USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0228 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -152:sc= -0.113 (180deg=-0.493) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 139:sc=-0.00179 (180deg=-1.71) USER MOD Single : A 10 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= 0.42 (180deg=0.246) USER MOD Single : A 15 THR OG1 : rot 124:sc= -2.12! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00897 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.999 K(o=-1,f=-1.7) USER MOD Single : A 49 GLN : amide:sc= -6.58! C(o=-6.6!,f=-14!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.666 K(o=-0.67,f=-2.4!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.074) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -1.19 (180deg=-4.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.842 16.923 -7.664 1.00 23.43 N ATOM 92 CA SER A 8 1.543 16.765 -8.934 1.00 21.42 C ATOM 93 C SER A 8 1.394 15.341 -9.461 1.00 45.44 C ATOM 94 O SER A 8 1.511 15.098 -10.661 1.00 11.42 O ATOM 95 CB SER A 8 3.024 17.109 -8.770 1.00 72.43 C ATOM 96 OG SER A 8 3.660 17.238 -10.029 1.00 41.34 O ATOM 0 HA SER A 8 1.097 17.450 -9.655 1.00 21.42 H new ATOM 0 HB2 SER A 8 3.125 18.039 -8.211 1.00 72.43 H new ATOM 0 HB3 SER A 8 3.519 16.332 -8.187 1.00 72.43 H new ATOM 0 HG SER A 8 4.605 17.460 -9.897 1.00 41.34 H new ATOM 101 N MET A 9 1.138 14.404 -8.554 1.00 22.22 N ATOM 102 CA MET A 9 0.974 13.005 -8.927 1.00 54.30 C ATOM 103 C MET A 9 -0.489 12.584 -8.825 1.00 51.12 C ATOM 104 O MET A 9 -1.154 12.856 -7.827 1.00 23.42 O ATOM 105 CB MET A 9 1.837 12.111 -8.034 1.00 24.14 C ATOM 106 CG MET A 9 2.959 12.857 -7.332 1.00 25.32 C ATOM 107 SD MET A 9 4.194 13.495 -8.480 1.00 62.15 S ATOM 108 CE MET A 9 5.547 13.852 -7.360 1.00 15.32 C ATOM 0 H MET A 9 1.040 14.589 -7.556 1.00 22.22 H new ATOM 0 HA MET A 9 1.296 12.891 -9.962 1.00 54.30 H new ATOM 0 HB2 MET A 9 1.202 11.638 -7.285 1.00 24.14 H new ATOM 0 HB3 MET A 9 2.266 11.312 -8.639 1.00 24.14 H new ATOM 0 HG2 MET A 9 2.538 13.684 -6.761 1.00 25.32 H new ATOM 0 HG3 MET A 9 3.442 12.190 -6.618 1.00 25.32 H new ATOM 0 HE1 MET A 9 6.489 13.550 -7.819 1.00 15.32 H new ATOM 0 HE2 MET A 9 5.572 14.921 -7.149 1.00 15.32 H new ATOM 0 HE3 MET A 9 5.404 13.302 -6.430 1.00 15.32 H new ATOM 116 N GLN A 10 -0.983 11.918 -9.865 1.00 43.34 N ATOM 117 CA GLN A 10 -2.367 11.461 -9.892 1.00 42.24 C ATOM 118 C GLN A 10 -2.447 9.991 -10.291 1.00 0.31 C ATOM 119 O GLN A 10 -1.680 9.525 -11.134 1.00 43.53 O ATOM 120 CB GLN A 10 -3.188 12.311 -10.863 1.00 74.55 C ATOM 121 CG GLN A 10 -3.135 13.800 -10.561 1.00 25.40 C ATOM 122 CD GLN A 10 -3.319 14.653 -11.800 1.00 25.22 C ATOM 123 OE1 GLN A 10 -3.451 14.136 -12.910 1.00 50.53 O ATOM 124 NE2 GLN A 10 -3.328 15.968 -11.618 1.00 23.04 N ATOM 0 H GLN A 10 -0.445 11.683 -10.699 1.00 43.34 H new ATOM 0 HA GLN A 10 -2.779 11.569 -8.889 1.00 42.24 H new ATOM 0 HB2 GLN A 10 -2.826 12.141 -11.877 1.00 74.55 H new ATOM 0 HB3 GLN A 10 -4.226 11.980 -10.835 1.00 74.55 H new ATOM 0 HG2 GLN A 10 -3.910 14.048 -9.836 1.00 25.40 H new ATOM 0 HG3 GLN A 10 -2.177 14.039 -10.099 1.00 25.40 H new ATOM 0 HE21 GLN A 10 -3.215 16.354 -10.681 1.00 23.04 H new ATOM 0 HE22 GLN A 10 -3.448 16.592 -12.416 1.00 23.04 H new ATOM 131 N ILE A 11 -3.379 9.268 -9.681 1.00 51.45 N ATOM 132 CA ILE A 11 -3.559 7.851 -9.975 1.00 72.41 C ATOM 133 C ILE A 11 -5.019 7.438 -9.818 1.00 73.41 C ATOM 134 O ILE A 11 -5.857 8.232 -9.389 1.00 52.34 O ATOM 135 CB ILE A 11 -2.688 6.971 -9.060 1.00 42.31 C ATOM 136 CG1 ILE A 11 -2.200 5.735 -9.819 1.00 40.14 C ATOM 137 CG2 ILE A 11 -3.465 6.564 -7.818 1.00 33.33 C ATOM 138 CD1 ILE A 11 -0.886 5.189 -9.305 1.00 64.13 C ATOM 0 H ILE A 11 -4.021 9.639 -8.981 1.00 51.45 H new ATOM 0 HA ILE A 11 -3.251 7.702 -11.010 1.00 72.41 H new ATOM 0 HB ILE A 11 -1.819 7.549 -8.746 1.00 42.31 H new ATOM 0 HG12 ILE A 11 -2.959 4.955 -9.753 1.00 40.14 H new ATOM 0 HG13 ILE A 11 -2.092 5.986 -10.874 1.00 40.14 H new ATOM 0 HG21 ILE A 11 -2.835 5.942 -7.182 1.00 33.33 H new ATOM 0 HG22 ILE A 11 -3.767 7.456 -7.269 1.00 33.33 H new ATOM 0 HG23 ILE A 11 -4.351 6.001 -8.111 1.00 33.33 H new ATOM 0 HD11 ILE A 11 -0.602 4.314 -9.890 1.00 64.13 H new ATOM 0 HD12 ILE A 11 -0.114 5.953 -9.396 1.00 64.13 H new ATOM 0 HD13 ILE A 11 -0.994 4.906 -8.258 1.00 64.13 H new ATOM 149 N PHE A 12 -5.316 6.190 -10.165 1.00 0.14 N ATOM 150 CA PHE A 12 -6.675 5.671 -10.062 1.00 64.43 C ATOM 151 C PHE A 12 -6.803 4.713 -8.882 1.00 71.04 C ATOM 152 O PHE A 12 -6.095 3.708 -8.804 1.00 72.24 O ATOM 153 CB PHE A 12 -7.071 4.959 -11.357 1.00 31.32 C ATOM 154 CG PHE A 12 -8.234 5.598 -12.062 1.00 64.54 C ATOM 155 CD1 PHE A 12 -8.201 6.941 -12.401 1.00 4.14 C ATOM 156 CD2 PHE A 12 -9.359 4.856 -12.382 1.00 23.23 C ATOM 157 CE1 PHE A 12 -9.269 7.532 -13.050 1.00 31.24 C ATOM 158 CE2 PHE A 12 -10.429 5.443 -13.031 1.00 75.42 C ATOM 159 CZ PHE A 12 -10.385 6.782 -13.364 1.00 72.22 C ATOM 0 H PHE A 12 -4.634 5.520 -10.520 1.00 0.14 H new ATOM 0 HA PHE A 12 -7.348 6.513 -9.898 1.00 64.43 H new ATOM 0 HB2 PHE A 12 -6.213 4.942 -12.030 1.00 31.32 H new ATOM 0 HB3 PHE A 12 -7.319 3.922 -11.131 1.00 31.32 H new ATOM 0 HD1 PHE A 12 -7.331 7.533 -12.156 1.00 4.14 H new ATOM 0 HD2 PHE A 12 -9.401 3.809 -12.122 1.00 23.23 H new ATOM 0 HE1 PHE A 12 -9.231 8.579 -13.311 1.00 31.24 H new ATOM 0 HE2 PHE A 12 -11.300 4.854 -13.278 1.00 75.42 H new ATOM 0 HZ PHE A 12 -11.222 7.242 -13.869 1.00 72.22 H new ATOM 168 N VAL A 13 -7.709 5.031 -7.964 1.00 33.04 N ATOM 169 CA VAL A 13 -7.931 4.199 -6.787 1.00 4.24 C ATOM 170 C VAL A 13 -9.420 3.975 -6.546 1.00 60.03 C ATOM 171 O VAL A 13 -10.203 4.923 -6.502 1.00 22.41 O ATOM 172 CB VAL A 13 -7.307 4.830 -5.528 1.00 11.34 C ATOM 173 CG1 VAL A 13 -7.563 3.956 -4.310 1.00 23.34 C ATOM 174 CG2 VAL A 13 -5.817 5.057 -5.728 1.00 12.44 C ATOM 0 H VAL A 13 -8.302 5.860 -8.012 1.00 33.04 H new ATOM 0 HA VAL A 13 -7.449 3.241 -6.981 1.00 4.24 H new ATOM 0 HB VAL A 13 -7.778 5.798 -5.356 1.00 11.34 H new ATOM 0 HG11 VAL A 13 -7.115 4.418 -3.430 1.00 23.34 H new ATOM 0 HG12 VAL A 13 -8.637 3.851 -4.157 1.00 23.34 H new ATOM 0 HG13 VAL A 13 -7.121 2.972 -4.469 1.00 23.34 H new ATOM 0 HG21 VAL A 13 -5.393 5.503 -4.829 1.00 12.44 H new ATOM 0 HG22 VAL A 13 -5.327 4.104 -5.926 1.00 12.44 H new ATOM 0 HG23 VAL A 13 -5.661 5.727 -6.574 1.00 12.44 H new ATOM 184 N LYS A 14 -9.804 2.712 -6.389 1.00 51.00 N ATOM 185 CA LYS A 14 -11.199 2.360 -6.150 1.00 62.32 C ATOM 186 C LYS A 14 -11.354 1.625 -4.822 1.00 52.23 C ATOM 187 O LYS A 14 -10.782 0.553 -4.623 1.00 42.45 O ATOM 188 CB LYS A 14 -11.730 1.491 -7.291 1.00 41.11 C ATOM 189 CG LYS A 14 -12.360 2.289 -8.421 1.00 22.40 C ATOM 190 CD LYS A 14 -13.857 2.045 -8.508 1.00 45.13 C ATOM 191 CE LYS A 14 -14.640 3.118 -7.768 1.00 34.22 C ATOM 192 NZ LYS A 14 -15.847 3.547 -8.529 1.00 22.30 N ATOM 0 H LYS A 14 -9.168 1.915 -6.423 1.00 51.00 H new ATOM 0 HA LYS A 14 -11.778 3.282 -6.105 1.00 62.32 H new ATOM 0 HB2 LYS A 14 -10.912 0.893 -7.692 1.00 41.11 H new ATOM 0 HB3 LYS A 14 -12.469 0.795 -6.893 1.00 41.11 H new ATOM 0 HG2 LYS A 14 -12.172 3.351 -8.266 1.00 22.40 H new ATOM 0 HG3 LYS A 14 -11.890 2.016 -9.366 1.00 22.40 H new ATOM 0 HD2 LYS A 14 -14.163 2.026 -9.554 1.00 45.13 H new ATOM 0 HD3 LYS A 14 -14.092 1.067 -8.089 1.00 45.13 H new ATOM 0 HE2 LYS A 14 -14.942 2.739 -6.791 1.00 34.22 H new ATOM 0 HE3 LYS A 14 -13.997 3.980 -7.591 1.00 34.22 H new ATOM 0 HZ1 LYS A 14 -16.521 4.004 -7.882 1.00 22.30 H new ATOM 0 HZ2 LYS A 14 -15.568 4.221 -9.271 1.00 22.30 H new ATOM 0 HZ3 LYS A 14 -16.295 2.717 -8.966 1.00 22.30 H new ATOM 202 N THR A 15 -12.133 2.207 -3.916 1.00 11.33 N ATOM 203 CA THR A 15 -12.365 1.608 -2.608 1.00 50.33 C ATOM 204 C THR A 15 -13.309 0.415 -2.709 1.00 51.54 C ATOM 205 O THR A 15 -13.729 0.034 -3.803 1.00 54.43 O ATOM 206 CB THR A 15 -12.952 2.630 -1.617 1.00 14.33 C ATOM 207 OG1 THR A 15 -14.356 2.789 -1.853 1.00 73.40 O ATOM 208 CG2 THR A 15 -12.254 3.975 -1.750 1.00 35.33 C ATOM 0 H THR A 15 -12.614 3.094 -4.065 1.00 11.33 H new ATOM 0 HA THR A 15 -11.396 1.271 -2.239 