USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 869 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 16 LYS NZ :NH3+ 161:sc= 1.15 (180deg=-0.354) USER MOD Set 1.2: A 22 ASN : amide:sc= 0.854 K(o=1.6,f=-15!) USER MOD Set 1.3: A 109 SER OG : rot 33:sc= -0.367! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -0.505 K(o=-0.81,f=-13!) USER MOD Set 2.2: A 66 SER OG : rot -49:sc= 1.26 USER MOD Set 2.3: A 68 CYS SG : rot -171:sc= 0.865 USER MOD Set 2.4: A 70 SER OG : rot 180:sc=-0.00925 USER MOD Set 2.5: A 107 THR OG1 : rot -122:sc= 0.903 USER MOD Set 2.6: A 112 HIS :FLIP no HD1:sc= -3.32! C(o=-1.8!,f=-0.81!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -164:sc= 1.28 (180deg=0) USER MOD Set 3.2: A 81 SER OG : rot -114:sc= 2.22 USER MOD Single : A 4 MET CE :methyl 162:sc= -0.0999 (180deg=-0.546) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -70:sc= 1.17 USER MOD Single : A 20 SER OG : rot -87:sc= 1.18 USER MOD Single : A 25 SER OG : rot 22:sc= 0.293 USER MOD Single : A 28 THR OG1 : rot 159:sc= 0.198 USER MOD Single : A 31 SER OG : rot -87:sc= 1.24 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.586 USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.3 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0805 F(o=-2.5!,f=-0.08) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= -0.374 (180deg=-2.64!) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00516 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -82:sc= 0.745 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 86:sc= -0.0304 USER MOD Single : A 64 GLN : amide:sc= 1.15 K(o=1.2,f=-0.038) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 40:sc= 0.00631 USER MOD Single : A 85 MET CE :methyl -143:sc= -0.283 (180deg=-1.98!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 120:sc= 1.05 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -26.556 -4.053 1.271 1.00 4.59 N ATOM 2 CA MET A 4 -26.586 -2.833 0.429 1.00 4.13 C ATOM 3 C MET A 4 -25.565 -2.928 -0.697 1.00 3.08 C ATOM 4 O MET A 4 -25.924 -2.895 -1.875 1.00 3.52 O ATOM 5 CB MET A 4 -26.317 -1.580 1.273 1.00 4.92 C ATOM 6 CG MET A 4 -27.393 -1.292 2.308 1.00 5.54 C ATOM 7 SD MET A 4 -27.054 0.193 3.279 1.00 6.61 S ATOM 8 CE MET A 4 -27.135 1.460 2.015 1.00 7.23 C ATOM 0 HA MET A 4 -27.582 -2.754 -0.006 1.00 4.13 H new ATOM 0 HB2 MET A 4 -25.359 -1.695 1.781 1.00 4.92 H new ATOM 0 HB3 MET A 4 -26.225 -0.720 0.610 1.00 4.92 H new ATOM 0 HG2 MET A 4 -28.353 -1.180 1.805 1.00 5.54 H new ATOM 0 HG3 MET A 4 -27.483 -2.146 2.979 1.00 5.54 H new ATOM 0 HE1 MET A 4 -27.267 2.435 2.485 1.00 7.23 H new ATOM 0 HE2 MET A 4 -26.211 1.457 1.437 1.00 7.23 H new ATOM 0 HE3 MET A 4 -27.977 1.260 1.353 1.00 7.23 H new ATOM 20 N SER A 5 -24.294 -3.057 -0.336 1.00 2.21 N ATOM 21 CA SER A 5 -23.229 -3.124 -1.321 1.00 1.64 C ATOM 22 C SER A 5 -22.035 -3.896 -0.765 1.00 1.29 C ATOM 23 O SER A 5 -21.592 -3.649 0.358 1.00 1.48 O ATOM 24 CB SER A 5 -22.809 -1.707 -1.726 1.00 2.23 C ATOM 25 OG SER A 5 -21.808 -1.729 -2.731 1.00 2.88 O ATOM 0 H SER A 5 -23.979 -3.117 0.632 1.00 2.21 H new ATOM 0 HA SER A 5 -23.595 -3.651 -2.202 1.00 1.64 H new ATOM 0 HB2 SER A 5 -23.678 -1.158 -2.089 1.00 2.23 H new ATOM 0 HB3 SER A 5 -22.437 -1.173 -0.852 1.00 2.23 H new ATOM 0 HG SER A 5 -21.563 -0.810 -2.969 1.00 2.88 H new ATOM 31 N GLU A 6 -21.525 -4.839 -1.546 1.00 1.02 N ATOM 32 CA GLU A 6 -20.360 -5.618 -1.147 1.00 0.78 C ATOM 33 C GLU A 6 -19.114 -5.088 -1.845 1.00 0.71 C ATOM 34 O GLU A 6 -17.990 -5.487 -1.533 1.00 1.06 O ATOM 35 CB GLU A 6 -20.553 -7.097 -1.494 1.00 0.86 C ATOM 36 CG GLU A 6 -20.600 -7.373 -2.988 1.00 1.37 C ATOM 37 CD GLU A 6 -20.791 -8.838 -3.312 1.00 2.17 C ATOM 38 OE1 GLU A 6 -21.894 -9.367 -3.063 1.00 2.56 O ATOM 39 OE2 GLU A 6 -19.847 -9.463 -3.838 1.00 2.80 O ATOM 0 H GLU A 6 -21.901 -5.084 -2.462 1.00 1.02 H new ATOM 0 HA GLU A 6 -20.239 -5.524 -0.068 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -19.740 -7.674 -1.052 1.00 0.86 H new ATOM 0 HB3 GLU A 6 -21.478 -7.450 -1.039 1.00 0.86 H new ATOM 0 HG2 GLU A 6 -21.413 -6.799 -3.433 1.00 1.37 H new ATOM 0 HG3 GLU A 6 -19.675 -7.023 -3.446 1.00 1.37 H new ATOM 46 N LYS A 7 -19.326 -4.184 -2.792 1.00 0.57 N ATOM 47 CA LYS A 7 -18.238 -3.671 -3.602 1.00 0.51 C ATOM 48 C LYS A 7 -17.513 -2.538 -2.902 1.00 0.42 C ATOM 49 O LYS A 7 -18.100 -1.516 -2.547 1.00 0.60 O ATOM 50 CB LYS A 7 -18.737 -3.212 -4.964 1.00 0.64 C ATOM 51 CG LYS A 7 -18.004 -3.865 -6.128 1.00 0.92 C ATOM 52 CD LYS A 7 -18.056 -5.381 -6.040 1.00 0.87 C ATOM 53 CE LYS A 7 -17.517 -6.040 -7.298 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.680 -7.517 -7.255 1.00 1.19 N ATOM 0 H LYS A 7 -20.241 -3.793 -3.015 1.00 0.57 H new ATOM 0 HA LYS A 7 -17.532 -4.489 -3.749 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.802 -3.432 -5.046 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.628 -2.130 -5.037 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -18.449 -3.539 -7.068 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -16.965 -3.536 -6.136 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.477 -5.715 -5.179 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -19.085 -5.700 -5.875 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.036 -5.641 -8.169 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.462 -5.793 -7.415 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.075 -7.954 -7.979 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.406 -7.869 -6.316 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -18.674 -7.762 -7.440 1.00 1.19 H new ATOM 68 N LEU A 8 -16.232 -2.748 -2.723 1.00 0.33 N ATOM 69 CA LEU A 8 -15.357 -1.801 -2.079 1.00 0.26 C ATOM 70 C LEU A 8 -14.362 -1.298 -3.121 1.00 0.22 C ATOM 71 O LEU A 8 -14.150 -1.949 -4.145 1.00 0.22 O ATOM 72 CB LEU A 8 -14.643 -2.510 -0.915 1.00 0.25 C ATOM 73 CG LEU A 8 -14.273 -1.654 0.306 1.00 0.33 C ATOM 74 CD1 LEU A 8 -13.974 -2.549 1.500 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.070 -0.775 0.020 1.00 0.81 C ATOM 0 H LEU A 8 -15.760 -3.599 -3.027 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.906 -0.950 -1.676 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.280 -3.327 -0.575 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.729 -2.959 -1.303 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.124 -1.011 0.532 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.713 -1.933 2.360 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.854 -3.147 1.736 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.140 -3.209 1.260 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.834 -0.182 0.904 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.215 -1.401 -0.236 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.295 -0.110 -0.814 1.00 0.81 H new ATOM 87 N ARG A 9 -13.792 -0.137 -2.884 1.00 0.24 N ATOM 88 CA ARG A 9 -12.726 0.381 -3.725 1.00 0.23 C ATOM 89 C ARG A 9 -11.692 1.061 -2.854 1.00 0.20 C ATOM 90 O ARG A 9 -12.039 1.878 -1.999 1.00 0.21 O ATOM 91 CB ARG A 9 -13.248 1.371 -4.767 1.00 0.25 C ATOM 92 CG ARG A 9 -12.146 1.896 -5.669 1.00 0.26 C ATOM 93 CD ARG A 9 -12.656 2.892 -6.690 1.00 0.34 C ATOM 94 NE ARG A 9 -11.608 3.250 -7.645 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.829 3.830 -8.822 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.059 4.176 -9.181 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.810 4.077 -9.633 1.00 0.98 N ATOM 0 H ARG A 9 -14.049 0.474 -2.109 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.282 -0.458 -4.261 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.011 0.886 -5.375 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.729 2.208 -4.260 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.376 2.368 -5.059 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.675 1.060 -6.186 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.508 2.468 -7.222 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.011 3.789 -6.182 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.642 3.041 -7.392 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.843 3.998 -8.553 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.221 4.620 -10.085 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.863 3.823 -9.354 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.973 4.521 -10.536 1.00 0.98 H new ATOM 111 N ALA A 10 -10.430 0.724 -3.044 1.00 0.20 N ATOM 112 CA ALA A 10 -9.389 1.304 -2.223 1.00 0.17 C ATOM 113 C ALA A 10 -8.085 1.478 -2.988 1.00 0.16 C ATOM 114 O ALA A 10 -7.798 0.746 -3.934 1.00 0.17 O ATOM 115 CB ALA A 10 -9.170 0.445 -0.989 1.00 0.22 C ATOM 0 H ALA A 10 -10.106 0.062 -3.749 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.718 2.299 -1.922 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.385 0.885 -0.374 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.095 0.391 -0.414 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.873 -0.559 -1.293 1.00 0.22 H new ATOM 121 N ALA A 11 -7.305 2.458 -2.561 1.00 0.17 N ATOM 122 CA ALA A 11 -5.990 2.707 -3.126 1.00 0.18 C ATOM 123 C ALA A 11 -4.934 2.199 -2.163 1.00 0.17 C ATOM 124 O ALA A 11 -5.017 2.455 -0.963 1.00 0.19 O ATOM 125 CB ALA A 11 -5.793 4.191 -3.403 1.00 0.20 C ATOM 0 H ALA A 11 -7.566 3.102 -1.814 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.900 2.179 -4.075 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.802 4.354 -3.826 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.549 4.533 -4.110 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.887 4.750 -2.472 1.00 0.20 H new ATOM 131 N HIS A 12 -3.946 1.484 -2.673 1.00 0.16 N ATOM 132 CA HIS A 12 -2.977 0.830 -1.803 1.00 0.16 C ATOM 133 C HIS A 12 -1.546 1.027 -2.297 1.00 0.15 C ATOM 134 O HIS A 12 -1.293 1.101 -3.499 1.00 0.19 O ATOM 135 CB HIS A 12 -3.291 -0.666 -1.677 1.00 0.17 C ATOM 136 CG HIS A 12 -2.869 -1.501 -2.852 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.558 -1.542 -4.042 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.820 -2.346 -3.001 1.00 0.22 C ATOM 139 CE1 HIS A 12 -2.951 -2.378 -4.866 1.00 0.23 C ATOM 140 NE2 HIS A 12 -1.898 -2.878 -4.260 1.00 0.21 N ATOM 0 H HIS A 12 -3.792 1.341 -3.671 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.056 1.296 -0.821 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.802 -1.051 -0.782 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.364 -0.786 -1.531 1.00 0.17 H new ATOM 0 HD1 HIS A 12 -4.403 -1.012 -4.254 1.00 0.23 H new ATOM 0 HD2 HIS A 12 -1.062 -2.560 -2.262 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.268 -2.612 -5.872 1.00 0.23 H new ATOM 149 N LEU A 13 -0.619 1.086 -1.355 1.00 0.15 N ATOM 150 CA LEU A 13 0.794 1.216 -1.670 1.00 0.14 C ATOM 151 C LEU A 13 1.512 -0.049 -1.208 1.00 0.16 C ATOM 152 O LEU A 13 1.087 -0.682 -0.243 1.00 0.24 O ATOM 153 CB LEU A 13 1.369 2.473 -0.989 1.00 0.15 C ATOM 154 CG LEU A 13 2.670 3.035 -1.585 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.806 4.514 -1.267 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.885 2.286 -1.061 1.00 0.18 C ATOM 0 H LEU A 13 -0.823 1.045 -0.356 1.00 0.15 H new ATOM 0 HA LEU A 13 0.938 1.331 -2.744 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.612 3.256 -1.021 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.545 2.243 0.062 1.00 0.15 H new ATOM 0 HG LEU A 13 2.621 2.902 -2.666 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.733 4.895 -1.697 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.960 5.056 -1.690 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.823 4.654 -0.186 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.789 2.707 -1.501 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.931 2.381 0.024 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.807 1.233 -1.330 1.00 0.18 H new ATOM 168 N LEU A 14 2.561 -0.434 -1.917 1.00 0.13 N ATOM 169 CA LEU A 14 3.301 -1.650 -1.606 1.00 0.14 C ATOM 170 C LEU A 14 4.796 -1.366 -1.573 1.00 0.16 C ATOM 171 O LEU A 14 5.323 -0.744 -2.484 1.00 0.27 O ATOM 172 CB LEU A 14 2.977 -2.731 -2.650 1.00 0.16 C ATOM 173 CG LEU A 14 3.819 -4.016 -2.600 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.862 -4.608 -1.199 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.260 -5.040 -3.575 1.00 0.27 C ATOM 0 H LEU A 14 2.923 0.082 -2.719 1.00 0.13 H new ATOM 0 HA LEU A 14 3.003 -2.010 -0.621 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.928 -3.007 -2.539 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.088 -2.291 -3.641 1.00 0.16 H new ATOM 0 HG LEU A 14 4.839 -3.756 -2.884 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.467 -5.515 -1.206 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.300 -3.885 -0.512 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.850 -4.849 -0.875 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.862 -5.948 -3.534 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.230 -5.275 -3.305 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.287 -4.632 -4.586 1.00 0.27 H new ATOM 187 N VAL A 15 5.462 -1.795 -0.514 1.00 0.13 N ATOM 188 CA VAL A 15 6.913 -1.680 -0.424 1.00 0.13 C ATOM 189 C VAL A 15 7.534 -3.066 -0.281 1.00 0.13 C ATOM 190 O VAL A 15 7.054 -3.894 0.501 1.00 0.15 O ATOM 191 CB VAL A 15 7.353 -0.800 0.771 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.868 -0.659 0.812 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.701 0.570 0.706 1.00 0.15 C ATOM 0 H VAL A 15 5.022 -2.227 0.298 1.00 0.13 H new ATOM 0 HA VAL A 15 7.259 -1.202 -1.341 1.00 0.13 H new ATOM 0 HB VAL A 15 7.026 -1.295 1.686 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.153 -0.036 1.660 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.322 -1.644 0.916 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.215 -0.195 -0.111 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.027 1.169 1.557 