572 1.00 31.96 C ATOM 1413 OG1 THR A 96 -11.496 6.599 16.251 1.00 31.19 O ATOM 1414 CG2 THR A 96 -13.082 7.593 14.715 1.00 32.02 C ATOM 0 H THR A 96 -10.077 6.310 14.402 1.00 30.87 H new ATOM 0 HA THR A 96 -11.019 9.044 14.019 1.00 31.86 H new ATOM 0 HB THR A 96 -12.072 8.589 16.303 1.00 31.96 H new ATOM 0 HG1 THR A 96 -11.352 6.785 17.202 1.00 31.19 H new ATOM 0 HG21 THR A 96 -13.903 7.252 15.345 1.00 32.02 H new ATOM 0 HG22 THR A 96 -13.361 8.529 14.230 1.00 32.02 H new ATOM 0 HG23 THR A 96 -12.870 6.840 13.956 1.00 32.02 H new ATOM 1422 N ARG A 97 -8.487 8.209 15.818 1.00 31.56 N ATOM 1423 CA ARG A 97 -7.353 8.684 16.624 1.00 31.87 C ATOM 1424 C ARG A 97 -7.761 8.780 18.081 1.00 32.27 C ATOM 1425 O ARG A 97 -7.328 9.652 18.827 1.00 33.03 O ATOM 1426 CB ARG A 97 -6.840 10.015 16.073 1.00 32.70 C ATOM 1427 CG ARG A 97 -6.423 9.880 14.622 1.00 32.43 C ATOM 1428 CD ARG A 97 -6.111 11.208 13.967 1.00 33.36 C ATOM 1429 NE ARG A 97 -5.891 11.045 12.532 1.00 33.97 N ATOM 1430 CZ ARG A 97 -5.290 11.950 11.761 1.00 34.73 C ATOM 1431 NH1 ARG A 97 -4.801 13.061 12.293 1.00 35.00 N ATOM 1432 NH2 ARG A 97 -5.163 11.735 10.459 1.00 35.29 N ATOM 0 H ARG A 97 -8.348 7.280 15.420 1.00 31.56 H new ATOM 0 HA ARG A 97 -6.530 7.972 16.563 1.00 31.87 H new ATOM 0 HB2 ARG A 97 -7.618 10.773 16.162 1.00 32.70 H new ATOM 0 HB3 ARG A 97 -5.993 10.356 16.668 1.00 32.70 H new ATOM 0 HG2 ARG A 97 -5.545 9.237 14.561 1.00 32.43 H new ATOM 0 HG3 ARG A 97 -7.220 9.386 14.066 1.00 32.43 H new ATOM 0 HD2 ARG A 97 -6.934 11.903 14.136 1.00 33.36 H new ATOM 0 HD3 ARG A 97 -5.225 11.645 14.427 1.00 33.36 H new ATOM 0 HE ARG A 97 -6.218 10.184 12.093 1.00 33.97 H new ATOM 0 HH11 ARG A 97 -4.884 13.226 13.296 1.00 35.00 H new ATOM 0 HH12 ARG A 97 -4.342 13.751 11.699 1.00 35.00 H new ATOM 0 HH21 ARG A 97 -5.526 10.876 10.046 1.00 35.29 H new ATOM 0 HH22 ARG A 97 -4.703 12.429 9.870 1.00 35.29 H new ATOM 1446 N THR A 98 -8.521 7.785 18.478 1.00 31.75 N ATOM 1447 CA THR A 98 -9.043 7.686 19.830 1.00 32.09 C ATOM 1448 C THR A 98 -8.434 6.478 20.552 1.00 31.35 C ATOM 1449 O THR A 98 -7.956 5.543 19.904 1.00 30.48 O ATOM 1450 CB THR A 98 -10.581 7.527 19.801 1.00 32.35 C ATOM 1451 OG1 THR A 98 -10.937 6.458 18.915 1.00 32.15 O ATOM 1452 CG2 THR A 98 -11.261 8.824 19.359 1.00 32.59 C ATOM 0 H THR A 98 -8.799 7.014 17.871 1.00 31.75 H new ATOM 0 HA THR A 98 -8.778 8.600 20.362 1.00 32.09 H new ATOM 0 HB THR A 98 -10.923 7.294 20.809 1.00 32.35 H new ATOM 0 HG1 THR A 98 -11.911 6.347 18.911 1.00 32.15 H new ATOM 0 HG21 THR A 98 -12.342 8.683 19.348 1.00 32.59 H new ATOM 0 HG22 THR A 98 -11.007 9.624 20.055 1.00 32.59 H new ATOM 0 HG23 THR A 98 -10.920 9.091 18.359 1.00 32.59 H new ATOM 1460 N THR A 99 -8.419 