1.00 50.33 H new ATOM 0 HB THR A 15 -12.794 2.256 -0.606 1.00 14.33 H new ATOM 0 HG1 THR A 15 -14.850 2.602 -1.027 1.00 73.40 H new ATOM 0 HG21 THR A 15 -12.686 4.681 -1.040 1.00 35.33 H new ATOM 0 HG22 THR A 15 -11.191 3.855 -1.542 1.00 35.33 H new ATOM 0 HG23 THR A 15 -12.385 4.354 -2.764 1.00 35.33 H new ATOM 216 N LEU A 16 -13.639 -0.172 -1.564 1.00 63.43 N ATOM 217 CA LEU A 16 -14.534 -1.323 -1.524 1.00 30.44 C ATOM 218 C LEU A 16 -15.979 -0.897 -1.765 1.00 3.55 C ATOM 219 O LEU A 16 -16.769 -1.642 -2.347 1.00 34.54 O ATOM 220 CB LEU A 16 -14.420 -2.035 -0.175 1.00 0.20 C ATOM 221 CG LEU A 16 -13.001 -2.348 0.301 1.00 51.32 C ATOM 222 CD1 LEU A 16 -12.818 -1.924 1.750 1.00 20.21 C ATOM 223 CD2 LEU A 16 -12.698 -3.830 0.134 1.00 41.15 C ATOM 0 H LEU A 16 -13.300 0.130 -0.651 1.00 63.43 H new ATOM 0 HA LEU A 16 -14.239 -2.010 -2.317 1.00 30.44 H new ATOM 0 HB2 LEU A 16 -14.908 -1.419 0.581 1.00 0.20 H new ATOM 0 HB3 LEU A 16 -14.977 -2.970 -0.232 1.00 0.20 H new ATOM 0 HG LEU A 16 -12.299 -1.783 -0.312 1.00 51.32 H new ATOM 0 HD11 LEU A 16 -11.802 -2.155 2.071 1.00 20.21 H new ATOM 0 HD12 LEU A 16 -12.992 -0.852 1.840 1.00 20.21 H new ATOM 0 HD13 LEU A 16 -13.528 -2.461 2.379 1.00 20.21 H new ATOM 0 HD21 LEU A 16 -11.684 -4.035 0.478 1.00 41.15 H new ATOM 0 HD22 LEU A 16 -13.406 -4.415 0.722 1.00 41.15 H new ATOM 0 HD23 LEU A 16 -12.787 -4.103 -0.917 1.00 41.15 H new ATOM 234 N THR A 17 -16.318 0.308 -1.318 1.00 25.15 N ATOM 235 CA THR A 17 -17.667 0.835 -1.487 1.00 71.22 C ATOM 236 C THR A 17 -17.855 1.430 -2.877 1.00 50.33 C ATOM 237 O THR A 17 -18.981 1.617 -3.336 1.00 11.41 O ATOM 238 CB THR A 17 -17.986 1.911 -0.432 1.00 20.24 C ATOM 239 OG1 THR A 17 -19.401 1.996 -0.231 1.00 72.34 O ATOM 240 CG2 THR A 17 -17.449 3.268 -0.865 1.00 33.40 C ATOM 0 H THR A 17 -15.677 0.938 -0.836 1.00 25.15 H new ATOM 0 HA THR A 17 -18.352 -0.003 -1.359 1.00 71.22 H new ATOM 0 HB THR A 17 -17.503 1.627 0.503 1.00 20.24 H new ATOM 0 HG1 THR A 17 -19.595 2.681 0.442 1.00 72.34 H new ATOM 0 HG21 THR A 17 -17.686 4.012 -0.105 1.00 33.40 H new ATOM 0 HG22 THR A 17 -16.368 3.208 -0.990 1.00 33.40 H new ATOM 0 HG23 THR A 17 -17.908 3.556 -1.811 1.00 33.40 H new ATOM 248 N GLY A 18 -16.744 1.725 -3.545 1.00 65.12 N ATOM 249 CA GLY A 18 -16.809 2.296 -4.879 1.00 70.53 C ATOM 250 C GLY A 18 -16.362 3.744 -4.912 1.00 62.44 C ATOM 251 O GLY A 18 -16.604 4.455 -5.887 1.00 12.44 O ATOM 0 H GLY A 18 -15.800 1.579 -3.187 1.00 65.12 H new ATOM 0 HA2 GLY A 18 -16.183 1.710 -5.552 1.00 70.53 H new ATOM 0 HA3 GLY A 18 -17.831 2.226 -5.252 1.00 70.53 H new ATOM 255 N LYS A 19 -15.709 4.185 -3.841 1.00 1.51 N ATOM 256 CA LYS A 19 -15.227 5.557 -3.750 1.00 3.20 C ATOM 257 C LYS A 19 -13.946 5.739 -4.558 1.00 44.42 C ATOM 258 O LYS A 19 -13.157 4.805 -4.712 1.00 73.44 O ATOM 259 CB LYS A 19 -14.978 5.937 -2.289 1.00 52.23 C ATOM 260 CG LYS A 19 -16.217 6.447 -1.574 1.00 74.42 C ATOM 261 CD LYS A 19 -16.605 7.835 -2.052 1.00 24.14 C ATOM 262 CE LYS A 19 -17.606 8.490 -1.112 1.00 70.30 C ATOM 263 NZ LYS A 19 -18.169 9.743 -1.687 1.00 72.12 N ATOM 0 H LYS A 19 -15.502 3.611 -3.024 1.00 1.51 H new ATOM 0 HA LYS A 19 -15.994 6.212 -4.164 1.00 3.20 H new ATOM 0 HB2 LYS A 19 -14.594 5.067 -1.756 1.00 52.23 H new ATOM 0 HB3 LYS A 19 -14.204 6.703 -2.248 1.00 52.23 H new ATOM 0 HG2 LYS A 19 -17.045 5.758 -1.743 1.00 74.42 H new ATOM 0 HG3 LYS A 19 -16.035 6.469 -0.500 1.00 74.42 H new ATOM 0 HD2 LYS A 19 -15.713 8.458 -2.127 1.00 24.14 H new ATOM 0 HD3 LYS A 19 -17.033 7.770 -3.052 1.00 24.14 H new ATOM 0 HE2 LYS A 19 -18.416 7.792 -0.900 1.00 70.30 H new ATOM 0 HE3 LYS A 19 -17.120 8.713 -0.162 1.00 70.30 H new ATOM 0 HZ1 LYS A 19 -18.847 10.159 -1.016 1.00 72.12 H new ATOM 0 HZ2 LYS A 19 -17.399 10.419 -1.866 1.00 72.12 H new ATOM 0 HZ3 LYS A 19 -18.655 9.527 -2.581 1.00 72.12 H new ATOM 273 N THR A 20 -13.742 6.948 -5.073 1.00 2.23 N ATOM 274 CA THR A 20 -12.557 7.252 -5.865 1.00 63.11 C ATOM 275 C THR A 20 -11.707 8.324 -5.192 1.00 2.22 C ATOM 276 O THR A 20 -12.196 9.408 -4.873 1.00 13.24 O ATOM 277 CB THR A 20 -12.934 7.726 -7.282 1.00 72.13 C ATOM 278 OG1 THR A 20 -14.328 8.047 -7.335 1.00 53.42 O ATOM 279 CG2 THR A 20 -12.614 6.655 -8.313 1.00 54.35 C ATOM 0 H THR A 20 -14.383 7.733 -4.955 1.00 2.23 H new ATOM 0 HA THR A 20 -11.982 6.329 -5.940 1.00 63.11 H new ATOM 0 HB THR A 20 -12.348 8.616 -7.513 1.00 72.13 H new ATOM 0 HG1 THR A 20 -14.560 8.349 -8.238 1.00 53.42 H new ATOM 0 HG21 THR A 20 -12.889 7.012 -9.306 1.00 54.35 H new ATOM 0 HG22 THR A 20 -11.547 6.434 -8.289 1.00 54.35 H new ATOM 0 HG23 THR A 20 -13.177 5.750 -8.084 1.00 54.35 H new ATOM 287 N ILE A 21 -10.432 8.015 -4.981 1.00 53.21 N ATOM 288 CA ILE A 21 -9.513 8.953 -4.348 1.00 72.31 C ATOM 289 C ILE A 21 -8.204 9.048 -5.123 1.00 2.02 C ATOM 290 O ILE A 21 -7.660 8.039 -5.573 1.00 73.43 O ATOM 291 CB ILE A 21 -9.208 8.547 -2.893 1.00 1.44 C ATOM 292 CG1 ILE A 21 -8.932 7.045 -2.808 1.00 74.02 C ATOM 293 CG2 ILE A 21 -10.363 8.933 -1.982 1.00 52.14 C ATOM 294 CD1 ILE A 21 -10.176 6.214 -2.584 1.00 34.31 C ATOM 0 H ILE A 21 -10.012 7.122 -5.239 1.00 53.21 H new ATOM 0 HA ILE A 21 -10.004 9.926 -4.350 1.00 72.31 H new ATOM 0 HB ILE A 21 -8.317 9.080 -2.561 1.00 1.44 H new ATOM 0 HG12 ILE A 21 -8.449 6.720 -3.729 1.00 74.02 H new ATOM 0 HG13 ILE A 21 -8.229 6.858 -1.996 1.00 74.02 H new ATOM 0 HG21 ILE A 21 -10.132 8.640 -0.958 1.00 52.14 H new ATOM 0 HG22 ILE A 21 -10.516 10.011 -2.025 1.00 52.14 H new ATOM 0 HG23 ILE A 21 -11.270 8.425 -2.309 1.00 52.14 H new ATOM 0 HD11 ILE A 21 -9.905 5.159 -2.534 1.00 34.31 H new ATOM 0 HD12 ILE A 21 -10.649 6.512 -1.648 1.00 34.31 H new ATOM 0 HD13 ILE A 21 -10.872 6.371 -3.408 1.00 34.31 H new ATOM 305 N THR A 22 -7.701 10.269 -5.276 1.00 64.30 N ATOM 306 CA THR A 22 -6.454 10.498 -5.996 1.00 34.23 C ATOM 307 C THR A 22 -5.247 10.188 -5.118 1.00 12.32 C ATOM 308 O THR A 22 -5.062 10.795 -4.062 1.00 65.02 O ATOM 309 CB THR A 22 -6.351 11.952 -6.494 1.00 11.02 C ATOM 310 OG1 THR A 22 -7.659 12.524 -6.607 1.00 35.45 O ATOM 311 CG2 THR A 22 -5.647 12.014 -7.841 1.00 54.43 C ATOM 0 H THR A 22 -8.138 11.115 -4.911 1.00 64.30 H new ATOM 0 HA THR A 22 -6.458 9.827 -6.855 1.00 34.23 H new ATOM 0 HB THR A 22 -5.767 12.521 -5.770 1.00 11.02 H new ATOM 0 HG1 THR A 22 -7.585 13.449 -6.922 1.00 35.45 H new ATOM 0 HG21 THR A 22 -5.586 13.051 -8.172 1.00 54.43 H new ATOM 0 HG22 THR A 22 -4.642 11.604 -7.745 1.00 54.43 H new ATOM 0 HG23 THR A 22 -6.208 11.432 -8.572 1.00 54.43 H new ATOM 319 N LEU A 23 -4.428 9.240 -5.560 1.00 52.31 N ATOM 320 CA LEU A 23 -3.237 8.848 -4.814 1.00 31.11 C ATOM 321 C LEU A 23 -1.971 9.189 -5.593 1.00 2.45 C ATOM 322 O LEU A 23 -1.916 9.021 -6.811 1.00 30.33 O ATOM 323 CB LEU A 23 -3.272 7.350 -4.507 1.00 12.13 C ATOM 324 CG LEU A 23 -3.934 6.952 -3.188 1.00 54.14 C ATOM 325 CD1 LEU A 23 -3.052 7.335 -2.010 1.00 62.25 C ATOM 326 CD2 LEU A 23 -5.306 7.599 -3.062 1.00 22.51 C ATOM 0 H LEU A 23 -4.567 8.728 -6.431 1.00 52.31 H new ATOM 0 HA LEU A 23 -3.227 9.404 -3.877 1.00 31.11 H new ATOM 0 HB2 LEU A 23 -3.794 6.845 -5.320 1.00 12.13 H new ATOM 0 HB3 LEU A 23 -2.248 6.976 -4.504 1.00 12.13 H new ATOM 0 HG LEU A 23 -4.063 5.870 -3.182 1.00 54.14 H new ATOM 0 HD11 LEU A 23 -3.540 7.044 -1.080 1.00 62.25 H new ATOM 0 HD12 LEU A 23 -2.093 6.824 -2.092 1.00 62.25 H new ATOM 0 HD13 LEU A 23 -2.890 8.413 -2.012 1.00 62.25 H new ATOM 0 HD21 LEU A 23 -5.762 7.304 -2.117 1.00 22.51 H new ATOM 0 HD22 LEU A 23 -5.201 8.684 -3.091 1.00 22.51 H new ATOM 0 HD23 LEU A 23 -5.939 7.273 -3.887 1.00 22.51 H new ATOM 337 N GLU A 24 -0.955 9.667 -4.881 1.00 43.34 N ATOM 338 CA GLU A 24 0.311 10.030 -5.507 1.00 62.21 C ATOM 339 C GLU A 24 1.266 8.839 -5.535 1.00 34.02 C ATOM 340 O GLU A 24 1.200 7.956 -4.680 1.00 35.11 O ATOM 341 CB GLU A 24 0.959 11.198 -4.760 1.00 61.22 C ATOM 342 CG GLU A 24 1.436 10.838 -3.363 1.00 50.21 C ATOM 343 CD GLU A 24 2.397 11.862 -2.793 1.00 45.25 C ATOM 344 OE1 GLU A 24 3.110 12.513 -3.585 1.00 45.41 O ATOM 345 OE2 GLU A 24 2.437 12.012 -1.554 1.00 43.32 O ATOM 0 H GLU A 24 -0.984 