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.991 1.067 -0.220 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.617 0.459 0.734 1.00 0.15 H new ATOM 203 N LYS A 16 8.575 -3.319 -1.056 1.00 0.15 N ATOM 204 CA LYS A 16 9.293 -4.580 -1.002 1.00 0.17 C ATOM 205 C LYS A 16 10.624 -4.405 -0.287 1.00 0.16 C ATOM 206 O LYS A 16 11.196 -3.314 -0.263 1.00 0.24 O ATOM 207 CB LYS A 16 9.543 -5.112 -2.414 1.00 0.23 C ATOM 208 CG LYS A 16 8.281 -5.467 -3.173 1.00 0.26 C ATOM 209 CD LYS A 16 7.612 -6.703 -2.602 1.00 0.37 C ATOM 210 CE LYS A 16 6.321 -7.007 -3.335 1.00 0.48 C ATOM 211 NZ LYS A 16 6.537 -7.153 -4.798 1.00 0.62 N ATOM 0 H LYS A 16 8.945 -2.658 -1.739 1.00 0.15 H new ATOM 0 HA LYS A 16 8.681 -5.294 -0.451 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.096 -4.363 -2.980 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.177 -5.996 -2.351 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.586 -4.628 -3.137 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.523 -5.636 -4.222 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.287 -7.555 -2.678 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.406 -6.553 -1.542 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.886 -7.924 -2.939 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.602 -6.208 -3.152 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.734 -7.664 -5.218 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.615 -6.212 -5.233 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.414 -7.686 -4.968 1.00 0.62 H new ATOM 225 N PHE A 17 11.117 -5.491 0.274 1.00 0.17 N ATOM 226 CA PHE A 17 12.356 -5.477 1.027 1.00 0.17 C ATOM 227 C PHE A 17 13.041 -6.828 0.903 1.00 0.19 C ATOM 228 O PHE A 17 12.419 -7.799 0.490 1.00 0.21 O ATOM 229 CB PHE A 17 12.089 -5.123 2.498 1.00 0.17 C ATOM 230 CG PHE A 17 11.189 -6.083 3.231 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.706 -7.219 3.837 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.830 -5.835 3.335 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.884 -8.091 4.524 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.004 -6.702 4.024 1.00 0.23 C ATOM 235 CZ PHE A 17 9.530 -7.831 4.620 1.00 0.25 C ATOM 0 H PHE A 17 10.671 -6.407 0.221 1.00 0.17 H new ATOM 0 HA PHE A 17 13.017 -4.712 0.619 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.043 -5.071 3.022 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.646 -4.128 2.542 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.764 -7.424 3.771 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.411 -4.954 2.872 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.299 -8.975 4.986 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.946 -6.497 4.096 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.885 -8.509 5.160 1.00 0.25 H new ATOM 245 N SER A 18 14.324 -6.879 1.200 1.00 0.22 N ATOM 246 CA SER A 18 15.065 -8.129 1.161 1.00 0.26 C ATOM 247 C SER A 18 14.383 -9.183 2.033 1.00 0.30 C ATOM 248 O SER A 18 14.367 -9.081 3.262 1.00 0.30 O ATOM 249 CB SER A 18 16.507 -7.893 1.612 1.00 0.29 C ATOM 250 OG SER A 18 16.561 -7.250 2.876 1.00 1.04 O ATOM 0 H SER A 18 14.879 -6.068 1.472 1.00 0.22 H new ATOM 0 HA SER A 18 15.080 -8.502 0.137 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.033 -8.846 1.666 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.025 -7.284 0.871 1.00 0.29 H new ATOM 0 HG SER A 18 16.256 -6.323 2.785 1.00 1.04 H new ATOM 256 N GLY A 19 13.809 -10.186 1.384 1.00 0.35 N ATOM 257 CA GLY A 19 13.064 -11.200 2.094 1.00 0.45 C ATOM 258 C GLY A 19 11.570 -11.094 1.852 1.00 0.42 C ATOM 259 O GLY A 19 10.783 -11.771 2.512 1.00 0.53 O ATOM 0 H GLY A 19 13.848 -10.314 0.373 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.411 -12.186 1.784 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.264 -11.113 3.162 1.00 0.45 H new ATOM 263 N SER A 20 11.168 -10.251 0.905 1.00 0.34 N ATOM 264 CA SER A 20 9.752 -10.004 0.660 1.00 0.41 C ATOM 265 C SER A 20 9.166 -11.002 -0.337 1.00 0.40 C ATOM 266 O SER A 20 8.199 -10.694 -1.037 1.00 0.45 O ATOM 267 CB SER A 20 9.549 -8.574 0.154 1.00 0.51 C ATOM 268 OG SER A 20 10.362 -8.310 -0.974 1.00 0.70 O ATOM 0 H SER A 20 11.800 -9.730 0.298 1.00 0.34 H new ATOM 0 HA SER A 20 9.225 -10.133 1.605 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.501 -8.423 -0.106 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.785 -7.867 0.949 1.00 0.51 H new ATOM 0 HG SER A 20 11.241 -7.995 -0.677 1.00 0.70 H new ATOM 274 N ARG A 21 9.768 -12.191 -0.401 1.00 0.43 N ATOM 275 CA ARG A 21 9.350 -13.254 -1.322 1.00 0.49 C ATOM 276 C ARG A 21 9.732 -12.924 -2.770 1.00 0.51 C ATOM 277 O ARG A 21 9.797 -13.811 -3.620 1.00 0.60 O ATOM 278 CB ARG A 21 7.846 -13.544 -1.193 1.00 0.58 C ATOM 279 CG ARG A 21 7.467 -14.138 0.152 1.00 1.25 C ATOM 280 CD ARG A 21 6.003 -14.542 0.198 1.00 1.25 C ATOM 281 NE ARG A 21 5.605 -14.979 1.534 1.00 2.28 N ATOM 282 CZ ARG A 21 4.600 -15.818 1.786 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.883 -16.326 0.790 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.313 -16.145 3.041 1.00 3.49 N ATOM 0 H ARG A 21 10.562 -12.446 0.186 1.00 0.43 H new ATOM 0 HA ARG A 21 9.886 -14.160 -1.041 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.289 -12.619 -1.345 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.545 -14.231 -1.984 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.091 -15.009 0.354 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.669 -13.412 0.940 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.383 -13.700 -0.109 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.825 -15.346 -0.516 1.00 1.25 H new ATOM 0 HE ARG A 21 6.132 -14.617 2.329 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.100 -16.075 -0.174 1.00 1.89 H new ATOM 0 HH12 ARG A 21 3.115 -16.967 0.990 1.00 1.89 H new ATOM 0 HH21 ARG A 21 4.861 -15.755 3.808 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.545 -16.787 3.238 1.00 3.49 H new ATOM 298 N ASN A 22 9.972 -11.648 -3.043 1.00 0.51 N ATOM 299 CA ASN A 22 10.524 -11.208 -4.318 1.00 0.62 C ATOM 300 C ASN A 22 11.242 -9.872 -4.125 1.00 0.58 C ATOM 301 O ASN A 22 10.618 -8.831 -3.917 1.00 0.64 O ATOM 302 CB ASN A 22 9.443 -11.121 -5.411 1.00 0.87 C ATOM 303 CG ASN A 22 8.314 -10.151 -5.103 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.360 -8.982 -5.484 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.281 -10.634 -4.428 1.00 0.80 N ATOM 0 H ASN A 22 9.789 -10.889 -2.387 1.00 0.51 H new ATOM 0 HA ASN A 22 11.245 -11.949 -4.662 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.914 -10.825 -6.348 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.020 -12.114 -5.567 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.488 -10.031 -4.208 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.278 -11.609 -4.128 1.00 0.80 H new ATOM 312 N PRO A 23 12.579 -9.892 -4.165 1.00 0.55 N ATOM 313 CA PRO A 23 13.399 -8.735 -3.815 1.00 0.61 C ATOM 314 C PRO A 23 13.542 -7.720 -4.956 1.00 0.79 C ATOM 315 O PRO A 23 14.652 -7.403 -5.378 1.00 1.71 O ATOM 316 CB PRO A 23 14.751 -9.367 -3.500 1.00 0.66 C ATOM 317 CG PRO A 23 14.820 -10.565 -4.385 1.00 0.73 C ATOM 318 CD PRO A 23 13.404 -11.052 -4.557 1.00 0.57 C ATOM 0 HA PRO A 23 12.959 -8.162 -2.998 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.569 -8.676 -3.703 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.823 -9.646 -2.449 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.263 -10.311 -5.348 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.445 -11.340 -3.941 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.207 -11.353 -5.586 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.200 -11.918 -3.927 1.00 0.57 H new ATOM 326 N VAL A 24 12.421 -7.194 -5.428 1.00 0.39 N ATOM 327 CA VAL A 24 12.408 -6.196 -6.495 1.00 0.36 C ATOM 328 C VAL A 24 11.358 -5.134 -6.206 1.00 0.32 C ATOM 329 O VAL A 24 10.177 -5.442 -6.043 1.00 0.35 O ATOM 330 CB VAL A 24 12.121 -6.807 -7.889 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.116 -5.721 -8.966 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.139 -7.886 -8.228 1.00 0.48 C ATOM 0 H VAL A 24 11.494 -7.445 -5.084 1.00 0.39 H new ATOM 0 HA VAL A 24 13.406 -5.759 -6.518 1.00 0.36 H new ATOM 0 HB VAL A 24 11.133 -7.266 -7.858 1.00 0.42 H new ATOM 0 HG11 VAL A 24 11.913 -6.172 -9.937 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.344 -4.986 -8.738 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.088 -5.229 -8.991 1.00 0.43 H new ATOM 0 HG21 VAL A 24 12.917 -8.300 -9.211 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.139 -7.453 -8.234 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.091 -8.679 -7.481 1.00 0.48 H new ATOM 342 N SER A 25 11.795 -3.891 -6.128 1.00 0.32 N ATOM 343 CA SER A 25 10.909 -2.782 -5.871 1.00 0.32 C ATOM 344 C SER A 25 10.650 -2.032 -7.176 1.00 0.32 C ATOM 345 O SER A 25 11.503 -2.021 -8.055 1.00 0.36 O ATOM 346 CB SER A 25 11.574 -1.879 -4.824 1.00 0.42 C ATOM 347 OG SER A 25 10.873 -0.669 -4.639 1.00 1.12 O ATOM 0 H SER A 25 12.774 -3.627 -6.242 1.00 0.32 H new ATOM 0 HA SER A 25 9.947 -3.122 -5.487 1.00 0.32 H new ATOM 0 HB2 SER A 25 11.634 -2.411 -3.874 1.00 0.42 H new ATOM 0 HB3 SER A 25 12.596 -1.661 -5.132 1.00 0.42 H new ATOM 0 HG SER A 25 9.946 -0.779 -4.937 1.00 1.12 H new ATOM 353 N ARG A 26 9.471 -1.429 -7.310 1.00 0.32 N ATOM 354 CA ARG A 26 9.175 -0.561 -8.452 1.00 0.34 C ATOM 355 C ARG A 26 9.851 0.778 -8.225 1.00 0.37 C ATOM 356 O ARG A 26 9.988 1.597 -9.134 1.00 0.44 O ATOM 357 CB ARG A 26 7.668 -0.364 -8.643 1.00 0.39 C ATOM 358 CG ARG A 26 6.974 -1.480 -9.426 1.00 0.52 C ATOM 359 CD ARG A 26 7.429 -2.865 -8.986 1.00 0.82 C ATOM 360 NE ARG A 26 6.675 -3.938 -9.637 1.00 1.21 N ATOM 361 CZ ARG A 26 7.234 -5.007 -10.205 1.00 1.88 C ATOM 362 NH1 ARG A 26 8.554 -5.093 -10.323 1.00 2.47 N ATOM 363 NH2 ARG A 26 6.469 -5.975 -10.685 1.00 2.54 N ATOM 0 H ARG A 26 8.704 -1.524 -6.644 1.00 0.32 H new ATOM 0 HA ARG A 26 9.554 -1.033 -9.359 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.199 -0.280 -7.663 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.501 0.582 -9.159 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.895 -1.396 -9.295 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.177 -1.354 -10.490 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.489 -2.983 -9.210 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.320 -2.953 -7.905 1.00 0.82 H new ATOM 0 HE ARG A 26 5.658 -3.863 -9.657 1.00 1.21 H new ATOM 0 HH11 ARG A 26 9.147 -4.338 -9.978 1.00 2.47 H new ATOM 0 HH12 ARG A 26 8.975 -5.914 -10.759 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.454 -5.902 -10.620 1.00 2.54 H new ATOM 0 HH22 ARG A 26 6.895 -6.793 -11.120 1.00 2.54 H new ATOM 377 N ARG A 27 10.270 0.980 -6.986 1.00 0.36 N ATOM 378 CA ARG A 27 11.015 2.158 -6.601 1.00 0.44 C ATOM 379 C ARG A 27 12.456 2.029 -7.079 1.00 0.53 C ATOM 380 O ARG A 27 13.077 3.016 -7.476 1.00 0.73 O ATOM 381 CB ARG A 27 10.967 2.321 -5.081 1.00 0.52 C ATOM 382 CG ARG A 27 10.998 3.760 -4.604 1.00 0.55 C ATOM 383 CD ARG A 27 12.371 4.397 -4.719 1.00 0.70 C ATOM 384 NE ARG A 27 13.362 3.720 -3.884 1.00 0.91 N ATOM 385 CZ ARG A 27 14.665 3.662 -4.162 1.00 1.12 C ATOM 386 NH1 ARG A 27 15.138 4.200 -5.276 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.496 3.055 -3.324 1.00 1.63 N ATOM 0 H ARG A 27 10.100 0.328 -6.221 1.00 0.36 H new ATOM 0 HA ARG A 27 10.571 3.040 -7.062 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.061 1.846 -4.705 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.811 1.788 -4.644 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.284 4.344 -5.184 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.672 3.799 -3.565 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.696 4.372 -5.759 1.00 0.70 H new ATOM 0 HD3 ARG A 27 12.309 5.446 -4.429 1.00 0.70 H new ATOM 0 HE ARG A 27 13.035 3.262 -3.033 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.504 4.663 -5.928 1.00 1.77 H new ATOM 0 HH12 ARG A 27 16.136 4.152 -5.482 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.138 2.633 -2.467 1.00 1.63 H new ATOM 0 HH22 ARG A 27 16.493 3.011 -3.537 1.00 1.63 H new ATOM 401 N THR A 28 12.988 0.809 -7.051 1.00 0.45 N ATOM 402 CA THR A 28 14.355 0.580 -7.486 1.00 0.53 C ATOM 403 C THR A 28 14.383 0.081 -8.927 1.00 0.55 C ATOM 404 O THR A 28 15.295 0.390 -9.692 1.00 0.67 O ATOM 405 CB THR A 28 15.071 -0.441 -6.577 1.00 0.55 C ATOM 406 OG1 THR A 28 14.482 -1.741 -6.717 1.00 0.55 O ATOM 407 CG2 THR A 28 14.981 -0.022 -5.121 1.00 0.53 C ATOM 0 H THR A 28 12.495 -0.026 -6.734 1.00 0.45 H new ATOM 0 HA THR A 28 14.881 1.533 -7.421 1.00 0.53 H new ATOM 0 HB THR A 28 16.117 -0.476 -6.882 1.00 0.55 H new ATOM 0 HG1 THR A 28 15.121 -2.423 -6.422 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.492 -0.756 -4.499 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.452 0.953 -4.993 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.934 0.039 -4.824 1.00 0.53 H new ATOM 415 N GLY A 29 13.368 -0.696 -9.282 1.00 0.47 N ATOM 416 CA GLY A 29 13.231 -1.223 -10.628 1.00 0.52 C ATOM 417 C GLY A 29 14.183 -2.365 -10.917 1.00 0.58 C ATOM 418 O GLY A 29 14.054 -3.044 -11.936 1.00 0.82 O ATOM 0 H GLY A 29 12.621 -0.976 -8.646 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.207 -1.565 -10.776 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.406 -0.421 -11.346 1.00 0.52 H new ATOM 422 N ASP A 30 15.130 -2.583 -10.020 1.00 0.53 N ATOM 423 CA ASP A 30 16.107 -3.645 -10.188 1.00 0.58 C ATOM 424 C ASP A 30 15.947 -4.678 -9.084 1.00 0.55 C ATOM 425 O ASP A 30 15.474 -5.785 -9.321 1.00 0.84 O ATOM 426 CB ASP A 30 17.528 -3.077 -10.176 1.00 0.67 C ATOM 427 CG ASP A 30 18.574 -4.131 -10.475 1.00 1.31 C ATOM 428 OD1 ASP A 30 19.017 -4.820 -9.529 1.00 2.10 O ATOM 429 OD2 ASP A 30 18.962 -4.277 -11.652 1.00 