USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0745 X(o=-0.075,f=-0.0045) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : B 41 MET CE :methyl 178:sc= 0 (180deg=-0.00442) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.794 -18.533 -19.462 1.00 0.77 N ATOM 2 CA GLY A 1 130.590 -18.408 -18.592 1.00 0.81 C ATOM 3 C GLY A 1 130.507 -17.058 -17.904 1.00 0.65 C ATOM 4 O GLY A 1 130.111 -16.066 -18.519 1.00 0.70 O ATOM 0 H1 GLY A 1 131.804 -19.472 -19.908 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.767 -17.800 -20.199 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.652 -18.414 -18.886 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.694 -18.561 -19.193 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.607 -19.196 -17.839 1.00 0.81 H new ATOM 10 N SER A 2 130.882 -17.022 -16.625 1.00 0.55 N ATOM 11 CA SER A 2 130.852 -15.783 -15.847 1.00 0.48 C ATOM 12 C SER A 2 132.248 -15.181 -15.684 1.00 0.47 C ATOM 13 O SER A 2 132.380 -14.063 -15.189 1.00 0.71 O ATOM 14 CB SER A 2 130.228 -16.033 -14.471 1.00 0.54 C ATOM 15 OG SER A 2 128.859 -16.381 -14.585 1.00 0.67 O ATOM 0 H SER A 2 131.210 -17.836 -16.106 1.00 0.55 H new ATOM 0 HA SER A 2 130.241 -15.067 -16.397 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.768 -16.832 -13.964 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.329 -15.139 -13.855 1.00 0.54 H new ATOM 0 HG SER A 2 128.486 -16.537 -13.692 1.00 0.67 H new ATOM 21 N LEU A 3 133.285 -15.904 -16.124 1.00 0.38 N ATOM 22 CA LEU A 3 134.655 -15.398 -16.039 1.00 0.43 C ATOM 23 C LEU A 3 134.892 -14.418 -17.187 1.00 0.53 C ATOM 24 O LEU A 3 135.705 -14.668 -18.081 1.00 0.88 O ATOM 25 CB LEU A 3 135.688 -16.542 -16.088 1.00 0.48 C ATOM 26 CG LEU A 3 135.187 -17.929 -15.663 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.218 -18.993 -16.009 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.873 -17.957 -14.173 1.00 1.42 C ATOM 0 H LEU A 3 133.201 -16.832 -16.538 1.00 0.38 H new ATOM 0 HA LEU A 3 134.782 -14.891 -15.083 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.071 -16.614 -17.106 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.529 -16.271 -15.449 1.00 0.48 H new ATOM 0 HG LEU A 3 134.268 -18.143 -16.209 1.00 0.85 H new ATOM 0 HD11 LEU A 3 135.849 -19.971 -15.702 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.394 -18.993 -17.085 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.151 -18.778 -15.489 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.520 -18.950 -13.894 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.774 -17.720 -13.607 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.100 -17.221 -13.950 1.00 1.42 H new ATOM 40 N THR A 4 134.152 -13.308 -17.162 1.00 0.41 N ATOM 41 CA THR A 4 134.242 -12.288 -18.201 1.00 0.49 C ATOM 42 C THR A 4 133.874 -10.907 -17.641 1.00 0.39 C ATOM 43 O THR A 4 133.966 -10.677 -16.435 1.00 0.39 O ATOM 44 CB THR A 4 133.326 -12.665 -19.379 1.00 0.65 C ATOM 45 OG1 THR A 4 132.030 -13.012 -18.922 1.00 0.64 O ATOM 46 CG2 THR A 4 133.847 -13.827 -20.197 1.00 0.80 C ATOM 0 H THR A 4 133.479 -13.094 -16.426 1.00 0.41 H new ATOM 0 HA THR A 4 135.270 -12.237 -18.559 1.00 0.49 H new ATOM 0 HB THR A 4 133.297 -11.778 -20.012 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.465 -13.246 -19.688 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.153 -14.040 -21.010 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.823 -13.573 -20.610 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.940 -14.707 -19.561 1.00 0.80 H new ATOM 54 N TYR A 5 