9.812 -3.872 1.00 43.34 H new ATOM 0 HA GLU A 24 0.105 10.333 -6.533 1.00 62.21 H new ATOM 0 HB2 GLU A 24 1.806 11.565 -5.341 1.00 61.22 H new ATOM 0 HB3 GLU A 24 0.242 12.016 -4.690 1.00 61.22 H new ATOM 0 HG2 GLU A 24 0.575 10.746 -2.701 1.00 50.21 H new ATOM 0 HG3 GLU A 24 1.923 9.863 -3.389 1.00 50.21 H new ATOM 350 N VAL A 25 2.152 8.822 -6.526 1.00 54.11 N ATOM 351 CA VAL A 25 3.120 7.741 -6.667 1.00 61.25 C ATOM 352 C VAL A 25 4.459 8.265 -7.171 1.00 43.44 C ATOM 353 O VAL A 25 4.509 9.164 -8.011 1.00 75.15 O ATOM 354 CB VAL A 25 2.611 6.653 -7.631 1.00 20.53 C ATOM 355 CG1 VAL A 25 1.575 5.774 -6.946 1.00 24.31 C ATOM 356 CG2 VAL A 25 2.037 7.285 -8.890 1.00 31.01 C ATOM 0 H VAL A 25 2.219 9.545 -7.243 1.00 54.11 H new ATOM 0 HA VAL A 25 3.253 7.305 -5.677 1.00 61.25 H new ATOM 0 HB VAL A 25 3.453 6.023 -7.918 1.00 20.53 H new ATOM 0 HG11 VAL A 25 1.227 5.011 -7.643 1.00 24.31 H new ATOM 0 HG12 VAL A 25 2.023 5.294 -6.076 1.00 24.31 H new ATOM 0 HG13 VAL A 25 0.731 6.387 -6.628 1.00 24.31 H new ATOM 0 HG21 VAL A 25 1.682 6.502 -9.561 1.00 31.01 H new ATOM 0 HG22 VAL A 25 1.207 7.939 -8.623 1.00 31.01 H new ATOM 0 HG23 VAL A 25 2.811 7.868 -9.390 1.00 31.01 H new ATOM 366 N GLU A 26 5.544 7.696 -6.654 1.00 12.44 N ATOM 367 CA GLU A 26 6.885 8.107 -7.053 1.00 31.21 C ATOM 368 C GLU A 26 7.911 7.032 -6.704 1.00 13.12 C ATOM 369 O GLU A 26 7.752 6.275 -5.746 1.00 24.14 O ATOM 370 CB GLU A 26 7.261 9.425 -6.374 1.00 24.21 C ATOM 371 CG GLU A 26 6.878 10.656 -7.180 1.00 71.23 C ATOM 372 CD GLU A 26 7.329 10.571 -8.625 1.00 62.32 C ATOM 373 OE1 GLU A 26 8.467 10.996 -8.916 1.00 30.31 O ATOM 374 OE2 GLU A 26 6.545 10.081 -9.464 1.00 44.03 O ATOM 0 H GLU A 26 5.520 6.950 -5.959 1.00 12.44 H new ATOM 0 HA GLU A 26 6.887 8.249 -8.134 1.00 31.21 H new ATOM 0 HB2 GLU A 26 6.775 9.473 -5.399 1.00 24.21 H new ATOM 0 HB3 GLU A 26 8.336 9.438 -6.195 1.00 24.21 H new ATOM 0 HG2 GLU A 26 5.796 10.784 -7.148 1.00 71.23 H new ATOM 0 HG3 GLU A 26 7.318 11.540 -6.718 1.00 71.23 H new ATOM 379 N PRO A 27 8.988 6.962 -7.499 1.00 52.40 N ATOM 380 CA PRO A 27 10.060 5.983 -7.295 1.00 31.22 C ATOM 381 C PRO A 27 10.881 6.277 -6.045 1.00 41.02 C ATOM 382 O PRO A 27 11.597 5.410 -5.543 1.00 1.21 O ATOM 383 CB PRO A 27 10.923 6.136 -8.550 1.00 3.24 C ATOM 384 CG PRO A 27 10.672 7.528 -9.016 1.00 33.33 C ATOM 385 CD PRO A 27 9.242 7.832 -8.660 1.00 2.22 C ATOM 0 HA PRO A 27 9.671 4.975 -7.149 1.00 31.22 H new ATOM 0 HB2 PRO A 27 11.978 5.978 -8.326 1.00 3.24 H new ATOM 0 HB3 PRO A 27 10.646 5.408 -9.312 1.00 3.24 H new ATOM 0 HG2 PRO A 27 11.352 8.230 -8.533 1.00 33.33 H new ATOM 0 HG3 PRO A 27 10.834 7.615 -10.090 1.00 33.33 H new ATOM 0 HD2 PRO A 27 9.105 8.884 -8.411 1.00 2.22 H new ATOM 0 HD3 PRO A 27 8.566 7.609 -9.485 1.00 2.22 H new ATOM 390 N SER A 28 10.773 7.504 -5.546 1.00 75.44 N ATOM 391 CA SER A 28 11.509 7.912 -4.354 1.00 33.20 C ATOM 392 C SER A 28 10.565 8.103 -3.171 1.00 21.51 C ATOM 393 O SER A 28 10.999 8.172 -2.021 1.00 73.03 O ATOM 394 CB SER A 28 12.278 9.207 -4.622 1.00 2.11 C ATOM 395 OG SER A 28 12.204 10.084 -3.512 1.00 52.34 O ATOM 0 H SER A 28 10.183 8.233 -5.948 1.00 75.44 H new ATOM 0 HA SER A 28 12.218 7.122 -4.107 1.00 33.20 H new ATOM 0 HB2 SER A 28 13.321 8.976 -4.838 1.00 2.11 H new ATOM 0 HB3 SER A 28 11.871 9.699 -5.506 1.00 2.11 H new ATOM 0 HG SER A 28 12.705 10.903 -3.708 1.00 52.34 H new ATOM 400 N ASP A 29 9.272 8.190 -3.463 1.00 54.12 N ATOM 401 CA ASP A 29 8.264 8.372 -2.424 1.00 13.03 C ATOM 402 C ASP A 29 7.498 7.077 -2.177 1.00 34.40 C ATOM 403 O ASP A 29 7.016 6.437 -3.113 1.00 24.33 O ATOM 404 CB ASP A 29 7.293 9.487 -2.817 1.00 73.11 C ATOM 405 CG ASP A 29 7.997 10.673 -3.446 1.00 32.50 C ATOM 406 OD1 ASP A 29 9.183 10.897 -3.125 1.00 72.45 O ATOM 407 OD2 ASP A 29 7.361 11.379 -4.257 1.00 24.21 O ATOM 0 H ASP A 29 8.897 8.138 -4.410 1.00 54.12 H new ATOM 0 HA ASP A 29 8.774 8.652 -1.502 1.00 13.03 H new ATOM 0 HB2 ASP A 29 6.556 9.093 -3.517 1.00 73.11 H new ATOM 0 HB3 ASP A 29 6.748 9.819 -1.933 1.00 73.11 H new ATOM 411 N THR A 30 7.388 6.693 -0.908 1.00 12.43 N ATOM 412 CA THR A 30 6.683 5.473 -0.537 1.00 72.21 C ATOM 413 C THR A 30 5.280 5.783 -0.027 1.00 73.30 C ATOM 414 O THR A 30 4.919 6.945 0.157 1.00 64.23 O ATOM 415 CB THR A 30 7.449 4.687 0.544 1.00 24.34 C ATOM 416 OG1 THR A 30 6.858 3.396 0.722 1.00 44.32 O ATOM 417 CG2 THR A 30 7.441 5.441 1.867 1.00 1.20 C ATOM 0 H THR A 30 7.779 7.210 -0.120 1.00 12.43 H new ATOM 0 HA THR A 30 6.613 4.862 -1.437 1.00 72.21 H new ATOM 0 HB THR A 30 8.482 4.571 0.215 1.00 24.34 H new ATOM 0 HG1 THR A 30 7.352 2.902 1.410 1.00 44.32 H new ATOM 0 HG21 THR A 30 7.987 4.868 2.616 1.00 1.20 H new ATOM 0 HG22 THR A 30 7.917 6.413 1.735 1.00 1.20 H new ATOM 0 HG23 THR A 30 6.412 5.583 2.198 1.00 1.20 H new ATOM 425 N ILE A 31 4.494 4.736 0.201 1.00 13.41 N ATOM 426 CA ILE A 31 3.131 4.897 0.692 1.00 63.14 C ATOM 427 C ILE A 31 3.096 5.774 1.938 1.00 62.42 C ATOM 428 O ILE A 31 2.094 6.430 2.220 1.00 24.12 O ATOM 429 CB ILE A 31 2.486 3.537 1.017 1.00 15.33 C ATOM 430 CG1 ILE A 31 2.625 2.585 -0.173 1.00 32.35 C ATOM 431 CG2 ILE A 31 1.021 3.721 1.386 1.00 63.42 C ATOM 432 CD1 ILE A 31 2.203 3.198 -1.490 1.00 4.40 C ATOM 0 H ILE A 31 4.778 3.767 0.054 1.00 13.41 H new ATOM 0 HA ILE A 31 2.563 5.378 -0.104 1.00 63.14 H new ATOM 0 HB ILE A 31 3.004 3.100 1.871 1.00 15.33 H new ATOM 0 HG12 ILE A 31 3.663 2.260 -0.249 1.00 32.35 H new ATOM 0 HG13 ILE A 31 2.025 1.694 0.013 1.00 32.35 H new ATOM 0 HG21 ILE A 31 0.578 2.751 1.613 1.00 63.42 H new ATOM 0 HG22 ILE A 31 0.944 4.368 2.260 1.00 63.42 H new ATOM 0 HG23 ILE A 31 0.490 4.175 0.550 1.00 63.42 H new ATOM 0 HD11 ILE A 31 2.328 2.467 -2.288 1.00 4.40 H new ATOM 0 HD12 ILE A 31 1.157 3.498 -1.433 1.00 4.40 H new ATOM 0 HD13 ILE A 31 2.820 4.072 -1.699 1.00 4.40 H new ATOM 443 N GLU A 32 4.199 5.782 2.681 1.00 52.34 N ATOM 444 CA GLU A 32 4.295 6.580 3.898 1.00 15.41 C ATOM 445 C GLU A 32 3.896 8.028 3.631 1.00 74.44 C ATOM 446 O GLU A 32 3.027 8.578 4.306 1.00 34.12 O ATOM 447 CB GLU A 32 5.716 6.525 4.460 1.00 5.11 C ATOM 448 CG GLU A 32 5.828 7.038 5.886 1.00 71.20 C ATOM 449 CD GLU A 32 7.201 6.805 6.484 1.00 45.12 C ATOM 450 OE1 GLU A 32 7.735 5.687 6.329 1.00 51.22 O ATOM 451 OE2 GLU A 32 7.743 7.743 7.107 1.00 51.35 O ATOM 0 H GLU A 32 5.038 5.245 2.461 1.00 52.34 H new ATOM 0 HA GLU A 32 3.607 6.161 4.632 1.00 15.41 H new ATOM 0 HB2 GLU A 32 6.072 5.495 4.424 1.00 5.11 H new ATOM 0 HB3 GLU A 32 6.374 7.112 3.819 1.00 5.11 H new ATOM 0 HG2 GLU A 32 5.605 8.105 5.903 1.00 71.20 H new ATOM 0 HG3 GLU A 32 5.078 6.546 6.505 1.00 71.20 H new ATOM 456 N ASN A 33 4.539 8.640 2.643 1.00 44.22 N ATOM 457 CA ASN A 33 4.253 10.025 2.286 1.00 32.31 C ATOM 458 C ASN A 33 2.972 10.122 1.464 1.00 21.23 C ATOM 459 O ASN A 33 2.199 11.069 1.608 1.00 32.35 O ATOM 460 CB ASN A 33 5.422 10.624 1.503 1.00 11.34 C ATOM 461 CG ASN A 33 6.631 10.891 2.379 1.00 31.33 C ATOM 462 OD1 ASN A 33 6.513 11.481 3.452 1.00 63.43 O ATOM 463 ND2 ASN A 33 7.799 10.456 1.924 1.00 63.13 N ATOM 0 H ASN A 33 5.262 8.199 2.075 1.00 44.22 H new ATOM 0 HA ASN A 33 4.115 10.590 3.208 1.00 32.31 H new ATOM 0 HB2 ASN A 33 5.703 9.944 0.699 1.00 11.34 H new ATOM 0 HB3 ASN A 33 5.103 11.556 1.036 1.00 11.34 H new ATOM 0 HD21 ASN A 33 8.647 10.606 2.470 1.00 63.13 H new ATOM 0 HD22 ASN A 33 7.849 9.971 1.028 1.00 63.13 H new ATOM 469 N VAL A 34 2.753 9.135 0.601 1.00 4.20 N ATOM 470 CA VAL A 34 1.565 9.107 -0.244 1.00 12.11 C ATOM 471 C VAL A 34 0.296 9.260 0.587 1.00 31.24 C ATOM 472 O VAL A 34 -0.682 9.862 0.142 1.00 71.10 O ATOM 473 CB VAL A 34 1.481 7.799 -1.053 1.00 64.12 C ATOM 474 CG1 VAL A 34 0.255 7.804 -1.952 1.00 54.33 C ATOM 475 CG2 VAL A 34 2.750 7.595 -1.868 1.00 2.44 C ATOM 0 H VAL A 34 3.383 8.344 0.469 1.00 4.20 H new ATOM 0 HA VAL A 34 1.648 9.947 -0.934 1.00 12.11 H new ATOM 0 HB VAL A 34 1.386 6.966 -0.356 1.00 64.12 H new ATOM 0 HG11 VAL A 34 0.213 6.872 -2.515 1.00 54.33 H new ATOM 0 HG12 VAL A 34 -0.643 7.900 -1.342 1.00 54.33 H new ATOM 0 HG13 VAL A 34 0.315 8.644 -2.644 1.00 54.33 