1.69 O ATOM 0 H ASP A 30 15.243 -2.037 -9.166 1.00 0.53 H new ATOM 0 HA ASP A 30 15.936 -4.125 -11.152 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.602 -2.276 -10.912 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.731 -2.634 -9.201 1.00 0.67 H new ATOM 434 N SER A 31 16.330 -4.300 -7.875 1.00 0.53 N ATOM 435 CA SER A 31 16.212 -5.182 -6.728 1.00 0.50 C ATOM 436 C SER A 31 16.058 -4.377 -5.444 1.00 0.42 C ATOM 437 O SER A 31 16.449 -3.212 -5.382 1.00 0.48 O ATOM 438 CB SER A 31 17.436 -6.095 -6.647 1.00 0.62 C ATOM 439 OG SER A 31 18.621 -5.383 -6.973 1.00 1.08 O ATOM 0 H SER A 31 16.727 -3.384 -7.664 1.00 0.53 H new ATOM 0 HA SER A 31 15.321 -5.797 -6.849 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.520 -6.509 -5.642 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.313 -6.936 -7.329 1.00 0.62 H new ATOM 0 HG SER A 31 18.757 -5.401 -7.943 1.00 1.08 H new ATOM 445 N THR A 32 15.445 -4.984 -4.440 1.00 0.34 N ATOM 446 CA THR A 32 15.323 -4.359 -3.125 1.00 0.29 C ATOM 447 C THR A 32 15.941 -5.272 -2.059 1.00 0.27 C ATOM 448 O THR A 32 15.492 -5.341 -0.917 1.00 0.28 O ATOM 449 CB THR A 32 13.845 -4.021 -2.802 1.00 0.27 C ATOM 450 OG1 THR A 32 13.727 -3.353 -1.545 1.00 0.27 O ATOM 451 CG2 THR A 32 12.982 -5.267 -2.797 1.00 0.29 C ATOM 0 H THR A 32 15.023 -5.910 -4.507 1.00 0.34 H new ATOM 0 HA THR A 32 15.870 -3.416 -3.129 1.00 0.29 H new ATOM 0 HB THR A 32 13.494 -3.354 -3.589 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.807 -3.433 -1.217 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.952 -4.995 -2.567 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.022 -5.741 -3.778 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.351 -5.962 -2.043 1.00 0.29 H new ATOM 459 N ALA A 33 17.005 -5.958 -2.452 1.00 0.31 N ATOM 460 CA ALA A 33 17.644 -6.960 -1.608 1.00 0.32 C ATOM 461 C ALA A 33 18.559 -6.332 -0.550 1.00 0.34 C ATOM 462 O ALA A 33 19.101 -7.032 0.304 1.00 0.37 O ATOM 463 CB ALA A 33 18.422 -7.939 -2.473 1.00 0.37 C ATOM 0 H ALA A 33 17.449 -5.837 -3.362 1.00 0.31 H new ATOM 0 HA ALA A 33 16.858 -7.491 -1.071 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.898 -8.686 -1.838 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.741 -8.432 -3.166 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.185 -7.401 -3.035 1.00 0.37 H new ATOM 469 N ASP A 34 18.737 -5.020 -0.611 1.00 0.35 N ATOM 470 CA ASP A 34 19.601 -4.323 0.346 1.00 0.40 C ATOM 471 C ASP A 34 18.784 -3.706 1.478 1.00 0.36 C ATOM 472 O ASP A 34 19.279 -3.516 2.588 1.00 0.43 O ATOM 473 CB ASP A 34 20.409 -3.228 -0.359 1.00 0.49 C ATOM 474 CG ASP A 34 21.345 -2.497 0.585 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.406 -3.058 0.927 1.00 1.31 O ATOM 476 OD2 ASP A 34 21.026 -1.359 0.992 1.00 2.21 O ATOM 0 H ASP A 34 18.300 -4.415 -1.306 1.00 0.35 H new ATOM 0 HA ASP A 34 20.284 -5.058 0.771 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.989 -3.673 -1.168 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.725 -2.512 -0.814 1.00 0.49 H new ATOM 481 N VAL A 35 17.525 -3.423 1.199 1.00 0.31 N ATOM 482 CA VAL A 35 16.651 -2.774 2.167 1.00 0.28 C ATOM 483 C VAL A 35 15.871 -3.822 2.958 1.00 0.25 C ATOM 484 O VAL A 35 15.411 -4.814 2.400 1.00 0.25 O ATOM 485 CB VAL A 35 15.705 -1.747 1.474 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.770 -1.872 -0.042 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.268 -1.886 1.955 1.00 0.26 C ATOM 0 H VAL A 35 17.080 -3.633 0.305 1.00 0.31 H new ATOM 0 HA VAL A 35 17.266 -2.212 2.870 1.00 0.28 H new ATOM 0 HB VAL A 35 16.057 -0.754 1.754 1.00 0.27 H new ATOM 0 HG11 VAL A 35 15.099 -1.143 -0.496 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.790 -1.686 -0.379 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.467 -2.877 -0.338 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.642 -1.152 1.448 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.905 -2.889 1.732 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.226 -1.716 3.031 1.00 0.26 H new ATOM 497 N THR A 36 15.757 -3.615 4.263 1.00 0.25 N ATOM 498 CA THR A 36 15.067 -4.552 5.136 1.00 0.27 C ATOM 499 C THR A 36 13.654 -4.065 5.382 1.00 0.23 C ATOM 500 O THR A 36 13.275 -3.029 4.850 1.00 0.20 O ATOM 501 CB THR A 36 15.785 -4.678 6.490 1.00 0.31 C ATOM 502 OG1 THR A 36 15.903 -3.384 7.095 1.00 0.30 O ATOM 503 CG2 THR A 36 17.163 -5.302 6.324 1.00 0.39 C ATOM 0 H THR A 36 16.137 -2.799 4.742 1.00 0.25 H new ATOM 0 HA THR A 36 15.058 -5.526 4.648 1.00 0.27 H new ATOM 0 HB THR A 36 15.194 -5.330 7.134 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.694 -2.928 6.740 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.647 -5.379 7.297 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.062 -6.297 5.890 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.768 -4.678 5.666 1.00 0.39 H new ATOM 511 N TYR A 37 12.870 -4.770 6.187 1.00 0.26 N ATOM 512 CA TYR A 37 11.564 -4.245 6.546 1.00 0.27 C ATOM 513 C TYR A 37 11.722 -2.987 7.391 1.00 0.23 C ATOM 514 O TYR A 37 10.850 -2.135 7.399 1.00 0.23 O ATOM 515 CB TYR A 37 10.665 -5.281 7.244 1.00 0.38 C ATOM 516 CG TYR A 37 11.333 -6.153 8.286 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.140 -5.619 9.281 1.00 0.68 C ATOM 518 CD2 TYR A 37 11.126 -7.525 8.279 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.727 -6.426 10.235 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.710 -8.341 9.229 1.00 1.53 C ATOM 521 CZ TYR A 37 12.509 -7.786 10.205 1.00 1.12 C ATOM 522 OH TYR A 37 13.089 -8.594 11.157 1.00 1.50 O ATOM 0 H TYR A 37 13.106 -5.676 6.591 1.00 0.26 H new ATOM 0 HA TYR A 37 11.053 -3.990 5.617 1.00 0.27 H new ATOM 0 HB2 TYR A 37 9.838 -4.752 7.719 1.00 0.38 H new ATOM 0 HB3 TYR A 37 10.233 -5.929 6.481 1.00 0.38 H new ATOM 0 HD1 TYR A 37 12.312 -4.553 9.309 1.00 0.68 H new ATOM 0 HD2 TYR A 37 10.497 -7.963 7.518 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.354 -5.993 11.001 1.00 0.74 H new ATOM 0 HE2 TYR A 37 11.541 -9.408 9.207 1.00 1.53 H new ATOM 0 HH TYR A 37 12.834 -9.526 10.994 1.00 1.50 H new ATOM 532 N GLU A 38 12.860 -2.852 8.063 1.00 0.23 N ATOM 533 CA GLU A 38 13.154 -1.642 8.820 1.00 0.24 C ATOM 534 C GLU A 38 13.406 -0.484 7.867 1.00 0.24 C ATOM 535 O GLU A 38 12.870 0.611 8.047 1.00 0.26 O ATOM 536 CB GLU A 38 14.366 -1.846 9.728 1.00 0.29 C ATOM 537 CG GLU A 38 14.165 -2.921 10.780 1.00 0.35 C ATOM 538 CD GLU A 38 15.336 -3.018 11.732 1.00 0.67 C ATOM 539 OE1 GLU A 38 15.406 -2.213 12.681 1.00 0.93 O ATOM 540 OE2 GLU A 38 16.192 -3.904 11.534 1.00 0.96 O ATOM 0 H GLU A 38 13.591 -3.563 8.099 1.00 0.23 H new ATOM 0 HA GLU A 38 12.293 -1.412 9.448 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.229 -2.107 9.115 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.600 -0.904 10.224 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.257 -2.709 11.345 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.018 -3.883 10.290 1.00 0.35 H new ATOM 547 N ASP A 39 14.206 -0.739 6.837 1.00 0.24 N ATOM 548 CA ASP A 39 14.483 0.272 5.816 1.00 0.26 C ATOM 549 C ASP A 39 13.225 0.532 4.993 1.00 0.22 C ATOM 550 O ASP A 39 12.995 1.637 4.501 1.00 0.23 O ATOM 551 CB ASP A 39 15.616 -0.176 4.886 1.00 0.31 C ATOM 552 CG ASP A 39 16.913 -0.470 5.612 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.605 0.484 6.018 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.245 -1.662 5.771 1.00 0.82 O ATOM 0 H ASP A 39 14.674 -1.633 6.685 1.00 0.24 H new ATOM 0 HA ASP A 39 14.792 1.187 6.321 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.301 -1.069 4.346 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.793 0.601 4.142 1.00 0.31 H new ATOM 559 N ALA A 40 12.416 -0.508 4.858 1.00 0.19 N ATOM 560 CA ALA A 40 11.163 -0.432 4.120 1.00 0.18 C ATOM 561 C ALA A 40 10.118 0.348 4.905 1.00 0.16 C ATOM 562 O ALA A 40 9.384 1.157 4.339 1.00 0.17 O ATOM 563 CB ALA A 40 10.650 -1.825 3.792 1.00 0.18 C ATOM 0 H ALA A 40 12.609 -1.427 5.256 1.00 0.19 H new ATOM 0 HA ALA A 40 11.352 0.096 3.186 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.713 -1.747 3.241 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.386 -2.350 3.184 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.482 -2.378 4.716 1.00 0.18 H new ATOM 569 N ILE A 41 10.042 0.100 6.210 1.00 0.16 N ATOM 570 CA ILE A 41 9.161 0.867 7.080 1.00 0.18 C ATOM 571 C ILE A 41 9.604 2.318 7.097 1.00 0.20 C ATOM 572 O ILE A 41 8.780 3.228 7.115 1.00 0.21 O ATOM 573 CB ILE A 41 9.122 0.310 8.527 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.410 -1.046 8.561 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.432 1.288 9.469 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.404 -1.701 9.926 1.00 0.30 C ATOM 0 H ILE A 41 10.579 -0.625 6.686 1.00 0.16 H new ATOM 0 HA ILE A 41 8.151 0.785 6.678 1.00 0.18 H new ATOM 0 HB ILE A 41 10.150 0.176 8.864 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.381 -0.913 8.228 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.892 -1.716 7.849 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.418 0.874 10.477 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.974 2.234 9.473 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.409 1.458 9.132 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.882 -2.656 9.869 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.430 -1.867 10.254 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.896 -1.052 10.639 1.00 0.30 H new ATOM 588 N LYS A 42 10.915 2.525 7.038 1.00 0.22 N ATOM 589 CA LYS A 42 11.470 3.870 7.010 1.00 0.28 C ATOM 590 C LYS A 42 11.010 4.594 5.753 1.00 0.28 C ATOM 591 O LYS A 42 10.981 5.824 5.696 1.00 0.37 O ATOM 592 CB LYS A 42 12.992 3.830 7.031 1.00 0.31 C ATOM 593 CG LYS A 42 13.611 5.183 7.339 1.00 0.85 C ATOM 594 CD LYS A 42 14.982 5.351 6.703 1.00 1.14 C ATOM 595 CE LYS A 42 14.874 5.489 5.190 1.00 1.46 C ATOM 596 NZ LYS A 42 16.184 5.801 4.561 1.00 2.32 N ATOM 0 H LYS A 42 11.610 1.779 7.009 1.00 0.22 H new ATOM 0 HA LYS A 42 11.117 4.400 7.895 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.322 3.106 7.776 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.355 3.481 6.065 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.949 5.972 6.983 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.697 5.303 8.419 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.472 6.232 7.117 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.608 4.493 6.949 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.482 4.563 4.769 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.160 6.276 4.948 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.063 5.886 3.532 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 16.547 6.698 4.942 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 16.859 5.038 4.768 1.00 2.32 H new ATOM 610 N GLU A 43 10.661 3.809 4.751 1.00 0.22 N ATOM 611 CA GLU A 43 10.195 4.329 3.485 1.00 0.25 C ATOM 612 C GLU A 43 8.695 4.542 3.550 1.00 0.18 C ATOM 613 O GLU A 43 8.198 5.655 3.368 1.00 0.18 O ATOM 614 CB GLU A 43 10.522 3.342 2.365 1.00 0.33 C ATOM 615 CG GLU A 43 10.148 3.840 0.983 1.00 0.34 C ATOM 616 CD GLU A 43 11.335 4.397 0.234 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.316 3.656 0.026 1.00 1.02 O ATOM 618 OE2 GLU A 43 11.298 5.586 -0.140 1.00 0.94 O ATOM 0 H GLU A 43 10.694 2.790 4.795 1.00 0.22 H new ATOM 0 HA GLU A 43 10.692 5.278 3.281 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.590 3.124 2.386 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.001 2.404 2.556 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.711 3.022 0.410 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.383 4.611 1.072 1.00 0.34 H new ATOM 625 N LEU A 44 7.986 3.463 3.861 1.00 0.16 N ATOM 626 CA LEU A 44 6.530 3.463 3.845 1.00 0.15 C ATOM 627 C LEU A 44 5.978 4.508 4.806 1.00 0.14 C ATOM 628 O LEU A 44 4.982 5.162 4.512 1.00 0.16 O ATOM 629 CB LEU A 44 5.982 2.078 4.210 1.00 0.13 C ATOM 630 CG LEU A 44 4.472 1.907 4.009 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.104 2.094 2.550 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.017 0.540 4.481 1.00 0.14 C ATOM 0 H LEU A 44 8.401 2.571 4.129 1.00 0.16 H new ATOM 0 HA LEU A 44 6.208 3.712 2.834 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.500 1.329 3.611 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.220 1.873 5.254 1.00 0.13 H new ATOM 0 HG LEU A 44 3.967 2.669 4.603 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.028 1.969 2.427 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.392 3.095 2.227 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.627 1.353 1.945 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.942 0.442 4.329 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.536 -0.232 3.914 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.245 0.427 5.541 1.00 0.14 H new ATOM 644 N GLN A 45 6.651 4.674 5.942 1.00 0.14 N ATOM 645 CA GLN A 45 6.198 5.602 6.972 1.00 0.14 C ATOM 646 C GLN A 45 6.281 7.046 6.520 1.00 0.17 C ATOM 647 O GLN A 45 5.493 7.874 6.961 1.00 0.27 O ATOM 648 CB GLN A 45 6.988 5.409 8.265 1.00 0.16 C ATOM 649 CG GLN A 45 6.340 4.410 9.206 1.00 0.22 C ATOM 650 CD GLN A 45 5.207 5.007 10.021 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.549 6.025 9.490 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 4.924 4.555 11.128 1.00 0.44 N flip ATOM 0 H GLN A 45 7.512 4.177 6.172 1.00 0.14 H new ATOM 0 HA GLN A 45 5.148 5.376 7.160 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.996 5.072 8.023 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.086 6.369 8.772 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.959 3.569 8.627 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.097 4.014 9.883 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.452 3.769 11.508 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.161 