6.504 21.884 1.00 31.74 N ATOM 1461 CA THR A 99 -7.938 5.371 22.669 1.00 31.18 C ATOM 1462 C THR A 99 -9.138 4.665 23.302 1.00 31.15 C ATOM 1463 O THR A 99 -9.941 5.312 23.976 1.00 31.92 O ATOM 1464 CB THR A 99 -6.973 5.846 23.784 1.00 31.73 C ATOM 1465 OG1 THR A 99 -7.512 7.021 24.410 1.00 32.77 O ATOM 1466 CG2 THR A 99 -5.574 6.172 23.233 1.00 31.59 C ATOM 0 H THR A 99 -8.735 7.298 22.441 1.00 31.74 H new ATOM 0 HA THR A 99 -7.398 4.688 22.014 1.00 31.18 H new ATOM 0 HB THR A 99 -6.873 5.034 24.505 1.00 31.73 H new ATOM 0 HG1 THR A 99 -8.475 6.904 24.550 1.00 32.77 H new ATOM 0 HG21 THR A 99 -4.930 6.501 24.048 1.00 31.59 H new ATOM 0 HG22 THR A 99 -5.148 5.281 22.771 1.00 31.59 H new ATOM 0 HG23 THR A 99 -5.652 6.965 22.489 1.00 31.59 H new ATOM 1474 N THR A 100 -9.275 3.357 23.110 1.00 30.32 N ATOM 1475 CA THR A 100 -10.446 2.664 23.612 1.00 30.31 C ATOM 1476 C THR A 100 -10.078 1.306 24.200 1.00 29.79 C ATOM 1477 O THR A 100 -9.113 0.669 23.771 1.00 29.19 O ATOM 1478 CB THR A 100 -11.497 2.479 22.487 1.00 29.94 C ATOM 1479 OG1 THR A 100 -12.741 2.043 23.042 1.00 30.23 O ATOM 1480 CG2 THR A 100 -11.031 1.470 21.433 1.00 28.90 C ATOM 0 H THR A 100 -8.601 2.769 22.620 1.00 30.32 H new ATOM 0 HA THR A 100 -10.874 3.278 24.404 1.00 30.31 H new ATOM 0 HB THR A 100 -11.626 3.446 22.000 1.00 29.94 H new ATOM 0 HG1 THR A 100 -13.398 1.931 22.324 1.00 30.23 H new ATOM 0 HG21 THR A 100 -11.796 1.369 20.663 1.00 28.90 H new ATOM 0 HG22 THR A 100 -10.103 1.819 20.980 1.00 28.90 H new ATOM 0 HG23 THR A 100 -10.862 0.502 21.905 1.00 28.90 H new ATOM 1488 N PHE A 101 -10.783 0.918 25.251 1.00 30.11 N ATOM 1489 CA PHE A 101 -10.610 -0.401 25.826 1.00 29.74 C ATOM 1490 C PHE A 101 -11.666 -1.324 25.240 1.00 29.28 C ATOM 1491 O PHE A 101 -12.816 -1.332 25.677 1.00 29.75 O ATOM 1492 CB PHE A 101 -10.722 -0.365 27.354 1.00 30.55 C ATOM 1493 CG PHE A 101 -9.553 0.304 28.029 1.00 30.86 C ATOM 1494 CD1 PHE A 101 -9.417 1.686 28.010 1.00 30.67 C ATOM 1495 CD2 PHE A 101 -8.589 -0.449 28.685 1.00 31.41 C ATOM 1496 CE1 PHE A 101 -8.346 2.299 28.627 1.00 31.03 C ATOM 1497 CE2 PHE A 101 -7.513 0.162 29.306 1.00 31.76 C ATOM 1498 CZ PHE A 101 -7.392 1.537 29.276 1.00 31.57 C ATOM 0 H PHE A 101 -11.478 1.498 25.720 1.00 30.11 H new ATOM 0 HA PHE A 101 -9.612 -0.768 25.585 1.00 29.74 H new ATOM 0 HB2 PHE A 101 -11.638 0.157 27.631 1.00 30.55 H new ATOM 0 HB3 PHE A 101 -10.811 -1.385 27.728 1.00 30.55 H new ATOM 0 HD1 PHE A 101 -10.159 2.288 27.506 1.00 30.67 H new ATOM 0 HD2 PHE A 101 -8.679 -1.525 28.711 1.00 31.41 H new ATOM 0 HE1 PHE A 101 -8.253 3.375 28.603 1.00 31.03 H new ATOM 0 HE2 PHE A 101 -6.770 -0.436 29.813 1.00 31.76 H new ATOM 0 HZ PHE A 101 -6.553 2.017 29.759 1.00 31.57 H new