H new ATOM 0 HG21 VAL A 34 2.674 6.666 -2.434 1.00 2.44 H new ATOM 0 HG22 VAL A 34 2.878 8.430 -2.557 1.00 2.44 H new ATOM 0 HG23 VAL A 34 3.608 7.542 -1.198 1.00 2.44 H new ATOM 485 N LYS A 35 0.318 8.712 1.797 1.00 42.10 N ATOM 486 CA LYS A 35 -0.829 8.788 2.694 1.00 11.24 C ATOM 487 C LYS A 35 -1.291 10.231 2.864 1.00 71.31 C ATOM 488 O LYS A 35 -2.460 10.489 3.147 1.00 15.21 O ATOM 489 CB LYS A 35 -0.478 8.188 4.057 1.00 5.23 C ATOM 490 CG LYS A 35 0.285 9.140 4.961 1.00 50.33 C ATOM 491 CD LYS A 35 -0.651 9.914 5.873 1.00 35.53 C ATOM 492 CE LYS A 35 0.081 10.461 7.089 1.00 74.44 C ATOM 493 NZ LYS A 35 1.045 11.535 6.720 1.00 74.24 N ATOM 0 H LYS A 35 1.119 8.210 2.180 1.00 42.10 H new ATOM 0 HA LYS A 35 -1.644 8.214 2.252 1.00 11.24 H new ATOM 0 HB2 LYS A 35 -1.397 7.882 4.558 1.00 5.23 H new ATOM 0 HB3 LYS A 35 0.117 7.288 3.906 1.00 5.23 H new ATOM 0 HG2 LYS A 35 0.999 8.578 5.563 1.00 50.33 H new ATOM 0 HG3 LYS A 35 0.861 9.838 4.353 1.00 50.33 H new ATOM 0 HD2 LYS A 35 -1.103 10.737 5.319 1.00 35.53 H new ATOM 0 HD3 LYS A 35 -1.464 9.264 6.198 1.00 35.53 H new ATOM 0 HE2 LYS A 35 -0.643 10.853 7.803 1.00 74.44 H new ATOM 0 HE3 LYS A 35 0.613 9.651 7.587 1.00 74.44 H new ATOM 0 HZ1 LYS A 35 1.523 11.881 7.576 1.00 74.24 H new ATOM 0 HZ2 LYS A 35 1.752 11.155 6.058 1.00 74.24 H new ATOM 0 HZ3 LYS A 35 0.534 12.320 6.268 1.00 74.24 H new ATOM 503 N ALA A 36 -0.365 11.168 2.691 1.00 23.02 N ATOM 504 CA ALA A 36 -0.679 12.587 2.823 1.00 53.32 C ATOM 505 C ALA A 36 -1.641 13.040 1.730 1.00 53.42 C ATOM 506 O ALA A 36 -2.623 13.732 2.001 1.00 54.40 O ATOM 507 CB ALA A 36 0.597 13.415 2.782 1.00 33.05 C ATOM 0 H ALA A 36 0.609 10.971 2.459 1.00 23.02 H new ATOM 0 HA ALA A 36 -1.167 12.738 3.786 1.00 53.32 H new ATOM 0 HB1 ALA A 36 0.348 14.472 2.881 1.00 33.05 H new ATOM 0 HB2 ALA A 36 1.250 13.117 3.602 1.00 33.05 H new ATOM 0 HB3 ALA A 36 1.107 13.250 1.833 1.00 33.05 H new ATOM 513 N LYS A 37 -1.354 12.645 0.494 1.00 25.15 N ATOM 514 CA LYS A 37 -2.194 13.010 -0.641 1.00 71.22 C ATOM 515 C LYS A 37 -3.626 12.525 -0.436 1.00 60.34 C ATOM 516 O LYS A 37 -4.577 13.294 -0.576 1.00 11.32 O ATOM 517 CB LYS A 37 -1.624 12.422 -1.933 1.00 34.23 C ATOM 518 CG LYS A 37 -1.237 13.471 -2.960 1.00 31.11 C ATOM 519 CD LYS A 37 0.150 14.032 -2.689 1.00 34.14 C ATOM 520 CE LYS A 37 0.080 15.458 -2.165 1.00 62.33 C ATOM 521 NZ LYS A 37 1.207 16.290 -2.672 1.00 52.12 N ATOM 0 H LYS A 37 -0.546 12.072 0.253 1.00 25.15 H new ATOM 0 HA LYS A 37 -2.205 14.097 -0.719 1.00 71.22 H new ATOM 0 HB2 LYS A 37 -0.747 11.820 -1.693 1.00 34.23 H new ATOM 0 HB3 LYS A 37 -2.361 11.750 -2.373 1.00 34.23 H new ATOM 0 HG2 LYS A 37 -1.265 13.032 -3.958 1.00 31.11 H new ATOM 0 HG3 LYS A 37 -1.967 14.281 -2.947 1.00 31.11 H new ATOM 0 HD2 LYS A 37 0.664 13.401 -1.964 1.00 34.14 H new ATOM 0 HD3 LYS A 37 0.739 14.008 -3.606 1.00 34.14 H new ATOM 0 HE2 LYS A 37 -0.867 15.908 -2.463 1.00 62.33 H new ATOM 0 HE3 LYS A 37 0.099 15.446 -1.075 1.00 62.33 H new ATOM 0 HZ1 LYS A 37 1.124 17.255 -2.293 1.00 52.12 H new ATOM 0 HZ2 LYS A 37 2.110 15.874 -2.367 1.00 52.12 H new ATOM 0 HZ3 LYS A 37 1.175 16.322 -3.711 1.00 52.12 H new ATOM 531 N ILE A 38 -3.770 11.246 -0.104 1.00 34.54 N ATOM 532 CA ILE A 38 -5.085 10.661 0.122 1.00 73.43 C ATOM 533 C ILE A 38 -5.694 11.164 1.428 1.00 13.54 C ATOM 534 O ILE A 38 -6.915 11.266 1.554 1.00 63.24 O ATOM 535 CB ILE A 38 -5.018 9.123 0.160 1.00 14.11 C ATOM 536 CG1 ILE A 38 -6.361 8.542 0.607 1.00 73.00 C ATOM 537 CG2 ILE A 38 -3.902 8.665 1.087 1.00 51.54 C ATOM 538 CD1 ILE A 38 -7.538 9.060 -0.188 1.00 3.54 C ATOM 0 H ILE A 38 -2.993 10.596 0.014 1.00 34.54 H new ATOM 0 HA ILE A 38 -5.715 10.969 -0.713 1.00 73.43 H new ATOM 0 HB ILE A 38 -4.803 8.759 -0.845 1.00 14.11 H new ATOM 0 HG12 ILE A 38 -6.325 7.456 0.521 1.00 73.00 H new ATOM 0 HG13 ILE A 38 -6.515 8.773 1.661 1.00 73.00 H new ATOM 0 HG21 ILE A 38 -3.867 7.576 1.104 1.00 51.54 H new ATOM 0 HG22 ILE A 38 -2.949 9.053 0.728 1.00 51.54 H new ATOM 0 HG23 ILE A 38 -4.090 9.037 2.094 1.00 51.54 H new ATOM 0 HD11 ILE A 38 -8.456 8.606 0.184 1.00 3.54 H new ATOM 0 HD12 ILE A 38 -7.600 10.143 -0.082 1.00 3.54 H new ATOM 0 HD13 ILE A 38 -7.407 8.805 -1.240 1.00 3.54 H new ATOM 549 N GLN A 39 -4.836 11.478 2.392 1.00 13.33 N ATOM 550 CA GLN A 39 -5.290 11.971 3.687 1.00 3.35 C ATOM 551 C GLN A 39 -6.280 13.119 3.515 1.00 32.43 C ATOM 552 O GLN A 39 -7.288 13.193 4.219 1.00 54.42 O ATOM 553 CB GLN A 39 -4.098 12.432 4.527 1.00 21.10 C ATOM 554 CG GLN A 39 -3.774 11.503 5.685 1.00 42.15 C ATOM 555 CD GLN A 39 -3.154 12.230 6.861 1.00 60.34 C ATOM 556 OE1 GLN A 39 -1.965 12.783 6.656 1.00 23.03 O flip ATOM 557 NE2 GLN A 39 -3.738 12.294 7.944 1.00 40.55 N flip ATOM 0 H GLN A 39 -3.823 11.400 2.301 1.00 13.33 H new ATOM 0 HA GLN A 39 -5.794 11.154 4.203 1.00 3.35 H new ATOM 0 HB2 GLN A 39 -3.222 12.516 3.884 1.00 21.10 H new ATOM 0 HB3 GLN A 39 -4.304 13.428 4.918 1.00 21.10 H new ATOM 0 HG2 GLN A 39 -4.686 11.004 6.011 1.00 42.15 H new ATOM 0 HG3 GLN A 39 -3.091 10.726 5.342 1.00 42.15 H new ATOM 0 HE21 GLN A 39 -4.651 11.854 8.058 1.00 40.55 H new ATOM 0 HE22 GLN A 39 -3.308 12.787 8.727 1.00 40.55 H new ATOM 564 N ASP A 40 -5.986 14.012 2.577 1.00 50.31 N ATOM 565 CA ASP A 40 -6.851 15.156 2.311 1.00 72.43 C ATOM 566 C ASP A 40 -8.069 14.739 1.493 1.00 74.13 C ATOM 567 O ASP A 40 -9.123 15.370 1.563 1.00 14.23 O ATOM 568 CB ASP A 40 -6.076 16.249 1.575 1.00 50.12 C ATOM 569 CG ASP A 40 -6.957 17.416 1.177 1.00 11.21 C ATOM 570 OD1 ASP A 40 -7.866 17.766 1.958 1.00 73.50 O ATOM 571 OD2 ASP A 40 -6.739 17.979 0.083 1.00 75.41 O ATOM 0 H ASP A 40 -5.155 13.966 1.988 1.00 50.31 H new ATOM 0 HA ASP A 40 -7.196 15.548 3.268 1.00 72.43 H new ATOM 0 HB2 ASP A 40 -5.268 16.609 2.212 1.00 50.12 H new ATOM 0 HB3 ASP A 40 -5.615 15.825 0.683 1.00 50.12 H new ATOM 575 N LYS A 41 -7.916 13.671 0.717 1.00 30.21 N ATOM 576 CA LYS A 41 -9.001 13.168 -0.116 1.00 15.41 C ATOM 577 C LYS A 41 -10.075 12.498 0.736 1.00 54.22 C ATOM 578 O LYS A 41 -11.247 12.870 0.680 1.00 45.23 O ATOM 579 CB LYS A 41 -8.462 12.177 -1.150 1.00 72.24 C ATOM 580 CG LYS A 41 -8.244 12.788 -2.522 1.00 11.12 C ATOM 581 CD LYS A 41 -6.776 12.768 -2.915 1.00 62.12 C ATOM 582 CE LYS A 41 -6.156 14.154 -2.825 1.00 23.12 C ATOM 583 NZ LYS A 41 -6.781 15.104 -3.787 1.00 10.32 N ATOM 0 H LYS A 41 -7.050 13.137 0.648 1.00 30.21 H new ATOM 0 HA LYS A 41 -9.450 14.015 -0.635 1.00 15.41 H new ATOM 0 HB2 LYS A 41 -7.518 11.767 -0.790 1.00 72.24 H new ATOM 0 HB3 LYS A 41 -9.159 11.343 -1.239 1.00 72.24 H new ATOM 0 HG2 LYS A 41 -8.827 12.240 -3.262 1.00 11.12 H new ATOM 0 HG3 LYS A 41 -8.609 13.815 -2.526 1.00 11.12 H new ATOM 0 HD2 LYS A 41 -6.233 12.083 -2.264 1.00 62.12 H new ATOM 0 HD3 LYS A 41 -6.676 12.389 -3.932 1.00 62.12 H new ATOM 0 HE2 LYS A 41 -6.269 14.537 -1.811 1.00 23.12 H new ATOM 0 HE3 LYS A 41 -5.086 14.087 -3.023 1.00 23.12 H new ATOM 0 HZ1 LYS A 41 -6.090 15.836 -4.051 1.00 10.32 H new ATOM 0 HZ2 LYS A 41 -7.081 14.588 -4.639 1.00 10.32 H new ATOM 0 HZ3 LYS A 41 -7.608 15.552 -3.344 1.00 10.32 H new ATOM 593 N GLU A 42 -9.666 11.508 1.524 1.00 62.40 N ATOM 594 CA GLU A 42 -10.594 10.788 2.388 1.00 40.44 C ATOM 595 C GLU A 42 -10.103 10.788 3.833 1.00 75.13 C ATOM 596 O GLU A 42 -10.900 10.837 4.770 1.00 24.03 O ATOM 597 CB GLU A 42 -10.768 9.348 1.897 1.00 63.34 C ATOM 598 CG GLU A 42 -9.616 8.432 2.276 1.00 44.12 C ATOM 599 CD GLU A 42 -9.524 7.211 1.383 1.00 53.05 C ATOM 600 OE1 GLU A 42 -10.557 6.828 0.795 1.00 2.41 O ATOM 601 OE2 GLU A 42 -8.420 6.637 1.273 1.00 73.02 O ATOM 0 H GLU A 42 -8.700 11.187 1.582 1.00 62.40 H new ATOM 0 HA GLU A 42 -11.557 11.297 2.350 1.00 40.44 H new ATOM 0 HB2 GLU A 42 -11.693 8.943 2.307 1.00 63.34 H new ATOM 0 HB3 GLU A 42 -10.875 9.353 0.812 1.00 63.34 H new ATOM 0 HG2 GLU A 42 -8.681 8.989 2.221 1.00 44.12 H new ATOM 0 HG3 GLU A 42 -9.736 8.112 3.311 1.00 44.12 H new ATOM 606 N GLY A 43 -8.786 10.731 4.006 1.00 22.44 N ATOM 607 CA GLY A 43 -8.213 10.727 5.339 1.00 43.42 C ATOM 608 C GLY A 43 -7.988 9.324 5.867 1.00 74.40 C ATOM 