4.966 11.667 1.00 0.44 H new ATOM 661 N LYS A 46 7.223 7.350 5.646 1.00 0.14 N ATOM 662 CA LYS A 46 7.362 8.705 5.137 1.00 0.17 C ATOM 663 C LYS A 46 6.317 8.977 4.070 1.00 0.18 C ATOM 664 O LYS A 46 5.700 10.041 4.049 1.00 0.21 O ATOM 665 CB LYS A 46 8.766 8.931 4.584 1.00 0.22 C ATOM 666 CG LYS A 46 9.827 9.016 5.665 1.00 0.27 C ATOM 667 CD LYS A 46 11.227 9.012 5.080 1.00 0.39 C ATOM 668 CE LYS A 46 12.279 9.180 6.158 1.00 0.49 C ATOM 669 NZ LYS A 46 12.036 8.288 7.324 1.00 1.31 N ATOM 0 H LYS A 46 7.900 6.683 5.275 1.00 0.14 H new ATOM 0 HA LYS A 46 7.205 9.401 5.961 1.00 0.17 H new ATOM 0 HB2 LYS A 46 9.016 8.119 3.902 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.776 9.852 4.001 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.679 9.924 6.249 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.717 8.175 6.350 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.397 8.077 4.547 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.320 9.817 4.351 1.00 0.39 H new ATOM 0 HE2 LYS A 46 13.263 8.968 5.739 1.00 0.49 H new ATOM 0 HE3 LYS A 46 12.292 10.217 6.493 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.946 8.012 7.746 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.464 8.791 8.032 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.528 7.437 7.010 1.00 1.31 H new ATOM 683 N TRP A 47 6.110 8.011 3.190 1.00 0.16 N ATOM 684 CA TRP A 47 5.108 8.144 2.148 1.00 0.19 C ATOM 685 C TRP A 47 3.700 8.174 2.732 1.00 0.19 C ATOM 686 O TRP A 47 2.896 9.020 2.348 1.00 0.22 O ATOM 687 CB TRP A 47 5.274 7.031 1.111 1.00 0.20 C ATOM 688 CG TRP A 47 6.636 7.072 0.494 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.571 6.076 0.466 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.236 8.203 -0.147 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.715 6.526 -0.145 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.531 7.824 -0.530 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.802 9.501 -0.432 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.396 8.692 -1.178 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.663 10.362 -1.080 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.950 9.954 -1.446 1.00 0.52 C ATOM 0 H TRP A 47 6.622 7.129 3.177 1.00 0.16 H new ATOM 0 HA TRP A 47 5.257 9.098 1.643 1.00 0.19 H new ATOM 0 HB2 TRP A 47 5.114 6.062 1.584 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.516 7.136 0.335 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.431 5.082 0.865 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.565 5.980 -0.288 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.811 9.824 -0.150 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.390 8.380 -1.462 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.339 11.366 -1.308 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.603 10.651 -1.950 1.00 0.52 H new ATOM 707 N SER A 48 3.408 7.287 3.680 1.00 0.17 N ATOM 708 CA SER A 48 2.113 7.304 4.344 1.00 0.19 C ATOM 709 C SER A 48 1.951 8.596 5.140 1.00 0.20 C ATOM 710 O SER A 48 0.850 9.127 5.262 1.00 0.28 O ATOM 711 CB SER A 48 1.934 6.074 5.252 1.00 0.23 C ATOM 712 OG SER A 48 2.842 6.073 6.346 1.00 0.82 O ATOM 0 H SER A 48 4.044 6.557 4.001 1.00 0.17 H new ATOM 0 HA SER A 48 1.336 7.262 3.581 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.912 6.051 5.631 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.076 5.167 4.664 1.00 0.23 H new ATOM 0 HG SER A 48 2.691 5.276 6.895 1.00 0.82 H new ATOM 718 N GLN A 49 3.066 9.110 5.656 1.00 0.17 N ATOM 719 CA GLN A 49 3.067 10.366 6.395 1.00 0.17 C ATOM 720 C GLN A 49 2.710 11.522 5.471 1.00 0.18 C ATOM 721 O GLN A 49 1.840 12.333 5.786 1.00 0.21 O ATOM 722 CB GLN A 49 4.438 10.629 7.012 1.00 0.19 C ATOM 723 CG GLN A 49 4.399 11.613 8.163 1.00 0.23 C ATOM 724 CD GLN A 49 5.779 12.005 8.641 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.362 11.347 9.504 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.306 13.087 8.096 1.00 0.45 N ATOM 0 H GLN A 49 3.983 8.672 5.574 1.00 0.17 H new ATOM 0 HA GLN A 49 2.325 10.288 7.189 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.857 9.686 7.363 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.109 11.009 6.241 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.858 12.507 7.853 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.842 11.175 8.992 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.789 13.603 7.384 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.230 13.406 8.387 1.00 0.45 H new ATOM 735 N ARG A 50 3.392 11.583 4.333 1.00 0.16 N ATOM 736 CA ARG A 50 3.177 12.645 3.357 1.00 0.16 C ATOM 737 C ARG A 50 1.770 12.588 2.780 1.00 0.14 C ATOM 738 O ARG A 50 1.118 13.617 2.628 1.00 0.15 O ATOM 739 CB ARG A 50 4.187 12.551 2.220 1.00 0.15 C ATOM 740 CG ARG A 50 5.617 12.836 2.626 1.00 0.19 C ATOM 741 CD ARG A 50 6.551 12.685 1.442 1.00 0.20 C ATOM 742 NE ARG A 50 7.926 13.042 1.776 1.00 0.27 N ATOM 743 CZ ARG A 50 8.839 13.415 0.880 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.520 13.491 -0.408 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.071 13.715 1.273 1.00 0.42 N ATOM 0 H ARG A 50 4.104 10.904 4.062 1.00 0.16 H new ATOM 0 HA ARG A 50 3.308 13.593 3.879 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.137 11.551 1.789 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.899 13.251 1.436 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.692 13.847 3.028 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.917 12.154 3.421 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.521 11.655 1.087 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.202 13.315 0.624 1.00 0.20 H new ATOM 0 HE ARG A 50 8.206 13.004 2.756 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.574 13.263 -0.713 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.221 13.777 -1.091 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.319 13.660 2.261 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.770 14.000 0.587 1.00 0.42 H new ATOM 759 N ILE A 51 1.324 11.389 2.434 1.00 0.13 N ATOM 760 CA ILE A 51 -0.028 11.189 1.928 1.00 0.13 C ATOM 761 C ILE A 51 -1.063 11.637 2.962 1.00 0.16 C ATOM 762 O ILE A 51 -2.075 12.250 2.619 1.00 0.20 O ATOM 763 CB ILE A 51 -0.269 9.707 1.550 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.642 9.297 0.388 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.726 9.466 1.188 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.561 7.824 0.040 1.00 0.13 C ATOM 0 H ILE A 51 1.881 10.536 2.494 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.138 11.797 1.030 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.029 9.094 2.419 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.380 9.884 -0.492 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.673 9.545 0.641 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.867 8.417 0.927 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.359 9.716 2.040 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.998 10.092 0.338 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.233 7.609 -0.791 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.852 7.229 0.906 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.461 7.573 -0.245 1.00 0.13 H new ATOM 778 N ALA A 52 -0.789 11.350 4.229 1.00 0.16 N ATOM 779 CA ALA A 52 -1.699 11.704 5.310 1.00 0.20 C ATOM 780 C ALA A 52 -1.703 13.208 5.581 1.00 0.22 C ATOM 781 O ALA A 52 -2.746 13.779 5.905 1.00 0.27 O ATOM 782 CB ALA A 52 -1.335 10.941 6.575 1.00 0.21 C ATOM 0 H ALA A 52 0.059 10.872 4.533 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.705 11.424 4.998 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.023 11.214 7.375 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.405 9.870 6.387 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.316 11.191 6.871 1.00 0.21 H new ATOM 788 N SER A 53 -0.547 13.850 5.456 1.00 0.22 N ATOM 789 CA SER A 53 -0.439 15.278 5.743 1.00 0.26 C ATOM 790 C SER A 53 -0.823 16.122 4.531 1.00 0.28 C ATOM 791 O SER A 53 -1.334 17.235 4.671 1.00 0.35 O ATOM 792 CB SER A 53 0.983 15.614 6.187 1.00 0.28 C ATOM 793 OG SER A 53 1.935 15.106 5.267 1.00 0.26 O ATOM 0 H SER A 53 0.324 13.409 5.160 1.00 0.22 H new ATOM 0 HA SER A 53 -1.135 15.513 6.548 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.095 16.695 6.273 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.168 15.195 7.176 1.00 0.28 H new ATOM 0 HG SER A 53 2.097 14.158 5.454 1.00 0.26 H new ATOM 799 N GLY A 54 -0.584 15.588 3.341 1.00 0.25 N ATOM 800 CA GLY A 54 -0.938 16.296 2.132 1.00 0.28 C ATOM 801 C GLY A 54 0.272 16.809 1.378 1.00 0.26 C ATOM 802 O GLY A 54 0.136 17.613 0.453 1.00 0.30 O ATOM 0 H GLY A 54 -0.151 14.676 3.194 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.511 15.634 1.483 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.586 17.135 2.384 1.00 0.28 H new ATOM 806 N GLU A 55 1.459 16.358 1.774 1.00 0.23 N ATOM 807 CA GLU A 55 2.681 16.707 1.055 1.00 0.23 C ATOM 808 C GLU A 55 2.612 16.162 -0.364 1.00 0.20 C ATOM 809 O GLU A 55 2.846 16.880 -1.333 1.00 0.24 O ATOM 810 CB GLU A 55 3.912 16.162 1.774 1.00 0.24 C ATOM 811 CG GLU A 55 4.177 16.839 3.103 1.00 0.42 C ATOM 812 CD GLU A 55 5.471 16.382 3.740 1.00 0.46 C ATOM 813 OE1 GLU A 55 5.463 15.364 4.460 1.00 0.65 O ATOM 814 OE2 GLU A 55 6.507 17.045 3.523 1.00 0.54 O ATOM 0 H GLU A 55 1.601 15.754 2.584 1.00 0.23 H new ATOM 0 HA GLU A 55 2.767 17.793 1.020 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.785 15.092 1.938 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.784 16.284 1.131 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.210 17.919 2.957 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.350 16.634 3.782 1.00 0.42 H new ATOM 821 N VAL A 56 2.270 14.889 -0.471 1.00 0.17 N ATOM 822 CA VAL A 56 2.029 14.265 -1.761 1.00 0.15 C ATOM 823 C VAL A 56 0.730 13.488 -1.708 1.00 0.15 C ATOM 824 O VAL A 56 0.284 13.081 -0.635 1.00 0.19 O ATOM 825 CB VAL A 56 3.167 13.311 -2.199 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.416 14.091 -2.566 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.479 12.289 -1.120 1.00 0.15 C ATOM 0 H VAL A 56 2.152 14.264 0.326 1.00 0.17 H new ATOM 0 HA VAL A 56 1.979 15.069 -2.496 1.00 0.15 H new ATOM 0 HB VAL A 56 2.822 12.774 -3.082 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.201 13.399 -2.870 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.192 14.770 -3.389 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.753 14.665 -1.703 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.282 11.635 -1.460 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.790 12.803 -0.211 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.589 11.694 -0.914 1.00 0.15 H new ATOM 837 N SER A 57 0.120 13.297 -2.861 1.00 0.13 N ATOM 838 CA SER A 57 -1.105 12.538 -2.940 1.00 0.15 C ATOM 839 C SER A 57 -0.773 11.057 -3.002 1.00 0.15 C ATOM 840 O SER A 57 0.362 10.702 -3.337 1.00 0.18 O ATOM 841 CB SER A 57 -1.902 12.959 -4.173 1.00 0.22 C ATOM 842 OG SER A 57 -1.941 14.372 -4.285 1.00 0.97 O ATOM 0 H SER A 57 0.455 13.658 -3.754 1.00 0.13 H new ATOM 0 HA SER A 57 -1.713 12.731 -2.056 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.451 12.530 -5.068 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.917 12.566 -4.108 1.00 0.22 H new ATOM 0 HG SER A 57 -2.454 14.623 -5.081 1.00 0.97 H new ATOM 848 N PHE A 58 -1.731 10.201 -2.683 1.00 0.16 N ATOM 849 CA PHE A 58 -1.492 8.766 -2.697 1.00 0.16 C ATOM 850 C PHE A 58 -0.963 8.348 -4.066 1.00 0.18 C ATOM 851 O PHE A 58 0.018 7.609 -4.171 1.00 0.19 O ATOM 852 CB PHE A 58 -2.781 8.008 -2.370 1.00 0.18 C ATOM 853 CG PHE A 58 -2.548 6.652 -1.766 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.970 5.636 -2.505 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.910 6.396 -0.453 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.755 4.392 -1.948 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.699 5.154 0.109 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.119 4.152 -0.639 1.00 0.22 C ATOM 0 H PHE A 58 -2.676 10.472 -2.413 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.749 8.521 -1.938 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.378 8.605 -1.681 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.366 7.894 -3.282 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.683 5.818 -3.530 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.363 7.179 0.138 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.302 3.607 -2.536 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.988 4.967 1.133 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.950 3.180 -0.201 1.00 0.22 H new ATOM 868 N GLU A 59 -1.596 8.886 -5.104 1.00 0.20 N ATOM 869 CA GLU A 59 -1.236 8.585 -6.483 1.00 0.22 C ATOM 870 C GLU A 59 0.214 8.952 -6.783 1.00 0.24 C ATOM 871 O GLU A 59 0.932 8.182 -7.423 1.00 0.31 O ATOM 872 CB GLU A 59 -2.163 9.334 -7.436 1.00 0.27 C ATOM 873 CG GLU A 59 -3.633 9.022 -7.228 1.00 0.36 C ATOM 874 CD GLU A 59 -4.529 9.829 -8.140 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.905 10.958 -7.763 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.862 9.340 -9.237 1.00 1.72 O ATOM 0 H GLU A 59 -2.372 9.542 -5.012 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.346 7.510 -6.627 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.007 10.406 -7.313 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.890 9.088 -8.462 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.804 7.960 -7.402 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.901 9.222 -6.190 1.00 0.36 H new ATOM 883 N GLU A 60 0.643 10.121 -6.312 1.00 0.23 N ATOM 884 CA GLU A 60 1.994 10.600 -6.583 1.00 0.24 C ATOM 885 C GLU A 60 3.023 9.647 -6.002 1.00 0.23 C ATOM 886 O GLU A 60 3.961 9.234 -6.685 1.00 0.26 O ATOM 887 CB GLU A 60 2.207 11.997 -5.998 1.00 0.25 C ATOM 888 CG GLU A 60 1.203 13.024 -6.489 1.00 0.29 C ATOM 889 CD GLU A 60 1.177 13.140 -7.997 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.088 13.772 -8.567 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.243 12.597 -8.623 1.00 2.09 O ATOM 0 H GLU A 60 0.077 10.751 -5.743 1.00 0.23 H new ATOM 0 HA GLU A 60 2.118 10.649 -7.665 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.151 11.938 -4.911 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.212 12.336 -6.248 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.209 12.754 -6.132 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.443 13.996 -6.058 1.00 0.29 H new ATOM 898 N ALA A 61 2.833 9.288 -4.742 1.00 0.22 N ATOM 899 CA ALA A 61 3.760 8.407 -4.059 1.00 0.23 C ATOM 900 C ALA A 61 3.717 7.007 -4.654 1.00 0.22 C ATOM 901 O ALA A 61 4.748 6.448 -5.014 1.00 0.26 O ATOM 902 CB ALA A 61 3.453 8.362 -2.570 1.00 0.24 C ATOM 0 H ALA A 61 2.044 9.595 -4.173 1.00 0.22 H new ATOM 0 HA ALA A 61 4.767 8.803 -4.194 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.158 7.696 -2.073 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.542 9.364 -2.150 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.438 7.994 -2.419 1.00 0.24 H new ATOM 908 N ALA A 62 2.515 6.463 -4.790 1.00 0.20 N ATOM 909 CA ALA A 62 2.334 5.084 -5.229 1.00 0.20 C ATOM 910 C ALA A 62 2.953 4.819 -6.602 1.00 0.21 C ATOM 911 O ALA A 62 3.742 3.895 -6.756 1.00 0.24 O ATOM 912 CB ALA A 62 0.860 4.731 -5.235 1.00 0.20 C ATOM 0 H ALA A 62 1.644 6.959 -4.601 1.00 0.20 H new ATOM 0 HA ALA A 62 2.859 4.446 -4.518 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.734 3.700 -5.564 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.455 4.843 -4.229 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.329 5.396 -5.916 1.00 0.20 H new ATOM 918 N SER A 63 2.614 5.643 -7.585 1.00 0.21 N ATOM 919 CA SER A 63 3.097 5.464 -8.954 1.00 0.23 C ATOM 920 C SER A 63 4.619 5.306 -9.029 1.00 0.24 C ATOM 921 O SER A 63 5.141 4.665 -9.944 1.00 0.27 O ATOM 922 CB SER A 63 2.663 6.651 -9.816 1.00 0.26 C ATOM 923 OG SER A 63 1.258 6.835 -9.761 1.00 1.00 O ATOM 0 H SER A 63 2.001 6.449 -7.461 1.00 0.21 H new ATOM 0 HA SER A 63 2.656 4.541 -9.330 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.165 7.556 -9.474 1.00 0.26 H new ATOM 0 HB3 SER A 63 2.971 6.487 -10.849 1.00 0.26 H new ATOM 0 HG SER A 63 1.031 7.387 -8.984 1.00 1.00 H new ATOM 929 N GLN A 64 5.328 5.874 -8.066 1.00 0.24 N ATOM 930 CA GLN A 64 6.779 5.820 -8.061 1.00 0.27 C ATOM 931 C GLN A 64 7.273 4.786 -7.065 1.00 0.26 C ATOM 932 O GLN A 64 8.180 4.004 -7.346 1.00 0.29 O ATOM 933 CB GLN A 64 7.341 7.183 -7.674 1.00 0.31 C ATOM 934 CG GLN A 64 6.708 8.327 -8.436 1.00 0.35 C ATOM 935 CD GLN A 64 7.192 9.686 -7.972 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.191 10.209 -8.467 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.473 10.271 -7.029 1.00 0.35 N ATOM 0 H GLN A 64 4.921 6.378 -7.278 1.00 0.24 H new ATOM 0 HA GLN A 64 7.116 5.544 -9.060 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.192 7.340 -6.606 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.417 7.189 -7.850 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.925 8.213 -9.498 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.625 8.275 -8.325 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.652 9.800 -6.648 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.739 11.193 -6.683 1.00 0.35 H new ATOM 946 N ARG A 65 6.669 4.813 -5.895 1.00 0.26 N ATOM 947 CA ARG A 65 7.153 4.055 -4.754 1.00 0.28 C ATOM 948 C ARG A 65 6.489 2.689 -4.582 1.00 0.27 C ATOM 949 O ARG A 65 7.140 1.747 -4.148 1.00 0.32 O ATOM 950 CB ARG A 65 6.956 4.893 -3.499 1.00 0.33 C ATOM 951 CG ARG A 65 7.597 6.269 -3.607 1.00 0.37 C ATOM 952 CD ARG A 65 9.051 6.159 -4.037 1.00 0.43 C ATOM 953 NE ARG A 65 9.768 7.430 -4.009 1.00 0.58 N ATOM 954 CZ ARG A 65 10.404 7.959 -5.054 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.402 7.340 -6.230 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.058 9.105 -4.920 1.00 0.86 N ATOM 0 H ARG A 65 5.829 5.360 -5.706 1.00 0.26 H new ATOM 0 HA ARG A 65 8.208 3.845 -4.932 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.889 5.007 -3.307 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.379 4.365 -2.644 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.046 6.876 -4.326 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.536 6.779 -2.646 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.561 5.450 -3.385 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.092 5.751 -5.047 1.00 0.43 H new ATOM 0 HE ARG A 65 9.783 7.948 -3.131 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.911 6.453 -6.338 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.891 7.752 -7.024 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.074 9.581 -4.018 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.545 9.511 -5.719 1.00 0.86 H new ATOM 970 N SER A 66 5.201 2.582 -4.887 1.00 0.25 N ATOM 971 CA SER A 66 4.488 1.316 -4.705 1.00 0.25 C ATOM 972 C SER A 66 5.016 0.254 -5.665 1.00 0.23 C ATOM 973 O SER A 66 5.103 0.480 -6.872 1.00 0.24 O ATOM 974 CB SER A 66 2.969 1.478 -4.889 1.00 0.24 C ATOM 975 OG SER A 66 2.604 1.571 -6.253 1.00 0.82 O ATOM 0 H SER A 66 4.632 3.344 -5.257 1.00 0.25 H new ATOM 0 HA SER A 66 4.669 0.994 -3.679 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.457 0.630 -4.434 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.634 2.372 -4.363 1.00 0.24 H new ATOM 0 HG SER A 66 3.172 2.233 -6.699 1.00 0.82 H new ATOM 981 N ASP A 67 5.367 -0.896 -5.112 1.00 0.25 N ATOM 982 CA ASP A 67 5.933 -1.985 -5.891 1.00 0.28 C ATOM 983 C ASP A 67 4.856 -2.925 -6.405 1.00 0.31 C ATOM 984 O ASP A 67 5.152 -3.969 -6.986 1.00 0.48 O ATOM 985 CB ASP A 67 6.950 -2.762 -5.057 1.00 0.39 C ATOM 986 CG ASP A 67 8.016 -1.866 -4.469 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.344 -0.845 -5.095 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.552 -2.194 -3.401 1.00 2.28 O ATOM 0 H ASP A 67 5.268 -1.100 -4.117 1.00 0.25 H new ATOM 0 HA ASP A 67 6.435 -1.546 -6.753 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.433 -3.284 -4.252 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.421 -3.523 -5.679 1.00 0.39 H new ATOM 993 N CYS A 68 3.609 -2.564 -6.177 1.00 0.24 N ATOM 994 CA CYS A 68 2.494 -3.321 -6.719 1.00 0.26 C ATOM 995 C CYS A 68 2.150 -2.803 -8.106 1.00 0.27 C ATOM 996 O CYS A 68 2.643 -1.753 -8.518 1.00 0.38 O ATOM 997 CB CYS A 68 1.277 -3.215 -5.800 1.00 0.29 C ATOM 998 SG CYS A 68 -0.098 -4.303 -6.236 1.00 1.52 S ATOM 0 H CYS A 68 3.341 -1.752 -5.621 1.00 0.24 H new ATOM 0 HA CYS A 68 2.781 -4.370 -6.789 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.589 -3.438 -4.780 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.923 -2.184 -5.807 1.00 0.29 H new ATOM 0 HG CYS A 68 -1.139 -3.994 -5.521 1.00 1.52 H new ATOM 1004 N GLY A 69 1.291 -3.525 -8.809 1.00 0.26 N ATOM 1005 CA GLY A 69 0.892 -3.123 -10.148 1.00 0.25 C ATOM 1006 C GLY A 69 0.154 -1.801 -10.146 1.00 0.22 C ATOM 1007 O GLY A 69 0.059 -1.122 -11.171 1.00 0.25 O ATOM 0 H GLY A 69 0.859 -4.387 -8.477 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.776 -3.044 -10.781 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.255 -3.893 -10.583 1.00 0.25 H new ATOM 1011 N SER A 70 -0.351 -1.428 -8.979 1.00 0.21 N ATOM 1012 CA SER A 70 -1.078 -0.187 -8.812 1.00 0.24 C ATOM 1013 C SER A 70 -0.189 1.049 -9.021 1.00 0.22 C ATOM 1014 O SER A 70 -0.697 2.165 -9.053 1.00 0.25 O ATOM 1015 CB SER A 70 -1.720 -0.164 -7.425 1.00 0.31 C ATOM 1016 OG SER A 70 -0.750 -0.369 -6.406 1.00 0.32 O ATOM 0 H SER A 70 -0.266 -1.979 -8.125 1.00 0.21 H new ATOM 0 HA SER A 70 -1.851 -0.143 -9.579 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.219 0.792 -7.268 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.486 -0.937 -7.363 1.00 0.31 H new ATOM 0 HG SER A 70 -1.187 -0.348 -5.529 1.00 0.32 H new ATOM 1022 N TYR A 71 1.128 0.860 -9.181 1.00 0.20 N ATOM 1023 CA TYR A 71 2.027 1.985 -9.468 1.00 0.20 C ATOM 1024 C TYR A 71 1.620 2.649 -10.785 1.00 0.22 C ATOM 1025 O TYR A 71 1.901 3.817 -11.020 1.00 0.29 O ATOM 1026 CB TYR A 71 3.507 1.538 -9.543 1.00 0.21 C ATOM 1027 CG TYR A 71 3.898 0.827 -10.826 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.605 -0.515 -11.025 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.581 1.503 -11.829 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.978 -1.163 -12.188 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.953 0.865 -12.995 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.650 -0.468 -13.169 1.00 0.43 C ATOM 1033 OH TYR A 71 5.030 -1.110 -14.326 1.00 0.54 O ATOM 0 H TYR A 71 1.589 -0.048 -9.118 1.00 0.20 H new ATOM 0 HA TYR A 71 1.938 2.698 -8.648 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.142 2.416 -9.423 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.714 0.877 -8.701 1.00 0.21 H new ATOM 0 HD1 TYR A 71 3.077 -1.062 -10.258 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.825 2.546 -11.694 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.744 -2.208 -12.326 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.479 1.408 -13.767 1.00 0.44 H new ATOM 0 HH TYR A 71 5.493 -0.477 -14.914 1.00 0.54 H new ATOM 1043 N ALA A 72 0.934 1.895 -11.633 1.00 0.24 N ATOM 1044 CA ALA A 72 0.483 2.412 -12.915 1.00 0.30 C ATOM 1045 C ALA A 72 -0.896 3.053 -12.793 1.00 0.36 C ATOM 1046 O ALA A 72 -1.445 3.564 -13.767 1.00 0.49 O ATOM 1047 CB ALA A 72 0.464 1.296 -13.945 1.00 0.38 C ATOM 0 H ALA A 72 0.678 0.924 -11.455 1.00 0.24 H new ATOM 0 HA ALA A 72 1.181 3.183 -13.241 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.125 1.691 -14.903 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.468 0.886 -14.056 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.215 0.509 -13.616 1.00 0.38 H new ATOM 1053 N SER A 73 -1.460 3.013 -11.593 1.00 0.32 N ATOM 1054 CA SER A 73 -2.781 3.579 -11.349 1.00 0.44 C ATOM 1055 C SER A 73 -2.745 4.574 -10.188 1.00 0.49 C ATOM 1056 O SER A 73 -3.783 5.062 -9.741 1.00 0.71 O ATOM 1057 CB SER A 73 -3.772 2.456 -11.048 1.00 0.47 C ATOM 1058 OG SER A 73 -3.721 1.453 -12.049 1.00 0.62 O ATOM 0 H SER A 73 -1.023 2.594 -10.772 1.00 0.32 H new ATOM 0 HA SER A 73 -3.100 4.115 -12.243 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.546 2.017 -10.076 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.781 2.863 -10.987 1.00 0.47 H new ATOM 0 HG SER A 73 -4.362 0.744 -11.834 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.545 4.868 -9.700 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.407 5.762 -8.567 1.00 0.54 C ATOM 1066 C GLY A 74 -1.835 5.110 -7.268 1.00 0.45 C ATOM 1067 O GLY A 74 -2.321 5.777 -6.357 1.00 0.49 O ATOM 0 H GLY A 74 -0.667 4.503 -10.069 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.369 6.084 -8.485 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.006 6.657 -8.737 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.662 3.797 -7.186 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.053 3.062 -5.998 1.00 0.32 C ATOM 1073 C GLY A 75 -3.511 2.671 -6.035 1.00 0.20 C ATOM 1074 O GLY A 75 -3.931 1.716 -5.375 1.00 0.21 O ATOM 0 H GLY A 75 -1.255 3.225 -7.926 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.439 2.166 -5.906 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.862 3.671 -5.114 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.271 3.404 -6.833 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.708 3.219 -6.942 1.00 0.39 C ATOM 1080 C ASP A 76 -6.049 1.865 -7.511 1.00 0.32 C ATOM 1081 O ASP A 76 -5.452 1.420 -8.494 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.310 4.279 -7.852 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.823 4.197 -7.958 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.515 4.828 -7.126 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.326 3.480 -8.846 1.00 0.80 O ATOM 0 H ASP A 76 -3.905 4.148 -7.427 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.118 3.302 -5.936 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -6.032 5.266 -7.481 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -5.878 4.180 -8.848 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.004 1.213 -6.893 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.581 0.016 -7.450 1.00 0.30 C ATOM 1092 C LEU A 77 -9.047 0.249 -7.725 1.00 0.32 C ATOM 1093 O LEU A 77 -9.663 1.148 -7.157 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.399 -1.175 -6.518 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.303 -2.172 -6.916 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -4.999 -1.457 -7.253 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.088 -3.181 -5.798 1.00 0.94 C ATOM 0 H LEU A 77 -7.400 1.495 -5.996 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.066 -0.216 -8.382 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.177 -0.800 -5.519 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.346 -1.711 -6.455 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.630 -2.700 -7.812 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.243 -2.191 -7.531 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.164 -0.773 -8.085 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.657 -0.895 -6.384 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.308 -3.885 -6.088 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.786 -2.659 -4.890 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.016 -3.723 -5.613 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.578 -0.553 -8.612 1.00 0.37 N ATOM 1110 CA GLY A 78 -10.975 -0.444 -8.997 1.00 0.39 C ATOM 1111 C GLY A 78 -11.913 -1.065 -7.980 1.00 0.34 C ATOM 1112 O GLY A 78 -11.620 -1.087 -6.787 1.00 0.44 O ATOM 0 H GLY