609 O GLY A 43 -8.079 9.086 7.073 1.00 2.24 O ATOM 0 H GLY A 43 -8.106 10.688 3.247 1.00 22.44 H new ATOM 0 HA2 GLY A 43 -7.264 11.264 5.325 1.00 43.42 H new ATOM 0 HA3 GLY A 43 -8.874 11.266 6.017 1.00 43.42 H new ATOM 613 N ILE A 44 -7.697 8.393 4.965 1.00 71.11 N ATOM 614 CA ILE A 44 -7.460 7.006 5.349 1.00 34.12 C ATOM 615 C ILE A 44 -6.129 6.857 6.078 1.00 62.11 C ATOM 616 O ILE A 44 -5.089 7.340 5.629 1.00 10.34 O ATOM 617 CB ILE A 44 -7.468 6.074 4.123 1.00 34.01 C ATOM 618 CG1 ILE A 44 -7.530 4.612 4.568 1.00 3.50 C ATOM 619 CG2 ILE A 44 -6.239 6.321 3.261 1.00 50.12 C ATOM 620 CD1 ILE A 44 -8.926 4.141 4.908 1.00 73.42 C ATOM 0 H ILE A 44 -7.620 8.573 3.964 1.00 71.11 H new ATOM 0 HA ILE A 44 -8.272 6.720 6.018 1.00 34.12 H new ATOM 0 HB ILE A 44 -8.354 6.290 3.526 1.00 34.01 H new ATOM 0 HG12 ILE A 44 -7.126 3.982 3.775 1.00 3.50 H new ATOM 0 HG13 ILE A 44 -6.888 4.479 5.439 1.00 3.50 H new ATOM 0 HG21 ILE A 44 -6.259 5.655 2.399 1.00 50.12 H new ATOM 0 HG22 ILE A 44 -6.236 7.356 2.920 1.00 50.12 H new ATOM 0 HG23 ILE A 44 -5.340 6.129 3.846 1.00 50.12 H new ATOM 0 HD11 ILE A 44 -8.893 3.096 5.215 1.00 73.42 H new ATOM 0 HD12 ILE A 44 -9.326 4.746 5.722 1.00 73.42 H new ATOM 0 HD13 ILE A 44 -9.567 4.242 4.032 1.00 73.42 H new ATOM 631 N PRO A 45 -6.159 6.171 7.229 1.00 72.13 N ATOM 632 CA PRO A 45 -4.963 5.940 8.045 1.00 53.54 C ATOM 633 C PRO A 45 -3.988 4.974 7.381 1.00 41.14 C ATOM 634 O PRO A 45 -4.340 3.854 7.011 1.00 11.01 O ATOM 635 CB PRO A 45 -5.524 5.332 9.333 1.00 63.02 C ATOM 636 CG PRO A 45 -6.813 4.705 8.927 1.00 44.45 C ATOM 637 CD PRO A 45 -7.364 5.567 7.825 1.00 4.31 C ATOM 0 HA PRO A 45 -4.394 6.856 8.203 1.00 53.54 H new ATOM 0 HB2 PRO A 45 -4.840 4.594 9.753 1.00 63.02 H new ATOM 0 HB3 PRO A 45 -5.678 6.095 10.096 1.00 63.02 H new ATOM 0 HG2 PRO A 45 -6.658 3.683 8.582 1.00 44.45 H new ATOM 0 HG3 PRO A 45 -7.505 4.656 9.768 1.00 44.45 H new ATOM 0 HD2 PRO A 45 -7.922 4.979 7.096 1.00 4.31 H new ATOM 0 HD3 PRO A 45 -8.045 6.326 8.211 1.00 4.31 H new ATOM 642 N PRO A 46 -2.730 5.415 7.226 1.00 54.53 N ATOM 643 CA PRO A 46 -1.677 4.604 6.607 1.00 73.12 C ATOM 644 C PRO A 46 -1.261 3.428 7.484 1.00 61.04 C ATOM 645 O PRO A 46 -0.679 2.457 7.000 1.00 72.12 O ATOM 646 CB PRO A 46 -0.518 5.589 6.448 1.00 65.54 C ATOM 647 CG PRO A 46 -0.747 6.618 7.501 1.00 35.32 C ATOM 648 CD PRO A 46 -2.239 6.739 7.644 1.00 0.44 C ATOM 0 HA PRO A 46 -2.005 4.157 5.669 1.00 73.12 H new ATOM 0 HB2 PRO A 46 0.444 5.093 6.581 1.00 65.54 H new ATOM 0 HB3 PRO A 46 -0.511 6.035 5.454 1.00 65.54 H new ATOM 0 HG2 PRO A 46 -0.287 6.321 8.444 1.00 35.32 H new ATOM 0 HG3 PRO A 46 -0.303 7.572 7.217 1.00 35.32 H new ATOM 0 HD2 PRO A 46 -2.527 6.969 8.670 1.00 0.44 H new ATOM 0 HD3 PRO A 46 -2.640 7.533 7.015 1.00 0.44 H new ATOM 653 N ASP A 47 -1.562 3.521 8.774 1.00 21.32 N ATOM 654 CA ASP A 47 -1.220 2.464 9.718 1.00 15.24 C ATOM 655 C ASP A 47 -1.941 1.167 9.365 1.00 52.10 C ATOM 656 O ASP A 47 -1.370 0.081 9.470 1.00 14.22 O ATOM 657 CB ASP A 47 -1.577 2.889 11.144 1.00 10.33 C ATOM 658 CG ASP A 47 -0.514 3.769 11.769 1.00 60.52 C ATOM 659 OD1 ASP A 47 0.177 4.490 11.019 1.00 41.24 O ATOM 660 OD2 ASP A 47 -0.372 3.738 13.010 1.00 2.40 O ATOM 0 H ASP A 47 -2.043 4.318 9.190 1.00 21.32 H new ATOM 0 HA ASP A 47 -0.146 2.290 9.658 1.00 15.24 H new ATOM 0 HB2 ASP A 47 -2.527 3.423 11.134 1.00 10.33 H new ATOM 0 HB3 ASP A 47 -1.718 2.001 11.760 1.00 10.33 H new ATOM 664 N GLN A 48 -3.197 1.288 8.949 1.00 12.42 N ATOM 665 CA GLN A 48 -3.996 0.123 8.582 1.00 23.42 C ATOM 666 C GLN A 48 -4.220 0.071 7.074 1.00 51.43 C ATOM 667 O GLN A 48 -4.606 -0.965 6.531 1.00 22.41 O ATOM 668 CB GLN A 48 -5.341 0.152 9.309 1.00 11.13 C ATOM 669 CG GLN A 48 -5.215 0.333 10.814 1.00 54.51 C ATOM 670 CD GLN A 48 -5.384 1.776 11.244 1.00 71.52 C ATOM 671 OE1 GLN A 48 -4.505 2.352 11.885 1.00 43.10 O ATOM 672 NE2 GLN A 48 -6.520 2.370 10.894 1.00 72.24 N ATOM 0 H GLN A 48 -3.684 2.180 8.857 1.00 12.42 H new ATOM 0 HA GLN A 48 -3.449 -0.771 8.881 1.00 23.42 H new ATOM 0 HB2 GLN A 48 -5.947 0.962 8.903 1.00 11.13 H new ATOM 0 HB3 GLN A 48 -5.874 -0.777 9.106 1.00 11.13 H new ATOM 0 HG2 GLN A 48 -5.964 -0.281 11.314 1.00 54.51 H new ATOM 0 HG3 GLN A 48 -4.239 -0.027 11.139 1.00 54.51 H new ATOM 0 HE21 GLN A 48 -7.222 1.855 10.362 1.00 72.24 H new ATOM 0 HE22 GLN A 48 -6.690 3.341 11.157 1.00 72.24 H new ATOM 679 N GLN A 49 -3.977 1.193 6.405 1.00 2.44 N ATOM 680 CA GLN A 49 -4.154 1.273 4.960 1.00 20.34 C ATOM 681 C GLN A 49 -3.542 0.060 4.268 1.00 51.13 C ATOM 682 O GLN A 49 -2.359 -0.235 4.443 1.00 33.02 O ATOM 683 CB GLN A 49 -3.523 2.557 4.418 1.00 1.32 C ATOM 684 CG GLN A 49 -3.595 2.678 2.904 1.00 2.11 C ATOM 685 CD GLN A 49 -2.286 3.139 2.293 1.00 71.04 C ATOM 686 OE1 GLN A 49 -1.478 2.326 1.842 1.00 0.12 O ATOM 687 NE2 GLN A 49 -2.069 4.448 2.276 1.00 2.14 N ATOM 0 H GLN A 49 -3.657 2.059 6.840 1.00 2.44 H new ATOM 0 HA GLN A 49 -5.224 1.286 4.751 1.00 20.34 H new ATOM 0 HB2 GLN A 49 -4.023 3.415 4.867 1.00 1.32 H new ATOM 0 HB3 GLN A 49 -2.479 2.598 4.728 1.00 1.32 H new ATOM 0 HG2 GLN A 49 -3.870 1.713 2.479 1.00 2.11 H new ATOM 0 HG3 GLN A 49 -4.384 3.381 2.636 1.00 2.11 H new ATOM 0 HE21 GLN A 49 -2.766 5.086 2.661 1.00 2.14 H new ATOM 0 HE22 GLN A 49 -1.205 4.817 1.878 1.00 2.14 H new ATOM 694 N ARG A 50 -4.354 -0.640 3.482 1.00 52.13 N ATOM 695 CA ARG A 50 -3.891 -1.822 2.766 1.00 53.31 C ATOM 696 C ARG A 50 -3.376 -1.451 1.378 1.00 71.41 C ATOM 697 O ARG A 50 -3.580 -0.331 0.908 1.00 62.51 O ATOM 698 CB ARG A 50 -5.022 -2.846 2.644 1.00 15.14 C ATOM 699 CG ARG A 50 -6.165 -2.387 1.754 1.00 33.13 C ATOM 700 CD ARG A 50 -7.300 -3.400 1.736 1.00 62.35 C ATOM 701 NE ARG A 50 -6.838 -4.731 1.350 1.00 64.13 N ATOM 702 CZ ARG A 50 -7.642 -5.783 1.233 1.00 23.11 C ATOM 703 NH1 ARG A 50 -8.940 -5.658 1.469 1.00 14.01 N ATOM 704 NH2 ARG A 50 -7.146 -6.961 0.877 1.00 35.24 N ATOM 0 H ARG A 50 -5.335 -0.409 3.325 1.00 52.13 H new ATOM 0 HA ARG A 50 -3.071 -2.261 3.334 1.00 53.31 H new ATOM 0 HB2 ARG A 50 -4.616 -3.777 2.249 1.00 15.14 H new ATOM 0 HB3 ARG A 50 -5.412 -3.064 3.638 1.00 15.14 H new ATOM 0 HG2 ARG A 50 -6.539 -1.426 2.107 1.00 33.13 H new ATOM 0 HG3 ARG A 50 -5.798 -2.232 0.739 1.00 33.13 H new ATOM 0 HD2 ARG A 50 -7.759 -3.448 2.723 1.00 62.35 H new ATOM 0 HD3 ARG A 50 -8.071 -3.068 1.041 1.00 62.35 H new ATOM 0 HE ARG A 50 -5.844 -4.860 1.160 1.00 64.13 H new ATOM 0 HH11 ARG A 50 -9.324 -4.753 1.741 1.00 14.01 H new ATOM 0 HH12 ARG A 50 -9.555 -6.467 1.379 1.00 14.01 H new ATOM 0 HH21 ARG A 50 -6.148 -7.059 0.693 1.00 35.24 H new ATOM 0 HH22 ARG A 50 -7.763 -7.768 0.787 1.00 35.24 H new ATOM 715 N LEU A 51 -2.708 -2.397 0.728 1.00 21.23 N ATOM 716 CA LEU A 51 -2.164 -2.169 -0.606 1.00 41.04 C ATOM 717 C LEU A 51 -2.606 -3.265 -1.570 1.00 14.14 C ATOM 718 O LEU A 51 -2.550 -4.450 -1.245 1.00 53.54 O ATOM 719 CB LEU A 51 -0.636 -2.110 -0.551 1.00 43.31 C ATOM 720 CG LEU A 51 -0.032 -0.787 -0.078 1.00 11.43 C ATOM 721 CD1 LEU A 51 -0.416 -0.511 1.367 1.00 12.13 C ATOM 722 CD2 LEU A 51 1.481 -0.805 -0.235 1.00 41.51 C ATOM 0 H LEU A 51 -2.530 -3.329 1.103 1.00 21.23 H new ATOM 0 HA LEU A 51 -2.547 -1.215 -0.969 1.00 41.04 H new ATOM 0 HB2 LEU A 51 -0.285 -2.903 0.109 1.00 43.31 H new ATOM 0 HB3 LEU A 51 -0.248 -2.329 -1.546 1.00 43.31 H new ATOM 0 HG LEU A 51 -0.432 0.015 -0.698 1.00 11.43 H new ATOM 0 HD11 LEU A 51 0.023 0.434 1.686 1.00 12.13 H new ATOM 0 HD12 LEU A 51 -1.501 -0.454 1.450 1.00 12.13 H new ATOM 0 HD13 LEU A 51 -0.045 -1.316 2.002 1.00 12.13 H new ATOM 0 HD21 LEU A 51 1.894 0.144 0.106 1.00 41.51 H new ATOM 0 HD22 LEU A 51 1.899 -1.617 0.360 1.00 41.51 H new ATOM 0 HD23 LEU A 51 1.736 -0.955 -1.284 1.00 41.51 H new ATOM 733 N ILE A 52 -3.046 -2.859 -2.757 1.00 51.12 N ATOM 734 CA ILE A 52 -3.495 -3.808 -3.769 1.00 35.33 C ATOM 735 C ILE A 52 -2.895 -3.482 -5.132 1.00 25.30 C ATOM 736 O ILE A 52 -3.140 -2.412 -5.691 1.00 41.34 O ATOM 737 CB ILE A 52 -5.031 -3.820 -3.886 1.00 73.12 C ATOM 738 CG1 ILE A 52 -5.649 -4.536 -2.685 1.00 34.52 C ATOM 739 CG2 ILE A 52 -5.458 -4.488 -5.185 