A 78 -9.066 -1.296 -9.088 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.231 0.608 -9.126 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.120 -0.929 -9.962 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.047 -1.567 -8.448 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.039 -2.160 -7.561 1.00 0.46 C ATOM 1118 C PHE A 79 -13.780 -3.646 -7.339 1.00 0.45 C ATOM 1119 O PHE A 79 -13.339 -4.359 -8.242 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.444 -1.949 -8.121 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.846 -0.507 -8.157 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.376 0.102 -7.033 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.686 0.241 -9.310 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.739 1.433 -7.059 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.045 1.570 -9.342 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.574 2.167 -8.216 1.00 3.85 C ATOM 0 H PHE A 79 -13.303 -1.576 -9.435 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.958 -1.660 -6.596 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.493 -2.360 -9.129 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.159 -2.505 -7.515 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.507 -0.470 -6.126 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.275 -0.223 -10.195 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -17.151 1.899 -6.176 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -15.913 2.144 -10.247 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.859 3.208 -8.240 1.00 3.85 H new ATOM 1136 N PHE A 80 -14.072 -4.093 -6.126 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.849 -5.468 -5.705 1.00 0.45 C ATOM 1138 C PHE A 80 -14.749 -5.769 -4.520 1.00 0.46 C ATOM 1139 O PHE A 80 -15.135 -4.861 -3.796 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.377 -5.684 -5.320 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.735 -4.499 -4.640 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -12.111 -4.147 -3.356 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.755 -3.741 -5.270 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.530 -3.069 -2.720 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.172 -2.660 -4.625 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.538 -2.306 -3.421 1.00 1.31 C ATOM 0 H PHE A 80 -14.475 -3.503 -5.398 1.00 0.40 H new ATOM 0 HA PHE A 80 -14.084 -6.141 -6.529 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.309 -6.548 -4.660 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.809 -5.924 -6.219 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.868 -4.723 -2.845 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.444 -3.996 -6.272 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.817 -2.805 -1.713 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.399 -2.099 -5.129 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.094 -1.439 -2.954 1.00 1.31 H new ATOM 1156 N SER A 81 -15.102 -7.024 -4.327 1.00 0.50 N ATOM 1157 CA SER A 81 -15.934 -7.389 -3.202 1.00 0.55 C ATOM 1158 C SER A 81 -15.061 -7.538 -1.964 1.00 0.52 C ATOM 1159 O SER A 81 -13.985 -8.138 -2.022 1.00 0.54 O ATOM 1160 CB SER A 81 -16.692 -8.684 -3.497 1.00 0.69 C ATOM 1161 OG SER A 81 -17.454 -8.570 -4.691 1.00 1.17 O ATOM 0 H SER A 81 -14.828 -7.800 -4.929 1.00 0.50 H new ATOM 0 HA SER A 81 -16.672 -6.607 -3.024 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.986 -9.509 -3.590 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.352 -8.921 -2.662 1.00 0.69 H new ATOM 0 HG SER A 81 -18.409 -8.620 -4.476 1.00 1.17 H new ATOM 1167 N SER A 82 -15.510 -6.952 -0.862 1.00 0.59 N ATOM 1168 CA SER A 82 -14.764 -6.974 0.388 1.00 0.63 C ATOM 1169 C SER A 82 -14.320 -8.391 0.751 1.00 0.59 C ATOM 1170 O SER A 82 -15.143 -9.298 0.888 1.00 0.63 O ATOM 1171 CB SER A 82 -15.620 -6.373 1.501 1.00 0.77 C ATOM 1172 OG SER A 82 -16.960 -6.830 1.407 1.00 1.19 O ATOM 0 H SER A 82 -16.397 -6.451 -0.810 1.00 0.59 H new ATOM 0 HA SER A 82 -13.861 -6.376 0.264 1.00 0.63 H new ATOM 0 HB2 SER A 82 -15.205 -6.644 2.472 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.596 -5.285 1.437 1.00 0.77 H new ATOM 0 HG SER A 82 -16.966 -7.778 1.158 1.00 1.19 H new ATOM 1178 N GLY A 83 -13.014 -8.578 0.885 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.480 -9.886 1.197 1.00 0.62 C ATOM 1180 C GLY A 83 -11.635 -10.462 0.077 1.00 0.64 C ATOM 1181 O GLY A 83 -10.846 -11.377 0.302 1.00 0.79 O ATOM 0 H GLY A 83 -12.314 -7.843 0.782 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.877 -9.820 2.103 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.303 -10.567 1.411 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.769 -9.912 -1.128 1.00 0.58 N ATOM 1186 CA GLU A 84 -11.050 -10.438 -2.289 1.00 0.62 C ATOM 1187 C GLU A 84 -9.629 -9.884 -2.365 1.00 0.58 C ATOM 1188 O GLU A 84 -9.180 -9.448 -3.427 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.798 -10.116 -3.581 1.00 0.73 C ATOM 1190 CG GLU A 84 -13.184 -10.721 -3.632 1.00 1.17 C ATOM 1191 CD GLU A 84 -13.906 -10.445 -4.935 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.916 -9.283 -5.392 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -14.464 -11.400 -5.516 1.00 1.43 O ATOM 0 H GLU A 84 -12.364 -9.108 -1.327 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.991 -11.520 -2.170 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.876 -9.034 -3.688 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.218 -10.479 -4.429 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -13.109 -11.799 -3.486 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -13.776 -10.328 -2.805 1.00 1.17 H new ATOM 1200 N MET A 85 -8.926 -9.901 -1.242 1.00 0.47 N ATOM 1201 CA MET A 85 -7.564 -9.395 -1.184 1.00 0.44 C ATOM 1202 C MET A 85 -6.685 -10.325 -0.360 1.00 0.47 C ATOM 1203 O MET A 85 -6.567 -11.513 -0.655 1.00 0.73 O ATOM 1204 CB MET A 85 -7.538 -7.990 -0.576 1.00 0.39 C ATOM 1205 CG MET A 85 -8.199 -6.929 -1.429 1.00 0.37 C ATOM 1206 SD MET A 85 -7.351 -6.689 -2.998 1.00 0.39 S ATOM 1207 CE MET A 85 -8.337 -5.381 -3.713 1.00 0.39 C ATOM 0 H MET A 85 -9.279 -10.262 -0.356 1.00 0.47 H new ATOM 0 HA MET A 85 -7.176 -9.348 -2.202 1.00 0.44 H new ATOM 0 HB2 MET A 85 -8.032 -8.018 0.395 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.502 -7.703 -0.398 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.235 -7.211 -1.618 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.220 -5.987 -0.882 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.426 -5.539 -4.788 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.329 -5.385 -3.262 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.858 -4.420 -3.526 1.00 0.39 H new ATOM 1217 N MET A 86 -6.078 -9.773 0.677 1.00 0.33 N ATOM 1218 CA MET A 86 -5.261 -10.536 1.600 1.00 0.35 C ATOM 1219 C MET A 86 -5.786 -10.301 3.000 1.00 0.40 C ATOM 1220 O MET A 86 -6.319 -9.226 3.267 1.00 0.76 O ATOM 1221 CB MET A 86 -3.796 -10.102 1.511 1.00 0.33 C ATOM 1222 CG MET A 86 -3.214 -10.208 0.110 1.00 0.43 C ATOM 1223 SD MET A 86 -1.573 -9.474 -0.027 1.00 1.16 S ATOM 1224 CE MET A 86 -1.258 -9.710 -1.776 1.00 1.39 C ATOM 0 H MET A 86 -6.139 -8.780 0.902 1.00 0.33 H new ATOM 0 HA MET A 86 -5.312 -11.595 1.347 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.710 -9.071 1.854 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.202 -10.715 2.189 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.162 -11.258 -0.177 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.886 -9.718 -0.595 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.276 -9.308 -2.026 1.00 1.39 H new ATOM 0 HE2 MET A 86 -1.285 -10.774 -2.010 1.00 1.39 H new ATOM 0 HE3 MET A 86 -2.021 -9.192 -2.356 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.652 -11.276 3.879 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.244 -11.177 5.210 1.00 0.32 C ATOM 1236 C LYS A 87 -5.817 -9.895 5.949 1.00 0.27 C ATOM 1237 O LYS A 87 -6.681 -9.137 6.388 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.932 -12.423 6.046 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.621 -12.443 7.405 1.00 0.97 C ATOM 1240 CD LYS A 87 -8.133 -12.268 7.287 1.00 1.46 C ATOM 1241 CE LYS A 87 -8.771 -13.365 6.447 1.00 2.00 C ATOM 1242 NZ LYS A 87 -10.237 -13.170 6.296 1.00 2.37 N ATOM 0 H LYS A 87 -5.143 -12.142 3.702 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.324 -11.118 5.071 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.230 -13.309 5.485 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.854 -12.488 6.195 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.404 -13.386 7.907 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -6.213 -11.648 8.029 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -8.577 -12.270 8.283 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -8.352 -11.297 6.842 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -8.305 -13.385 5.462 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -8.580 -14.333 6.910 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -10.632 -13.939 5.717 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -10.687 -13.177 7.234 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -10.420 -12.258 5.831 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.502 -9.597 6.071 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.053 -8.421 6.824 1.00 0.25 C ATOM 1258 C PRO A 88 -4.281 -7.121 6.052 1.00 0.22 C ATOM 1259 O PRO A 88 -4.396 -6.044 6.636 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.563 -8.682 7.026 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.159 -9.512 5.857 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.362 -10.340 5.484 1.00 0.27 C ATOM 0 HA PRO A 88 -4.602 -8.292 7.757 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.000 -7.750 7.062 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.377 -9.204 7.965 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.848 -8.883 5.023 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.312 -10.150 6.108 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.462 -10.435 4.403 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.293 -11.350 5.888 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.359 -7.248 4.737 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.587 -6.117 3.848 1.00 0.17 C ATOM 1272 C PHE A 89 -6.044 -5.673 3.937 1.00 0.18 C ATOM 1273 O PHE A 89 -6.335 -4.520 4.239 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.238 -6.549 2.416 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.452 -5.518 1.338 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.699 -5.354 0.754 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.399 -4.744 0.880 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.893 -4.434 -0.258 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.587 -3.827 -0.139 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.838 -3.671 -0.708 1.00 0.19 C ATOM 0 H PHE A 89 -4.266 -8.141 4.253 1.00 0.19 H new ATOM 0 HA PHE A 89 -3.959 -5.274 4.138 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.192 -6.853 2.396 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.831 -7.430 2.170 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.530 -5.954 1.095 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.421 -4.857 1.323 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.872 -4.313 -0.697 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.756 -3.233 -0.490 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.987 -2.954 -1.502 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.947 -6.616 3.697 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.381 -6.353 3.715 1.00 0.24 C ATOM 1292 C GLU A 90 -8.823 -5.960 5.118 1.00 0.25 C ATOM 1293 O GLU A 90 -9.709 -5.121 5.286 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.136 -7.595 3.230 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.538 -7.318 2.705 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.586 -7.223 3.799 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.743 -8.200 4.560 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.279 -6.190 3.874 1.00 1.78 O ATOM 0 H GLU A 90 -6.706 -7.584 3.485 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.608 -5.524 3.045 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.555 -8.073 2.442 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.204 -8.307 4.052 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.528 -6.386 2.140 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.820 -8.109 2.010 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.179 -6.555 6.119 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.424 -6.199 7.517 1.00 0.29 C ATOM 1307 C ASP A 91 -8.264 -4.699 7.728 1.00 0.25 C ATOM 1308 O ASP A 91 -8.997 -4.092 8.505 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.474 -6.958 8.450 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.545 -6.467 9.887 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.573 -6.717 10.553 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.573 -5.837 10.360 1.00 0.54 O ATOM 0 H ASP A 91 -7.482 -7.288 5.989 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.449 -6.482 7.756 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.715 -8.021 8.421 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.452 -6.853 8.085 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.315 -4.103 7.019 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.090 -2.670 7.112 1.00 0.19 C ATOM 1319 C ALA A 92 -8.095 -1.904 6.260 1.00 0.18 C ATOM 1320 O ALA A 92 -8.557 -0.838 6.653 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.671 -2.328 6.698 1.00 0.22 C ATOM 0 H ALA A 92 -6.691 -4.589 6.375 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.230 -2.371 8.151 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.519 -1.251 6.773 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -4.967 -2.840 7.354 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.506 -2.646 5.669 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.450 -2.467 5.109 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.372 -1.814 4.179 1.00 0.19 C ATOM 1329 C VAL A 93 -10.754 -1.661 4.808 1.00 0.19 C ATOM 1330 O VAL A 93 -11.406 -0.627 4.673 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.517 -2.604 2.859 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.269 -1.783 1.826 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.160 -3.030 2.321 1.00 0.21 C ATOM 0 H VAL A 93 -8.113 -3.377 4.795 1.00 0.18 H new ATOM 0 HA VAL A 93 -8.950 -0.834 3.958 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.091 -3.506 3.069 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.361 -2.356 0.903 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.262 -1.543 2.205 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.724 -0.860 1.627 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.295 -3.584 1.392 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.550 -2.147 2.132 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.661 -3.665 3.053 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.191 -2.701 5.500 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.475 -2.679 6.186 1.00 0.27 C ATOM 1345 C ARG A 94 -12.382 -1.852 7.465 1.00 0.25 C ATOM 1346 O ARG A 94 -13.395 -1.514 8.074 1.00 0.32 O ATOM 1347 CB ARG A 94 -12.896 -4.103 6.532 1.00 0.41 C ATOM 1348 CG ARG A 94 -11.997 -4.743 7.571 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.265 -6.223 7.724 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.401 -6.811 8.744 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.243 -8.122 8.923 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.883 -8.986 8.141 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.430 -8.566 9.871 1.00 1.70 N ATOM 0 H ARG A 94 -10.674 -3.574 5.602 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.216 -2.227 5.526 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -13.922 -4.095 6.901 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -12.888 -4.710 5.627 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -10.955 -4.591 7.290 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.144 -4.248 8.531 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.310 -6.381 7.993 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.102 -6.726 6.771 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.887 -6.179 9.357 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.497 -8.646 7.401 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.760 -9.989 8.281 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.927 -7.905 10.462 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.308 -9.569 10.009 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.159 -1.526 7.861 1.00 0.23 N ATOM 1368 CA ALA A 95 -10.924 -0.837 9.119 1.00 0.25 C ATOM 1369 C ALA A 95 -10.774 0.668 8.908 1.00 0.26 C ATOM 1370 O ALA A 95 -10.189 1.368 9.736 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.700 -1.417 9.811 1.00 0.26 C ATOM 0 H ALA A 95 -10.314 -1.729 7.327 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.791 -0.989 9.761 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.532 -0.894 10.753 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.862 -2.477 10.008 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.828 -1.296 9.169 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.292 1.149 7.787 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.322 2.573 7.493 1.00 0.19 C ATOM 1379 C LEU A 96 -12.490 2.906 6.578 1.00 0.21 C ATOM 1380 O LEU A 96 -13.003 2.043 5.860 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.998 3.040 6.870 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.271 2.024 5.994 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.801 2.059 4.578 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.780 2.288 6.005 1.00 0.28 C ATOM 0 H LEU A 96 -11.702 0.565 7.058 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.456 3.106 8.434 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.196 3.929 6.271 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.327 3.340 7.675 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.453 1.030 6.403 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.268 1.327 3.972 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.865 1.822 4.582 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.653 3.054 4.158 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.276 1.555 5.375 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.585 3.290 5.622 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.404 2.210 7.025 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.914 4.156 6.629 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.011 4.631 5.813 1.00 0.31 C ATOM 1398 C LYS A 97 -13.445 5.354 4.593 1.00 0.28 C ATOM 1399 O LYS A 97 -12.228 5.496 4.466 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.910 5.561 6.646 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.246 5.907 6.005 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.089 4.666 5.766 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.424 5.016 5.135 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.255 3.809 4.884 1.00 1.61 N ATOM 0 H LYS A 97 -12.507 4.867 7.237 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.619 3.793 5.471 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.098 5.091 7.611 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.368 6.486 6.842 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.790 6.599 6.648 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.074 6.419 5.058 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.548 3.976 5.118 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.256 4.150 6.712 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.966 5.700 5.789 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.254 5.541 4.195 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.158 4.093 4.453 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.750 3.168 4.240 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.439 3.321 5.784 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.315 5.783 3.692 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.894 6.518 2.510 1.00 0.32 C ATOM 1420 C ILE A 98 -13.115 7.770 2.901 1.00 0.32 C ATOM 1421 O ILE A 98 -13.642 8.659 3.569 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.109 6.914 1.649 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.903 5.664 1.264 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.661 7.674 0.405 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.170 5.955 0.493 1.00 0.90 C ATOM 0 H ILE A 98 -15.322 5.634 3.758 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.246 5.864 1.927 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.754 7.573 2.231 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.267 5.012 0.665 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.159 5.115 2.170 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.533 7.945 -0.190 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.130 8.578 0.703 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.999 7.043 -0.188 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.676 5.019 0.257 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.828 6.581 1.097 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.922 6.476 -0.432 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.858 7.823 2.494 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.024 8.962 2.810 1.00 0.32 C ATOM 1439 C GLY A 99 -10.162 8.735 4.035 1.00 0.32 C ATOM 1440 O GLY A 99 -9.538 9.669 4.541 1.00 0.46 O ATOM 0 H GLY A 99 -11.398 7.094 1.948 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.384 9.186 1.957 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.656 9.835 2.972 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.138 7.503 4.530 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.292 7.157 5.662 1.00 0.19 C ATOM 1446 C ASP A 100 -8.169 6.238 5.210 1.00 0.15 C ATOM 1447 O ASP A 100 -8.374 5.371 4.359 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.106 6.482 6.769 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.055 7.435 7.473 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.587 8.258 8.288 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.275 7.381 7.200 1.00 0.37 O ATOM 0 H ASP A 100 -10.694 6.730 4.165 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.866 8.077 6.063 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.678 5.659 6.341 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.424 6.050 7.502 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.984 6.441 5.771 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.809 5.667 5.395 1.00 0.16 C ATOM 1458 C ILE A 101 -5.386 4.764 6.552 1.00 0.16 C ATOM 1459 O ILE A 101 -5.605 5.093 7.717 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.630 6.594 5.022 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.120 7.760 4.155 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.546 5.810 4.290 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.060 8.804 3.885 1.00 0.21 C ATOM 0 H ILE A 101 -6.811 7.140 6.493 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.070 5.062 4.527 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.205 6.998 5.941 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.481 7.368 3.204 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.969 8.235 4.647 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.723 6.478 4.035 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.178 5.011 4.933 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.961 5.380 3.378 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.480 9.597 3.266 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.715 9.225 4.829 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.220 8.344 3.365 1.00 0.21 H new ATOM 1475 N SER A 102 -4.797 3.626 6.230 1.00 0.16 N ATOM 1476 CA SER A 102 -4.351 2.681 7.238 1.00 0.19 C ATOM 1477 C SER A 102 -2.881 2.900 7.561 1.00 0.18 C ATOM 1478 O SER A 102 -2.088 3.224 6.674 1.00 0.22 O ATOM 1479 CB SER A 102 -4.548 1.250 6.733 1.00 0.25 C ATOM 1480 OG SER A 102 -3.729 0.992 5.603 1.00 0.92 O ATOM 0 H SER A 102 -4.615 3.332 5.270 1.00 0.16 H new ATOM 0 HA SER A 102 -4.941 2.837 8.141 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.309 0.544 7.528 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.595 1.094 6.471 1.00 0.25 H new ATOM 0 HG SER A 102 -3.119 0.252 5.804 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.494 2.734 8.834 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.088 2.747 9.231 1.00 0.23 C ATOM 1488 C PRO A 103 -0.347 1.544 8.653 1.00 0.20 C ATOM 1489 O PRO A 103 -0.982 0.592 8.191 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.138 2.673 10.759 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.464 2.071 11.072 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.394 2.529 9.983 1.00 0.28 C ATOM 0 HA PRO A 103 -0.557 3.627 8.869 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.325 2.063 11.151 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.038 3.662 11.206 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.402 0.983 11.100 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.819 2.395 12.050 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.159 1.783 9.767 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.913 3.448 10.257 1.00 0.28 H new ATOM 1500 N ILE A 104 0.984 1.606 8.677 1.00 0.17 N ATOM 1501 CA ILE A 104 1.844 0.540 8.142 1.00 0.15 C ATOM 1502 C ILE A 104 1.307 -0.859 8.452 1.00 0.14 C ATOM 1503 O ILE A 104 1.248 -1.272 9.613 1.00 0.20 O ATOM 1504 CB ILE A 104 3.276 0.634 8.713 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.783 2.079 8.675 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.220 -0.281 7.940 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.773 2.699 7.295 1.00 0.17 C ATOM 0 H ILE A 104 1.500 2.394 9.067 1.00 0.17 H new ATOM 0 HA ILE A 104 1.854 0.688 7.062 1.00 0.15 H new ATOM 0 HB ILE A 104 3.250 0.308 9.753 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.168 2.686 9.339 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.800 2.107 9.067 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.225 -0.202 8.356 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.874 -1.312 8.020 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.237 0.016 6.891 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.146 3.722 7.353 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.411 2.117 6.630 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.755 2.706 6.906 1.00 0.17 H new ATOM 1519 N VAL A 105 0.903 -1.570 7.408 1.00 0.13 N ATOM 1520 CA VAL A 105 0.457 -2.952 7.533 1.00 0.15 C ATOM 1521 C VAL A 105 1.320 -3.864 6.661 1.00 0.15 C ATOM 1522 O VAL A 105 1.426 -3.664 5.450 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.048 -3.106 7.161 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.384 -2.344 5.892 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.435 -4.572 7.004 1.00 1.04 C ATOM 0 H VAL A 105 0.875 -1.208 6.455 1.00 0.13 H new ATOM 0 HA VAL A 105 0.568 -3.247 8.576 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.624 -2.682 7.983 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.441 -2.472 5.660 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.170 -1.285 6.036 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.783 -2.727 5.068 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.491 -4.644 6.745 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.836 -5.024 6.214 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.255 -5.098 7.941 1.00 1.04 H new ATOM 1535 N GLN A 106 1.960 -4.845 7.282 1.00 0.18 N ATOM 1536 CA GLN A 106 2.782 -5.794 6.551 1.00 0.20 C ATOM 1537 C GLN A 106 1.925 -6.930 6.007 1.00 0.23 C ATOM 1538 O GLN A 106 0.838 -7.204 6.514 1.00 0.29 O ATOM 1539 CB GLN A 106 3.887 -6.365 7.441 1.00 0.24 C ATOM 1540 CG GLN A 106 4.924 -5.345 7.876 1.00 0.25 C ATOM 1541 CD GLN A 106 6.087 -5.977 8.623 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.070 -6.071 9.849 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.100 -6.428 7.892 1.00 0.28 N ATOM 0 H GLN A 106 1.925 -5.003 8.289 1.00 0.18 H new ATOM 0 HA GLN A 106 3.245 -5.262 5.720 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.432 -6.806 8.328 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.389 -7.171 6.906 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.302 -4.820 6.999 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.450 -4.599 8.514 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.079 -6.332 6.877 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.899 -6.870 8.346 1.00 0.28 H new ATOM 1552 N THR A 107 2.418 -7.569 4.965 1.00 0.22 N ATOM 1553 CA THR A 107 1.735 -8.686 4.343 1.00 0.27 C ATOM 1554 C THR A 107 2.692 -9.859 4.172 1.00 0.34 C ATOM 1555 O THR A 107 3.822 -9.816 4.670 1.00 0.37 O ATOM 1556 CB THR A 107 1.168 -8.283 2.972 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.112 -7.440 2.294 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.165 -7.561 3.115 1.00 0.27 C ATOM 0 H THR A 107 3.306 -7.328 4.525 1.00 0.22 H new ATOM 0 HA THR A 107 0.911 -8.983 4.992 1.00 0.27 H new ATOM 0 HB THR A 107 0.997 -9.189 2.390 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.692 -6.579 2.086 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.539 -7.289 2.128 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.883 -8.217 3.608 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.028 -6.659 3.712 1.00 0.27 H new ATOM 1566 N ASP A 108 2.251 -10.899 3.478 1.00 0.40 N ATOM 1567 CA ASP A 108 3.107 -12.050 3.211 1.00 0.49 C ATOM 1568 C ASP A 108 4.334 -11.634 2.404 1.00 0.45 C ATOM 1569 O ASP A 108 5.437 -12.139 2.633 1.00 0.53 O ATOM 1570 CB ASP A 108 2.336 -13.166 2.481 1.00 0.60 C ATOM 1571 CG ASP A 108 1.838 -12.765 1.103 1.00 1.37 C ATOM 1572 OD1 ASP A 108 2.647 -12.772 0.148 1.00 2.16 O ATOM 1573 OD2 ASP A 108 0.643 -12.441 0.962 1.00 1.67 O ATOM 0 H ASP A 108 1.310 -10.971 3.091 1.00 0.40 H new ATOM 0 HA ASP A 108 3.439 -12.445 4.171 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.982 -14.038 2.384 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.485 -13.466 3.092 1.00 0.60 H new ATOM 1578 N SER A 109 4.156 -10.690 1.487 1.00 0.39 N ATOM 1579 CA SER A 109 5.254 -10.250 0.649 1.00 0.43 C ATOM 1580 C SER A 109 5.974 -9.063 1.284 1.00 0.53 C ATOM 1581 O SER A 109 7.135 -9.180 1.657 1.00 1.09 O ATOM 1582 CB SER A 109 4.739 -9.880 -0.746 1.00 0.47 C ATOM 1583 OG SER A 109 5.807 -9.608 -1.638 1.00 0.60 O ATOM 0 H SER A 109 3.268 -10.221 1.309 1.00 0.39 H new ATOM 0 HA SER A 109 5.966 -11.069 0.553 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.133 -10.696 -1.140 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.090 -9.007 -0.676 1.00 0.47 H new ATOM 0 HG SER A 109 6.575 -10.174 -1.411 1.00 0.60 H new ATOM 1589 N GLY A 110 5.282 -7.946 1.490 1.00 0.22 N ATOM 1590 CA GLY A 110 5.964 -6.774 1.982 1.00 0.19 C ATOM 1591 C GLY A 110 5.086 -5.865 2.809 1.00 0.16 C ATOM 1592 O GLY A 110 4.378 -6.312 3.707 1.00 0.24 O ATOM 0 H GLY A 110 4.281 -7.837 1.327 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.817 -7.087 2.584 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.359 -6.212 1.136 1.00 0.19 H new ATOM 1596 N LEU A 111 5.124 -4.591 2.478 1.00 0.12 N ATOM 1597 CA LEU A 111 4.485 -3.548 3.277 1.00 0.11 C ATOM 1598 C LEU A 111 3.375 -2.858 2.502 1.00 0.11 C ATOM 1599 O LEU A 111 3.445 -2.741 1.280 1.00 0.13 O ATOM 1600 CB LEU A 111 5.523 -2.512 3.699 1.00 0.12 C ATOM 1601 CG LEU A 111 6.137 -2.704 5.085 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.778 -4.077 5.216 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.157 -1.613 5.345 1.00 0.19 C ATOM 0 H LEU A 111 5.599 -4.241 1.646 1.00 0.12 H new ATOM 0 HA LEU A 111 4.049 -4.021 4.157 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.328 -2.513 2.964 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.059 -1.526 3.662 1.00 0.12 H new ATOM 0 HG LEU A 111 5.343 -2.638 5.829 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.206 -4.185 6.212 1.00 0.15 H new ATOM 0 HD12 LEU A 111 6.023 -4.847 5.060 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.565 -4.184 4.469 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.594 -1.752 6.334 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.943 -1.662 4.591 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.669 -0.640 5.297 1.00 0.19 H new ATOM 1615 N HIS A 112 2.350 -2.404 3.213 1.00 0.11 N ATOM 1616 CA HIS A 112 1.229 -1.720 2.580 1.00 0.12 C ATOM 1617 C HIS A 112 0.675 -0.597 3.441 1.00 0.14 C ATOM 1618 O HIS A 112 0.794 -0.613 4.666 1.00 0.22 O ATOM 1619 CB HIS A 112 0.085 -2.694 2.293 1.00 0.14 C ATOM 1620 CG HIS A 112 0.359 -3.673 1.204 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.888 -4.912 1.246 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 0.045 -3.434 -0.115 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.877 -5.402 -0.033 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.363 -4.495 -0.837 1.00 0.21 N flip ATOM 0 H HIS A 112 2.272 -2.497 4.226 1.00 0.11 H new ATOM 0 HA HIS A 112 1.621 -1.302 1.653 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.145 -3.242 3.207 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.805 -2.121 2.033 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.392 -2.524 -0.499 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.233 -6.376 -0.334 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.233 -4.594 -1.844 1.00 0.21 H new ATOM 1633 N ILE A 113 0.111 0.390 2.767 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.839 1.313 3.360 1.00 0.13 C ATOM 1635 C ILE A 113 -2.015 1.436 2.403 1.00 0.12 C ATOM 1636 O ILE A 113 -1.815 1.502 1.187 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.238 2.710 3.616 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.519 3.190 2.377 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.673 2.679 4.834 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.508 4.685 2.196 1.00 0.17 C ATOM 0 H ILE A 113 0.302 0.575 1.782 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.141 0.922 4.332 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.046 3.413 3.818 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.552 2.849 2.440 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.083 2.724 1.494 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.090 3.672 5.002 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.100 2.373 5.709 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.483 1.970 4.665 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.065 4.947 1.296 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.521 5.032 2.100 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.972 5.160 3.061 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.227 1.410 2.923 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.401 1.450 2.071 1.00 0.11 C ATOM 1654 C ILE A 114 -5.343 2.561 2.514 1.00 0.11 C ATOM 1655 O ILE A 114 -5.456 2.848 3.702 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.176 0.104 2.074 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.231 -1.101 1.972 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.169 0.072 0.923 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.835 -1.692 3.312 1.00 0.18 C ATOM 0 H ILE A 114 -3.424 1.362 3.923 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.046 1.639 1.058 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.707 0.035 3.023 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.710 -1.875 1.373 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.329 -0.798 1.440 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.708 -0.876 0.933 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.877 0.893 1.031 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.635 0.175 -0.021 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.167 -2.539 3.153 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.326 -0.934 3.908 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.728 -2.028 3.839 1.00 0.18 H new ATOM 1671 N LYS A 115 -5.994 3.199 1.555 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.031 4.171 1.858 1.00 0.14 C ATOM 1673 C LYS A 115 -8.303 3.779 1.115 1.00 0.15 C ATOM 1674 O LYS A 115 -8.240 3.316 -0.026 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.597 5.591 1.461 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.736 5.889 -0.024 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.442 7.346 -0.342 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.033 7.754 -1.685 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.829 9.197 -1.969 1.00 0.61 N ATOM 0 H LYS A 115 -5.822 3.061 0.559 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.213 4.173 2.933 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.191 6.312 2.023 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.558 5.737 1.755 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.055 5.250 -0.587 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.747 5.643 -0.350 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.850 7.981 0.444 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.364 7.507 -0.354 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.576 7.161 -2.477 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.100 7.530 -1.694 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.246 9.432 -2.892 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.287 9.765 -1.228 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.811 9.407 -1.986 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.449 3.938 1.755 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.706 3.542 1.135 1.00 0.17 C ATOM 1695 C ARG A 116 -11.285 4.666 0.287 1.00 0.19 C ATOM 1696 O ARG A 116 -11.318 5.822 0.703 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.708 3.096 2.198 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.063 2.710 1.645 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.873 1.933 2.665 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.077 1.356 2.077 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.852 0.468 2.689 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.568 0.069 3.926 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -16.908 -0.023 2.057 1.00 1.87 N ATOM 0 H ARG A 116 -9.538 4.333 2.691 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.503 2.700 0.473 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.293 2.246 2.740 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.838 3.902 2.920 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.608 3.607 1.352 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -12.933 2.108 0.746 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.258 1.138 3.088 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.151 2.593 3.487 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.340 1.653 1.137 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.752 0.445 4.409 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.166 -0.613 4.392 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.121 0.281 1.107 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -17.508 -0.705 2.520 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.728 4.309 -0.912 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.288 5.268 -1.854 1.00 0.27 C ATOM 1719 C LEU A 117 -13.780 5.032 -2.059 1.00 0.29 C ATOM 1720 O LEU A 117 -14.518 5.942 -2.443 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.543 5.199 -3.179 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.220 5.953 -3.163 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.147 5.122 -2.503 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.809 6.363 -4.553 1.00 0.80 C ATOM 0 H LEU A 117 -11.709 3.349 -1.257 1.00 0.22 H new ATOM 0 HA LEU A 117 -12.166 6.268 -1.437 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.356 4.155 -3.429 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.177 5.607 -3.967 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.355 6.864 -2.579 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.208 5.676 -2.500 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -9.440 4.898 -1.477 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -9.017 4.191 -3.054 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.861 6.899 -4.509 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.695 5.475 -5.175 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -10.573 7.011 -4.982 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.213 3.807 -1.806 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.620 3.451 -1.887 1.00 0.30 C ATOM 1738 C ALA A 118 -15.931 2.359 -0.877 1.00 0.30 C ATOM 1739 O ALA A 118 -15.278 1.303 -0.939 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.988 2.999 -3.292 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.811 2.565 -0.019 1.00 1.09 O ATOM 0 H ALA A 118 -13.602 3.035 -1.540 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.217 4.333 -1.654 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.046 2.739 -3.325 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.791 3.806 -3.997 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.391 2.128 -3.562 1.00 0.39 H new TER 1747 ALA A 118