1.00 5.14 C ATOM 740 CD1 ILE A 52 -5.616 -3.720 -1.411 1.00 43.43 C ATOM 0 H ILE A 52 -3.101 -1.881 -3.041 1.00 51.12 H new ATOM 0 HA ILE A 52 -3.155 -4.794 -3.451 1.00 35.33 H new ATOM 0 HB ILE A 52 -5.388 -2.790 -3.895 1.00 73.12 H new ATOM 0 HG12 ILE A 52 -6.683 -4.791 -2.917 1.00 34.52 H new ATOM 0 HG13 ILE A 52 -5.119 -5.474 -2.520 1.00 34.52 H new ATOM 0 HG21 ILE A 52 -6.546 -4.489 -5.253 1.00 5.14 H new ATOM 0 HG22 ILE A 52 -5.042 -3.940 -6.030 1.00 5.14 H new ATOM 0 HG23 ILE A 52 -5.093 -5.515 -5.203 1.00 5.14 H new ATOM 0 HD11 ILE A 52 -6.071 -4.291 -0.601 1.00 43.43 H new ATOM 0 HD12 ILE A 52 -4.582 -3.487 -1.155 1.00 43.43 H new ATOM 0 HD13 ILE A 52 -6.171 -2.793 -1.558 1.00 43.43 H new ATOM 751 N PHE A 53 -2.109 -4.412 -5.664 1.00 25.44 N ATOM 752 CA PHE A 53 -1.473 -4.224 -6.964 1.00 71.32 C ATOM 753 C PHE A 53 -1.710 -5.434 -7.864 1.00 24.34 C ATOM 754 O PHE A 53 -1.227 -6.530 -7.588 1.00 65.15 O ATOM 755 CB PHE A 53 0.028 -3.989 -6.791 1.00 65.23 C ATOM 756 CG PHE A 53 0.802 -4.088 -8.075 1.00 72.03 C ATOM 757 CD1 PHE A 53 0.359 -3.442 -9.218 1.00 45.01 C ATOM 758 CD2 PHE A 53 1.972 -4.828 -8.139 1.00 22.13 C ATOM 759 CE1 PHE A 53 1.068 -3.533 -10.400 1.00 43.30 C ATOM 760 CE2 PHE A 53 2.686 -4.923 -9.319 1.00 21.14 C ATOM 761 CZ PHE A 53 2.234 -4.273 -10.451 1.00 32.11 C ATOM 0 H PHE A 53 -1.897 -5.303 -5.216 1.00 25.44 H new ATOM 0 HA PHE A 53 -1.918 -3.348 -7.436 1.00 71.32 H new ATOM 0 HB2 PHE A 53 0.185 -3.002 -6.356 1.00 65.23 H new ATOM 0 HB3 PHE A 53 0.422 -4.716 -6.081 1.00 65.23 H new ATOM 0 HD1 PHE A 53 -0.551 -2.861 -9.184 1.00 45.01 H new ATOM 0 HD2 PHE A 53 2.330 -5.337 -7.256 1.00 22.13 H new ATOM 0 HE1 PHE A 53 0.711 -3.026 -11.284 1.00 43.30 H new ATOM 0 HE2 PHE A 53 3.595 -5.504 -9.356 1.00 21.14 H new ATOM 0 HZ PHE A 53 2.791 -4.343 -11.374 1.00 32.11 H new ATOM 770 N ALA A 54 -2.458 -5.223 -8.942 1.00 41.20 N ATOM 771 CA ALA A 54 -2.759 -6.293 -9.884 1.00 61.01 C ATOM 772 C ALA A 54 -3.385 -7.489 -9.175 1.00 74.03 C ATOM 773 O ALA A 54 -3.187 -8.635 -9.576 1.00 13.33 O ATOM 774 CB ALA A 54 -1.496 -6.717 -10.622 1.00 35.13 C ATOM 0 H ALA A 54 -2.867 -4.320 -9.184 1.00 41.20 H new ATOM 0 HA ALA A 54 -3.481 -5.914 -10.608 1.00 61.01 H new ATOM 0 HB1 ALA A 54 -1.735 -7.517 -11.323 1.00 35.13 H new ATOM 0 HB2 ALA A 54 -1.091 -5.865 -11.168 1.00 35.13 H new ATOM 0 HB3 ALA A 54 -0.757 -7.072 -9.904 1.00 35.13 H new ATOM 780 N GLY A 55 -4.142 -7.214 -8.117 1.00 10.30 N ATOM 781 CA GLY A 55 -4.786 -8.278 -7.369 1.00 63.52 C ATOM 782 C GLY A 55 -3.921 -8.793 -6.235 1.00 75.43 C ATOM 783 O GLY A 55 -4.413 -9.456 -5.321 1.00 63.32 O ATOM 0 H GLY A 55 -4.321 -6.274 -7.765 1.00 10.30 H new ATOM 0 HA2 GLY A 55 -5.731 -7.914 -6.965 1.00 63.52 H new ATOM 0 HA3 GLY A 55 -5.023 -9.101 -8.044 1.00 63.52 H new ATOM 787 N LYS A 56 -2.630 -8.491 -6.293 1.00 5.21 N ATOM 788 CA LYS A 56 -1.693 -8.928 -5.264 1.00 50.51 C ATOM 789 C LYS A 56 -1.441 -7.817 -4.250 1.00 21.21 C ATOM 790 O LYS A 56 -1.046 -6.710 -4.615 1.00 60.01 O ATOM 791 CB LYS A 56 -0.370 -9.362 -5.901 1.00 34.44 C ATOM 792 CG LYS A 56 0.592 -10.010 -4.920 1.00 25.23 C ATOM 793 CD LYS A 56 2.027 -9.935 -5.416 1.00 73.14 C ATOM 794 CE LYS A 56 2.246 -10.831 -6.625 1.00 23.32 C ATOM 795 NZ LYS A 56 3.678 -10.869 -7.034 1.00 53.13 N ATOM 0 H LYS A 56 -2.207 -7.944 -7.043 1.00 5.21 H new ATOM 0 HA LYS A 56 -2.134 -9.778 -4.743 1.00 50.51 H new ATOM 0 HB2 LYS A 56 -0.578 -10.062 -6.710 1.00 34.44 H new ATOM 0 HB3 LYS A 56 0.111 -8.492 -6.348 1.00 34.44 H new ATOM 0 HG2 LYS A 56 0.514 -9.515 -3.952 1.00 25.23 H new ATOM 0 HG3 LYS A 56 0.312 -11.053 -4.769 1.00 25.23 H new ATOM 0 HD2 LYS A 56 2.270 -8.905 -5.677 1.00 73.14 H new ATOM 0 HD3 LYS A 56 2.706 -10.230 -4.616 1.00 73.14 H new ATOM 0 HE2 LYS A 56 1.907 -11.841 -6.395 1.00 23.32 H new ATOM 0 HE3 LYS A 56 1.640 -10.473 -7.457 1.00 23.32 H new ATOM 0 HZ1 LYS A 56 3.786 -11.490 -7.861 1.00 53.13 H new ATOM 0 HZ2 LYS A 56 3.995 -9.909 -7.278 1.00 53.13 H new ATOM 0 HZ3 LYS A 56 4.254 -11.235 -6.249 1.00 53.13 H new ATOM 805 N GLN A 57 -1.671 -8.121 -2.977 1.00 33.04 N ATOM 806 CA GLN A 57 -1.468 -7.147 -1.911 1.00 14.13 C ATOM 807 C GLN A 57 -0.032 -7.191 -1.400 1.00 22.11 C ATOM 808 O GLN A 57 0.671 -8.188 -1.575 1.00 33.43 O ATOM 809 CB GLN A 57 -2.440 -7.411 -0.759 1.00 3.04 C ATOM 810 CG GLN A 57 -1.959 -8.478 0.210 1.00 20.10 C ATOM 811 CD GLN A 57 -1.707 -9.810 -0.468 1.00 43.14 C ATOM 812 OE1 GLN A 57 -2.553 -10.314 -1.207 1.00 2.30 O ATOM 813 NE2 GLN A 57 -0.537 -10.389 -0.218 1.00 13.45 N ATOM 0 H GLN A 57 -1.998 -9.033 -2.659 1.00 33.04 H new ATOM 0 HA GLN A 57 -1.659 -6.154 -2.319 1.00 14.13 H new ATOM 0 HB2 GLN A 57 -2.603 -6.482 -0.212 1.00 3.04 H new ATOM 0 HB3 GLN A 57 -3.404 -7.713 -1.170 1.00 3.04 H new ATOM 0 HG2 GLN A 57 -1.041 -8.140 0.691 1.00 20.10 H new ATOM 0 HG3 GLN A 57 -2.701 -8.610 0.997 1.00 20.10 H new ATOM 0 HE21 GLN A 57 0.135 -9.935 0.401 1.00 13.45 H new ATOM 0 HE22 GLN A 57 -0.311 -11.287 -0.645 1.00 13.45 H new ATOM 820 N LEU A 58 0.399 -6.104 -0.769 1.00 3.14 N ATOM 821 CA LEU A 58 1.753 -6.018 -0.233 1.00 5.41 C ATOM 822 C LEU A 58 1.728 -5.787 1.274 1.00 24.34 C ATOM 823 O LEU A 58 0.679 -5.891 1.910 1.00 51.44 O ATOM 824 CB LEU A 58 2.524 -4.890 -0.921 1.00 11.04 C ATOM 825 CG LEU A 58 2.494 -4.891 -2.450 1.00 15.31 C ATOM 826 CD1 LEU A 58 1.245 -4.188 -2.959 1.00 2.44 C ATOM 827 CD2 LEU A 58 3.746 -4.231 -3.009 1.00 72.34 C ATOM 0 H LEU A 58 -0.169 -5.271 -0.616 1.00 3.14 H new ATOM 0 HA LEU A 58 2.256 -6.965 -0.428 1.00 5.41 H new ATOM 0 HB2 LEU A 58 2.125 -3.938 -0.570 1.00 11.04 H new ATOM 0 HB3 LEU A 58 3.564 -4.938 -0.598 1.00 11.04 H new ATOM 0 HG LEU A 58 2.470 -5.925 -2.793 1.00 15.31 H new ATOM 0 HD11 LEU A 58 1.240 -4.198 -4.049 1.00 2.44 H new ATOM 0 HD12 LEU A 58 0.360 -4.704 -2.588 1.00 2.44 H new ATOM 0 HD13 LEU A 58 1.238 -3.157 -2.606 1.00 2.44 H new ATOM 0 HD21 LEU A 58 3.707 -4.241 -4.098 1.00 72.34 H new ATOM 0 HD22 LEU A 58 3.802 -3.201 -2.657 1.00 72.34 H new ATOM 0 HD23 LEU A 58 4.627 -4.778 -2.672 1.00 72.34 H new ATOM 890 N THR A 63 10.113 2.166 -1.083 1.00 64.33 N ATOM 891 CA THR A 63 9.803 3.021 -2.221 1.00 25.12 C ATOM 892 C THR A 63 9.570 2.196 -3.481 1.00 53.54 C ATOM 893 O THR A 63 9.974 1.034 -3.558 1.00 44.10 O ATOM 894 CB THR A 63 10.933 4.034 -2.487 1.00 33.23 C ATOM 895 OG1 THR A 63 12.091 3.357 -2.987 1.00 62.22 O ATOM 896 CG2 THR A 63 11.291 4.792 -1.217 1.00 14.14 C ATOM 0 HA THR A 63 8.891 3.562 -1.970 1.00 25.12 H new ATOM 0 HB THR A 63 10.582 4.749 -3.231 1.00 33.23 H new ATOM 0 HG1 THR A 63 12.804 4.008 -3.155 1.00 62.22 H new ATOM 0 HG21 THR A 63 12.091 5.501 -1.430 1.00 14.14 H new ATOM 0 HG22 THR A 63 10.415 5.331 -0.856 1.00 14.14 H new ATOM 0 HG23 THR A 63 11.624 4.088 -0.455 1.00 14.14 H new ATOM 904 N LEU A 64 8.917 2.801 -4.467 1.00 45.53 N ATOM 905 CA LEU A 64 8.631 2.121 -5.726 1.00 61.23 C ATOM 906 C LEU A 64 9.898 1.507 -6.313 1.00 41.54 C ATOM 907 O LEU A 64 9.906 0.345 -6.720 1.00 12.33 O ATOM 908 CB LEU A 64 8.013 3.098 -6.727 1.00 44.32 C ATOM 909 CG LEU A 64 6.617 2.742 -7.239 1.00 52.24 C ATOM 910 CD1 LEU A 64 5.558 3.148 -6.226 1.00 72.20 C ATOM 911 CD2 LEU A 64 6.355 3.405 -8.582 1.00 3.22 C ATOM 0 H LEU A 64 8.576 3.761 -4.419 1.00 45.53 H new ATOM 0 HA LEU A 64 7.921 1.319 -5.524 1.00 61.23 H new ATOM 0 HB2 LEU A 64 7.967 4.083 -6.262 1.00 44.32 H new ATOM 0 HB3 LEU A 64 8.682 3.181 -7.584 1.00 44.32 H new ATOM 0 HG LEU A 64 6.566 1.662 -7.375 1.00 52.24 H new ATOM 0 HD11 LEU A 64 4.571 2.887 -6.607 1.00 72.20 H new ATOM 0 HD12 LEU A 64 5.734 2.625 -5.286 1.00 72.20 H new ATOM 0 HD13 LEU A 64 5.609 4.224 -6.057 1.00 72.20 H new ATOM 0 HD21 LEU A 64 5.357 3.140 -8.930 1.00 3.22 H new ATOM 0 HD22 LEU A 64 6.426 4.487 -8.473 1.00 3.22 H new ATOM 0 HD23 LEU A 64 7.094 3.064 -9.307 1.00 3.22 H new ATOM 922 N SER A 65 10.968 2.294 -6.352 1.00 11.40 N ATOM 923 CA SER A 65 12.241 1.828 -6.891 1.00 13.01 C ATOM 924 C SER A 65 12.895 0.824 -5.947 1.00 44.33 C ATOM 925 O SER A 65 13.620 -0.070 -6.382 1.00 55.34 O ATOM 926 CB SER A 65 13.182 3.011 -7.129 1.00 14.12 C ATOM 927 OG SER A 65 14.155 2.699 -8.111 1.00 44.13 O ATOM 0 H SER A 65 10.979 3.257 -6.017 1.00 11.40 H new ATOM 0 HA SER A 65 12.046 1.332 -7.842 1.00 13.01 H new ATOM 0 HB2 SER A 65 12.606 3.880 -7.447 1.00 14.12 H new ATOM 0 HB3 SER A 65 13.676 3.280 -6.196 1.00 14.12 H new ATOM 0 HG SER A 65 14.743 3.471 -8.246 1.00 44.13 H new ATOM 932 N GLU A 66 12.635 0.981 -4.653 1.00 64.30 N ATOM 933 CA GLU A 66 13.200 0.090 -3.647 1.00 2.53 C ATOM 934 C GLU A 66 12.586 -1.303 -3.748 1.00 34.45 C ATOM 935 O GLU A 66 13.280 -2.311 -3.619 1.00 1.45 O ATOM 936 CB GLU A 66 12.975 0.659 -2.245 1.00 13.30 C ATOM 937 CG GLU A 66 14.073 1.604 -1.788 1.00 30.44 C ATOM 938 CD GLU A 66 15.372 0.886 -1.481 1.00 31.15 C ATOM 939 OE1 GLU A 66 15.487 -0.307 -1.828 1.00 71.23 O ATOM 940 OE2 GLU A 66 16.274 1.519 -0.893 1.00 31.30 O ATOM 0 H GLU A 66 12.037 1.717 -4.277 1.00 64.30 H new ATOM 0 HA GLU A 66 14.271 0.010 -3.830 1.00 2.53 H new ATOM 0 HB2 GLU A 66 12.022 1.187 -2.225 1.00 13.30 H new ATOM 0 HB3 GLU A 66 12.898 -0.165 -1.536 1.00 13.30 H new ATOM 0 HG2 GLU A 66 14.250 2.351 -2.562 1.00 30.44 H new ATOM 0 HG3 GLU A 66 13.739 2.139 -0.899 1.00 30.44 H new ATOM 945 N TYR A 67 11.278 -1.351 -3.979 1.00 63.33 N ATOM 946 CA TYR A 67 10.567 -2.619 -4.094 1.00 64.23 C ATOM 947 C TYR A 67 10.497 -3.073 -5.549 1.00 74.32 C ATOM 948 O TYR A 67 9.961 -4.139 -5.852 1.00 21.33 O ATOM 949 CB TYR A 67 9.156 -2.492 -3.518 1.00 63.30 C ATOM 950 CG TYR A 67 8.778 -3.622 -2.588 1.00 51.11 C ATOM 951 CD1 TYR A 67 9.597 -3.975 -1.523 1.00 54.20 C ATOM 952 CD2 TYR A 67 7.600 -4.335 -2.774 1.00 0.51 C ATOM 953 CE1 TYR A 67 9.255 -5.009 -0.672 1.00 33.54 C ATOM 954 CE2 TYR A 67 7.249 -5.368 -1.927 1.00 52.53 C ATOM 955 CZ TYR A 67 8.079 -5.702 -0.878 1.00 63.41 C ATOM 956 OH TYR A 67 7.735 -6.730 -0.031 1.00 14.42 O ATOM 0 H TYR A 67 10.689 -0.526 -4.090 1.00 63.33 H new ATOM 0 HA TYR A 67 11.117 -3.368 -3.524 1.00 64.23 H new ATOM 0 HB2 TYR A 67 9.076 -1.547 -2.980 1.00 63.30 H new ATOM 0 HB3 TYR A 67 8.440 -2.453 -4.339 1.00 63.30 H new ATOM 0 HD1 TYR A 67 10.516 -3.433 -1.357 1.00 54.20 H new ATOM 0 HD2 TYR A 67 6.948 -4.077 -3.595 1.00 0.51 H new ATOM 0 HE1 TYR A 67 9.904 -5.273 0.150 1.00 33.54 H new ATOM 0 HE2 TYR A 67 6.329 -5.911 -2.086 1.00 52.53 H new ATOM 0 HH TYR A 67 6.878 -7.113 -0.313 1.00 14.42 H new ATOM 965 N ASN A 68 11.041 -2.255 -6.445 1.00 55.12 N ATOM 966 CA ASN A 68 11.040 -2.572 -7.868 1.00 14.21 C ATOM 967 C ASN A 68 9.633 -2.917 -8.347 1.00 42.20 C ATOM 968 O ASN A 68 9.449 -3.820 -9.165 1.00 65.40 O ATOM 969 CB ASN A 68 11.988 -3.739 -8.154 1.00 33.31 C ATOM 970 CG ASN A 68 12.397 -3.808 -9.612 1.00 14.34 C ATOM 971 OD1 ASN A 68 11.981 -4.709 -10.342 1.00 22.20 O ATOM 972 ND2 ASN A 68 13.215 -2.856 -10.044 1.00 32.31 N ATOM 0 H ASN A 68 11.488 -1.369 -6.210 1.00 55.12 H new ATOM 0 HA ASN A 68 11.385 -1.692 -8.411 1.00 14.21 H new ATOM 0 HB2 ASN A 68 12.879 -3.640 -7.534 1.00 33.31 H new ATOM 0 HB3 ASN A 68 11.505 -4.674 -7.871 1.00 33.31 H new ATOM 0 HD21 ASN A 68 13.524 -2.851 -11.016 1.00 32.31 H new ATOM 0 HD22 ASN A 68 13.535 -2.129 -9.404 1.00 32.31 H new ATOM 978 N ILE A 69 8.645 -2.192 -7.834 1.00 10.31 N ATOM 979 CA ILE A 69 7.255 -2.420 -8.211 1.00 63.24 C ATOM 980 C ILE A 69 6.786 -1.386 -9.229 1.00 13.12 C ATOM 981 O ILE A 69 7.392 -0.326 -9.375 1.00 72.22 O ATOM 982 CB ILE A 69 6.325 -2.376 -6.985 1.00 13.02 C ATOM 983 CG1 ILE A 69 6.570 -1.101 -6.176 1.00 13.24 C ATOM 984 CG2 ILE A 69 6.534 -3.608 -6.117 1.00 53.34 C ATOM 985 CD1 ILE A 69 5.610 -0.923 -5.022 1.00 35.21 C ATOM 0 H ILE A 69 8.781 -1.442 -7.156 1.00 10.31 H new ATOM 0 HA ILE A 69 7.207 -3.413 -8.657 1.00 63.24 H new ATOM 0 HB ILE A 69 5.292 -2.370 -7.332 1.00 13.02 H new ATOM 0 HG12 ILE A 69 7.590 -1.115 -5.791 1.00 13.24 H new ATOM 0 HG13 ILE A 69 6.492 -0.239 -6.839 1.00 13.24 H new ATOM 0 HG21 ILE A 69 5.869 -3.562 -5.254 1.00 53.34 H new ATOM 0 HG22 ILE A 69 6.314 -4.504 -6.698 1.00 53.34 H new ATOM 0 HG23 ILE A 69 7.569 -3.642 -5.776 1.00 53.34 H new ATOM 0 HD11 ILE A 69 5.843 0.001 -4.494 1.00 35.21 H new ATOM 0 HD12 ILE A 69 4.589 -0.876 -5.402 1.00 35.21 H new ATOM 0 HD13 ILE A 69 5.704 -1.766 -4.337 1.00 35.21 H new ATOM 996 N GLN A 70 5.701 -1.704 -9.929 1.00 33.21 N ATOM 997 CA GLN A 70 5.148 -0.802 -10.932 1.00 63.40 C ATOM 998 C GLN A 70 4.438 0.376 -10.273 1.00 33.04 C ATOM 999 O GLN A 70 4.971 1.484 -10.216 1.00 71.45 O ATOM 1000 CB GLN A 70 4.178 -1.552 -11.845 1.00 14.44 C ATOM 1001 CG GLN A 70 4.787 -1.960 -13.177 1.00 24.41 C ATOM 1002 CD GLN A 70 4.002 -3.058 -13.867 1.00 73.14 C ATOM 1003 OE1 GLN A 70 2.775 -2.998 -13.958 1.00 44.13 O ATOM 1004 NE2 GLN A 70 4.707 -4.072 -14.356 1.00 2.31 N ATOM 0 H GLN A 70 5.188 -2.579 -9.820 1.00 33.21 H new ATOM 0 HA GLN A 70 5.973 -0.416 -11.531 1.00 63.40 H new ATOM 0 HB2 GLN A 70 3.823 -2.444 -11.329 1.00 14.44 H new ATOM 0 HB3 GLN A 70 3.307 -0.923 -12.031 1.00 14.44 H new ATOM 0 HG2 GLN A 70 4.837 -1.089 -13.831 1.00 24.41 H new ATOM 0 HG3 GLN A 70 5.811 -2.297 -13.016 1.00 24.41 H new ATOM 0 HE21 GLN A 70 5.722 -4.081 -14.258 1.00 2.31 H new ATOM 0 HE22 GLN A 70 4.233 -4.841 -14.829 1.00 2.31 H new ATOM 1011 N LYS A 71 3.230 0.129 -9.778 1.00 63.44 N ATOM 1012 CA LYS A 71 2.445 1.168 -9.122 1.00 73.42 C ATOM 1013 C LYS A 71 2.336 2.407 -10.004 1.00 10.23 C ATOM 1014 O LYS A 71 2.142 3.517 -9.510 1.00 71.15 O ATOM 1015 CB LYS A 71 3.075 1.540 -7.777 1.00 22.12 C ATOM 1016 CG LYS A 71 2.176 2.392 -6.898 1.00 1.44 C ATOM 1017 CD LYS A 71 2.042 1.807 -5.503 1.00 34.10 C ATOM 1018 CE LYS A 71 0.840 2.382 -4.770 1.00 60.40 C ATOM 1019 NZ LYS A 71 1.070 3.792 -4.349 1.00 60.33 N ATOM 0 H LYS A 71 2.773 -0.782 -9.819 1.00 63.44 H new ATOM 0 HA LYS A 71 1.442 0.776 -8.951 1.00 73.42 H new ATOM 0 HB2 LYS A 71 3.333 0.626 -7.241 1.00 22.12 H new ATOM 0 HB3 LYS A 71 4.006 2.077 -7.958 1.00 22.12 H new ATOM 0 HG2 LYS A 71 2.581 3.402 -6.832 1.00 1.44 H new ATOM 0 HG3 LYS A 71 1.190 2.473 -7.355 1.00 1.44 H new ATOM 0 HD2 LYS A 71 1.944 0.723 -5.570 1.00 34.10 H new ATOM 0 HD3 LYS A 71 2.949 2.011 -4.933 1.00 34.10 H new ATOM 0 HE2 LYS A 71 -0.036 2.334 -5.416 1.00 60.40 H new ATOM 0 HE3 LYS A 71 0.623 1.772 -3.893 1.00 60.40 H new ATOM 0 HZ1 LYS A 71 0.720 3.926 -3.379 1.00 60.33 H new ATOM 0 HZ2 LYS A 71 2.088 4.003 -4.383 1.00 60.33 H new ATOM 0 HZ3 LYS A 71 0.562 4.433 -4.991 1.00 60.33 H new ATOM 1029 N GLU A 72 2.460 2.208 -11.313 1.00 61.54 N ATOM 1030 CA GLU A 72 2.375 3.311 -12.263 1.00 13.11 C ATOM 1031 C GLU A 72 1.245 3.081 -13.263 1.00 12.35 C ATOM 1032 O GLU A 72 1.309 3.538 -14.405 1.00 54.14 O ATOM 1033 CB GLU A 72 3.702 3.477 -13.006 1.00 41.31 C ATOM 1034 CG GLU A 72 4.865 3.844 -12.099 1.00 61.22 C ATOM 1035 CD GLU A 72 6.145 3.122 -12.472 1.00 51.12 C ATOM 1036 OE1 GLU A 72 6.073 1.917 -12.796 1.00 23.22 O ATOM 1037 OE2 GLU A 72 7.219 3.760 -12.438 1.00 34.15 O ATOM 0 H GLU A 72 2.619 1.295 -11.739 1.00 61.54 H new ATOM 0 HA GLU A 72 2.163 4.223 -11.704 1.00 13.11 H new ATOM 0 HB2 GLU A 72 3.937 2.548 -13.526 1.00 41.31 H new ATOM 0 HB3 GLU A 72 3.588 4.249 -13.768 1.00 41.31 H new ATOM 0 HG2 GLU A 72 5.032 4.920 -12.146 1.00 61.22 H new ATOM 0 HG3 GLU A 72 4.606 3.606 -11.067 1.00 61.22 H new ATOM 1042 N SER A 73 0.211 2.369 -12.826 1.00 43.44 N ATOM 1043 CA SER A 73 -0.931 2.073 -13.683 1.00 10.20 C ATOM 1044 C SER A 73 -2.237 2.173 -12.902 1.00 75.14 C ATOM 1045 O SER A 73 -2.933 3.187 -12.958 1.00 62.00 O ATOM 1046 CB SER A 73 -0.792 0.676 -14.290 1.00 42.04 C ATOM 1047 OG SER A 73 0.173 0.663 -15.328 1.00 24.53 O ATOM 0 H SER A 73 0.141 1.986 -11.883 1.00 43.44 H new ATOM 0 HA SER A 73 -0.951 2.810 -14.486 1.00 10.20 H new ATOM 0 HB2 SER A 73 -0.505 -0.034 -13.514 1.00 42.04 H new ATOM 0 HB3 SER A 73 -1.755 0.349 -14.681 1.00 42.04 H new ATOM 0 HG SER A 73 0.244 -0.242 -15.698 1.00 24.53 H new ATOM 1052 N THR A 74 -2.565 1.112 -12.171 1.00 62.04 N ATOM 1053 CA THR A 74 -3.787 1.077 -11.378 1.00 73.55 C ATOM 1054 C THR A 74 -3.529 0.491 -9.995 1.00 61.32 C ATOM 1055 O THR A 74 -3.252 -0.701 -9.855 1.00 45.51 O ATOM 1056 CB THR A 74 -4.886 0.253 -12.075 1.00 40.11 C ATOM 1057 OG1 THR A 74 -4.574 0.097 -13.464 1.00 33.23 O ATOM 1058 CG2 THR A 74 -6.242 0.925 -11.925 1.00 12.42 C ATOM 0 H THR A 74 -2.000 0.265 -12.112 1.00 62.04 H new ATOM 0 HA THR A 74 -4.126 2.108 -11.275 1.00 73.55 H new ATOM 0 HB THR A 74 -4.931 -0.728 -11.602 1.00 40.11 H new ATOM 0 HG1 THR A 74 -5.276 -0.429 -13.900 1.00 33.23 H new ATOM 0 HG21 THR A 74 -7.003 0.325 -12.425 1.00 12.42 H new ATOM 0 HG22 THR A 74 -6.488 1.015 -10.867 1.00 12.42 H new ATOM 0 HG23 THR A 74 -6.208 1.917 -12.375 1.00 12.42 H new ATOM 1066 N LEU A 75 -3.622 1.335 -8.973 1.00 31.30 N ATOM 1067 CA LEU A 75 -3.399 0.900 -7.598 1.00 2.14 C ATOM 1068 C LEU A 75 -4.537 1.357 -6.692 1.00 71.52 C ATOM 1069 O LEU A 75 -5.022 2.483 -6.805 1.00 13.35 O ATOM 1070 CB LEU A 75 -2.068 1.446 -7.079 1.00 63.40 C ATOM 1071 CG LEU A 75 -0.944 0.424 -6.906 1.00 14.20 C ATOM 1072 CD1 LEU A 75 -1.135 -0.367 -5.621 1.00 23.11 C ATOM 1073 CD2 LEU A 75 -0.884 -0.511 -8.105 1.00 2.45 C ATOM 0 H LEU A 75 -3.850 2.324 -9.070 1.00 31.30 H new ATOM 0 HA LEU A 75 -3.366 -0.189 -7.588 1.00 2.14 H new ATOM 0 HB2 LEU A 75 -1.725 2.221 -7.764 1.00 63.40 H new ATOM 0 HB3 LEU A 75 -2.246 1.927 -6.117 1.00 63.40 H new ATOM 0 HG LEU A 75 0.002 0.961 -6.841 1.00 14.20 H new ATOM 0 HD11 LEU A 75 -0.326 -1.089 -5.515 1.00 23.11 H new ATOM 0 HD12 LEU A 75 -1.128 0.314 -4.770 1.00 23.11 H new ATOM 0 HD13 LEU A 75 -2.089 -0.893 -5.656 1.00 23.11 H new ATOM 0 HD21 LEU A 75 -0.078 -1.232 -7.965 1.00 2.45 H new ATOM 0 HD22 LEU A 75 -1.832 -1.041 -8.201 1.00 2.45 H new ATOM 0 HD23 LEU A 75 -0.699 0.069 -9.009 1.00 2.45 H new ATOM 1084 N HIS A 76 -4.957 0.477 -5.788 1.00 51.20 N ATOM 1085 CA HIS A 76 -6.036 0.790 -4.859 1.00 31.35 C ATOM 1086 C HIS A 76 -5.635 0.455 -3.427 1.00 71.53 C ATOM 1087 O HIS A 76 -5.462 -0.714 -3.076 1.00 62.32 O ATOM 1088 CB HIS A 76 -7.304 0.024 -5.239 1.00 53.34 C ATOM 1089 CG HIS A 76 -8.121 -0.404 -4.059 1.00 32.24 C ATOM 1090 ND1 HIS A 76 -8.535 0.469 -3.074 1.00 12.44 N ATOM 1091 CD2 HIS A 76 -8.604 -1.619 -3.709 1.00 33.20 C ATOM 1092 CE1 HIS A 76 -9.235 -0.191 -2.170 1.00 31.32 C ATOM 1093 NE2 HIS A 76 -9.293 -1.460 -2.531 1.00 3.23 N ATOM 0 H HIS A 76 -4.566 -0.459 -5.680 1.00 51.20 H new ATOM 0 HA HIS A 76 -6.235 1.860 -4.920 1.00 31.35 H new ATOM 0 HB2 HIS A 76 -7.917 0.651 -5.887 1.00 53.34 H new ATOM 0 HB3 HIS A 76 -7.027 -0.857 -5.818 1.00 53.34 H new ATOM 0 HD2 HIS A 76 -8.472 -2.542 -4.254 1.00 33.20 H new ATOM 0 HE1 HIS A 76 -9.684 0.235 -1.285 1.00 31.32 H new ATOM 0 HE2 HIS A 76 -9.771 -2.201 -2.019 1.00 3.23 H new ATOM 1100 N LEU A 77 -5.486 1.486 -2.601 1.00 13.42 N ATOM 1101 CA LEU A 77 -5.104 1.301 -1.206 1.00 42.41 C ATOM 1102 C LEU A 77 -6.061 2.040 -0.277 1.00 63.41 C ATOM 1103 O LEU A 77 -5.864 3.218 0.025 1.00 51.25 O ATOM 1104 CB LEU A 77 -3.673 1.791 -0.979 1.00 2.24 C ATOM 1105 CG LEU A 77 -3.321 3.143 -1.602 1.00 42.43 C ATOM 1106 CD1 LEU A 77 -3.221 4.216 -0.529 1.00 51.53 C ATOM 1107 CD2 LEU A 77 -2.019 3.047 -2.385 1.00 12.51 C ATOM 0 H LEU A 77 -5.624 2.459 -2.874 1.00 13.42 H new ATOM 0 HA LEU A 77 -5.157 0.236 -0.979 1.00 42.41 H new ATOM 0 HB2 LEU A 77 -3.497 1.851 0.095 1.00 2.24 H new ATOM 0 HB3 LEU A 77 -2.987 1.042 -1.373 1.00 2.24 H new ATOM 0 HG LEU A 77 -4.118 3.421 -2.292 1.00 42.43 H new ATOM 0 HD11 LEU A 77 -2.970 5.171 -0.991 1.00 51.53 H new ATOM 0 HD12 LEU A 77 -4.176 4.304 -0.012 1.00 51.53 H new ATOM 0 HD13 LEU A 77 -2.445 3.944 0.186 1.00 51.53 H new ATOM 0 HD21 LEU A 77 -1.784 4.018 -2.821 1.00 12.51 H new ATOM 0 HD22 LEU A 77 -1.213 2.746 -1.716 1.00 12.51 H new ATOM 0 HD23 LEU A 77 -2.126 2.309 -3.180 1.00 12.51 H new ATOM 1118 N VAL A 78 -7.097 1.342 0.176 1.00 51.34 N ATOM 1119 CA VAL A 78 -8.082 1.930 1.075 1.00 24.34 C ATOM 1120 C VAL A 78 -8.694 0.874 1.988 1.00 51.43 C ATOM 1121 O VAL A 78 -9.206 -0.145 1.522 1.00 11.22 O ATOM 1122 CB VAL A 78 -9.209 2.629 0.291 1.00 24.21 C ATOM 1123 CG1 VAL A 78 -10.118 3.399 1.236 1.00 32.22 C ATOM 1124 CG2 VAL A 78 -8.626 3.551 -0.770 1.00 32.11 C ATOM 0 H VAL A 78 -7.276 0.367 -0.065 1.00 51.34 H new ATOM 0 HA VAL A 78 -7.556 2.669 1.680 1.00 24.34 H new ATOM 0 HB VAL A 78 -9.807 1.867 -0.210 1.00 24.21 H new ATOM 0 HG11 VAL A 78 -10.908 3.886 0.665 1.00 32.22 H new ATOM 0 HG12 VAL A 78 -10.562 2.711 1.955 1.00 32.22 H new ATOM 0 HG13 VAL A 78 -9.536 4.153 1.767 1.00 32.22 H new ATOM 0 HG21 VAL A 78 -9.436 4.037 -1.315 1.00 32.11 H new ATOM 0 HG22 VAL A 78 -8.004 4.308 -0.292 1.00 32.11 H new ATOM 0 HG23 VAL A 78 -8.020 2.969 -1.464 1.00 32.11 H new ATOM 1134 N LEU A 79 -8.637 1.123 3.292 1.00 34.13 N ATOM 1135 CA LEU A 79 -9.186 0.194 4.273 1.00 40.54 C ATOM 1136 C LEU A 79 -10.382 0.806 4.995 1.00 1.24 C ATOM 1137 O LEU A 79 -10.233 1.748 5.773 1.00 31.25 O ATOM 1138 CB LEU A 79 -8.112 -0.202 5.288 1.00 24.02 C ATOM 1139 CG LEU A 79 -8.420 -1.426 6.150 1.00 15.43 C ATOM 1140 CD1 LEU A 79 -8.619 -2.656 5.278 1.00 75.33 C ATOM 1141 CD2 LEU A 79 -7.308 -1.660 7.161 1.00 50.52 C ATOM 0 H LEU A 79 -8.216 1.961 3.694 1.00 34.13 H new ATOM 0 HA LEU A 79 -9.522 -0.697 3.743 1.00 40.54 H new ATOM 0 HB2 LEU A 79 -7.183 -0.387 4.749 1.00 24.02 H new ATOM 0 HB3 LEU A 79 -7.934 0.647 5.948 1.00 24.02 H new ATOM 0 HG LEU A 79 -9.345 -1.239 6.695 1.00 15.43 H new ATOM 0 HD11 LEU A 79 -8.837 -3.518 5.909 1.00 75.33 H new ATOM 0 HD12 LEU A 79 -9.451 -2.487 4.594 1.00 75.33 H new ATOM 0 HD13 LEU A 79 -7.712 -2.846 4.705 1.00 75.33 H new ATOM 0 HD21 LEU A 79 -7.544 -2.535 7.766 1.00 50.52 H new ATOM 0 HD22 LEU A 79 -6.367 -1.825 6.636 1.00 50.52 H new ATOM 0 HD23 LEU A 79 -7.214 -0.787 7.807 1.00 50.52 H new ATOM 1152 N ARG A 80 -11.567 0.264 4.732 1.00 43.03 N ATOM 1153 CA ARG A 80 -12.788 0.758 5.357 1.00 31.10 C ATOM 1154 C ARG A 80 -12.883 2.277 5.240 1.00 53.42 C ATOM 1155 O ARG A 80 -12.538 3.004 6.172 1.00 75.42 O ATOM 1156 CB ARG A 80 -12.836 0.344 6.829 1.00 52.22 C ATOM 1157 CG ARG A 80 -14.089 0.810 7.552 1.00 53.50 C ATOM 1158 CD ARG A 80 -13.759 1.415 8.906 1.00 64.31 C ATOM 1159 NE ARG A 80 -13.446 0.393 9.901 1.00 64.53 N ATOM 1160 CZ ARG A 80 -14.368 -0.335 10.522 1.00 10.43 C ATOM 1161 NH1 ARG A 80 -15.653 -0.155 10.250 1.00 65.32 N ATOM 1162 NH2 ARG A 80 -14.004 -1.246 11.415 1.00 51.12 N ATOM 0 H ARG A 80 -11.707 -0.517 4.091 1.00 43.03 H new ATOM 0 HA ARG A 80 -13.638 0.318 4.835 1.00 31.10 H new ATOM 0 HB2 ARG A 80 -12.772 -0.742 6.894 1.00 52.22 H new ATOM 0 HB3 ARG A 80 -11.961 0.747 7.340 1.00 52.22 H new ATOM 0 HG2 ARG A 80 -14.610 1.547 6.941 1.00 53.50 H new ATOM 0 HG3 ARG A 80 -14.768 -0.032 7.685 1.00 53.50 H new ATOM 0 HD2 ARG A 80 -12.911 2.092 8.803 1.00 64.31 H new ATOM 0 HD3 ARG A 80 -14.603 2.011 9.252 1.00 64.31 H new ATOM 0 HE ARG A 80 -12.466 0.229 10.132 1.00 64.53 H new ATOM 0 HH11 ARG A 80 -15.936 0.544 9.563 1.00 65.32 H new ATOM 0 HH12 ARG A 80 -16.359 -0.715 10.728 1.00 65.32 H new ATOM 0 HH21 ARG A 80 -13.016 -1.388 11.625 1.00 51.12 H new ATOM 0 HH22 ARG A 80 -14.712 -1.805 11.891 1.00 51.12 H new ATOM 1173 N LEU A 81 -13.353 2.747 4.091 1.00 25.34 N ATOM 1174 CA LEU A 81 -13.494 4.180 3.852 1.00 44.42 C ATOM 1175 C LEU A 81 -14.575 4.778 4.746 1.00 61.12 C ATOM 1176 O LEU A 81 -14.733 5.997 4.816 1.00 41.45 O ATOM 1177 CB LEU A 81 -13.829 4.441 2.382 1.00 61.23 C ATOM 1178 CG LEU A 81 -15.273 4.162 1.963 1.00 32.54 C ATOM 1179 CD1 LEU A 81 -15.707 2.782 2.431 1.00 33.34 C ATOM 1180 CD2 LEU A 81 -16.205 5.232 2.517 1.00 44.41 C ATOM 0 H LEU A 81 -13.643 2.158 3.310 1.00 25.34 H new ATOM 0 HA LEU A 81 -12.545 4.659 4.093 1.00 44.42 H new ATOM 0 HB2 LEU A 81 -13.602 5.483 2.158 1.00 61.23 H new ATOM 0 HB3 LEU A 81 -13.169 3.831 1.766 1.00 61.23 H new ATOM 0 HG LEU A 81 -15.327 4.188 0.875 1.00 32.54 H new ATOM 0 HD11 LEU A 81 -16.737 2.601 2.124 1.00 33.34 H new ATOM 0 HD12 LEU A 81 -15.058 2.027 1.988 1.00 33.34 H new ATOM 0 HD13 LEU A 81 -15.637 2.728 3.517 1.00 33.34 H new ATOM 0 HD21 LEU A 81 -17.228 5.018 2.209 1.00 44.41 H new ATOM 0 HD22 LEU A 81 -16.147 5.237 3.605 1.00 44.41 H new ATOM 0 HD23 LEU A 81 -15.907 6.208 2.133 1.00 44.41 H new