133.508 -9.983 -18.531 1.00 0.48 N ATOM 55 CA TYR A 5 133.170 -8.604 -18.164 1.00 0.46 C ATOM 56 C TYR A 5 132.206 -8.485 -16.981 1.00 0.42 C ATOM 57 O TYR A 5 132.314 -7.536 -16.201 1.00 0.47 O ATOM 58 CB TYR A 5 132.583 -7.880 -19.378 1.00 0.59 C ATOM 59 CG TYR A 5 132.181 -6.444 -19.108 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.077 -5.542 -18.548 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.903 -5.994 -19.413 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.711 -4.234 -18.299 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.529 -4.686 -19.168 1.00 0.90 C ATOM 64 CZ TYR A 5 131.437 -3.811 -18.611 1.00 0.65 C ATOM 65 OH TYR A 5 131.069 -2.509 -18.363 1.00 0.79 O ATOM 0 H TYR A 5 133.437 -10.170 -19.531 1.00 0.48 H new ATOM 0 HA TYR A 5 134.102 -8.140 -17.842 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.315 -7.895 -20.185 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.710 -8.431 -19.729 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.077 -5.869 -18.303 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.189 -6.677 -19.849 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.420 -3.546 -17.862 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.531 -4.352 -19.412 1.00 0.90 H new ATOM 0 HH TYR A 5 130.139 -2.373 -18.641 1.00 0.79 H new ATOM 75 N GLU A 6 131.266 -9.421 -16.830 1.00 0.48 N ATOM 76 CA GLU A 6 130.315 -9.358 -15.718 1.00 0.50 C ATOM 77 C GLU A 6 130.974 -9.742 -14.392 1.00 0.38 C ATOM 78 O GLU A 6 130.428 -9.469 -13.321 1.00 0.47 O ATOM 79 CB GLU A 6 129.121 -10.280 -15.991 1.00 0.60 C ATOM 80 CG GLU A 6 127.774 -9.596 -15.825 1.00 0.65 C ATOM 81 CD GLU A 6 126.615 -10.573 -15.870 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.291 -11.159 -14.815 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.032 -10.752 -16.960 1.00 1.16 O ATOM 0 H GLU A 6 131.143 -10.219 -17.453 1.00 0.48 H new ATOM 0 HA GLU A 6 129.968 -8.328 -15.637 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.198 -10.670 -17.006 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.171 -11.135 -15.316 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.757 -9.061 -14.876 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.649 -8.853 -16.612 1.00 0.65 H new ATOM 90 N GLU A 7 132.149 -10.372 -14.468 1.00 0.30 N ATOM 91 CA GLU A 7 132.877 -10.785 -13.271 1.00 0.29 C ATOM 92 C GLU A 7 133.692 -9.628 -12.703 1.00 0.28 C ATOM 93 O GLU A 7 133.733 -9.433 -11.487 1.00 0.46 O ATOM 94 CB GLU A 7 133.798 -11.968 -13.580 1.00 0.40 C ATOM 95 CG GLU A 7 133.697 -13.098 -12.567 1.00 0.56 C ATOM 96 CD GLU A 7 134.801 -13.050 -11.528 1.00 0.72 C ATOM 97 OE1 GLU A 7 134.714 -12.210 -10.607 1.00 0.81 O ATOM 98 OE2 GLU A 7 135.752 -13.853 -11.636 1.00 1.01 O ATOM 0 H GLU A 7 132.614 -10.606 -15.345 1.00 0.30 H new ATOM 0 HA GLU A 7 132.144 -11.094 -12.525 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.558 -12.356 -14.570 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.829 -11.615 -13.617 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.730 -13.047 -12.067 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.736 -14.054 -13.089 1.00 0.56 H new ATOM 105 N VAL A 8 134.331 -8.856 -13.585 1.00 0.34 N ATOM 106 CA VAL A 8 135.133 -7.713 -13.162 1.00 0.36 C ATOM 107 C VAL A 8 134.242 -6.556 -12.701 1.00 0.28 C ATOM 108 O VAL A 8 134.594 -5.829 -11.772 1.00 0.39 O ATOM 109 CB VAL A 8 136.072 -7.237 -14.296 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.283 -6.627 -15.445 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.106 -6.254 -13.765 1.00 0.77 C ATOM 0 H VAL A 8 134.307 -9.004 -14.594 1.00 0.34 H new ATOM 0 HA VAL A 8 135.745 -8.039 -12.321 1.00 0.36 H new ATOM 0 HB VAL A 8 136.599 -8.110 -14.682 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.970 -6.302 -16.226 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.598 -7.371 -15.851 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.715 -5.770 -15.082 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.755 -5.933 -14.580 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.600 -5.387 -13.341 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.705 -6.737 -12.993 1.00 0.77 H new ATOM 121 N LEU A 9 133.087 -6.391 -13.356 1.00 0.36 N ATOM 122 CA LEU A 9 132.149 -5.325 -13.004 1.00 0.49 C ATOM 123 C LEU A 9 131.819 -5.363 -11.512 1.00 0.53 C ATOM 124 O LEU A 9 131.951 -4.355 -10.816 1.00 0.73 O ATOM 125 CB LEU A 9 130.862 -5.444 -13.828 1.00 0.66 C ATOM 126 CG LEU A 9 130.666 -4.353 -14.884 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.556 -4.737 -15.851 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.360 -3.016 -14.221 1.00 0.72 C ATOM 0 H LEU A 9 132.782 -6.981 -14.130 1.00 0.36 H new ATOM 0 HA LEU A 9 132.625 -4.371 -13.231 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.855 -6.414 -14.324 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.010 -5.427 -13.148 1.00 0.66 H new ATOM 0 HG LEU A 9 131.593 -4.252 -15.449 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.432 -3.949 -16.594 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.816 -5.670 -16.351 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.624 -4.868 -15.301 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.224 -2.253 -14.987 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.449 -3.103 -13.630 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.188 -2.734 -13.571 1.00 0.72 H new ATOM 140 N GLN A 10 131.385 -6.532 -11.026 1.00 0.42 N ATOM 141 CA GLN A 10 131.031 -6.705 -9.616 1.00 0.49 C ATOM 142 C GLN A 10 132.231 -6.489 -8.688 1.00 0.43 C ATOM 143 O GLN A 10 132.053 -6.221 -7.499 1.00 0.50 O ATOM 144 CB GLN A 10 130.451 -8.104 -9.386 1.00 0.60 C ATOM 145 CG GLN A 10 129.055 -8.288 -9.961 1.00 0.69 C ATOM 146 CD GLN A 10 127.976 -8.259 -8.894 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.357 -7.223 -8.650 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.746 -9.399 -8.249 1.00 0.84 N ATOM 0 H GLN A 10 131.271 -7.373 -11.592 1.00 0.42 H new ATOM 0 HA GLN A 10 130.284 -5.949 -9.376 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.118 -8.842 -9.831 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.423 -8.305 -8.315 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.860 -7.502 -10.691 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.008 -9.237 -10.494 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.282 -10.235 -8.483 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.033 -9.438 -7.520 1.00 0.84 H new ATOM 157 N GLU A 11 133.449 -6.598 -9.225 1.00 0.41 N ATOM 158 CA GLU A 11 134.651 -6.400 -8.420 1.00 0.44 C ATOM 159 C GLU A 11 134.756 -4.947 -7.963 1.00 0.40 C ATOM 160 O GLU A 11 134.927 -4.682 -6.773 1.00 0.56 O ATOM 161 CB GLU A 11 135.907 -6.798 -9.199 1.00 0.52 C ATOM 162 CG GLU A 11 136.216 -8.285 -9.139 1.00 0.63 C ATOM 163 CD GLU A 11 137.703 -8.572 -9.217 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.362 -8.579 -8.155 1.00 1.54 O ATOM 165 OE2 GLU A 11 138.209 -8.787 -10.339 1.00 1.64 O ATOM 0 H GLU A 11 133.625 -6.820 -10.205 1.00 0.41 H new ATOM 0 HA GLU A 11 134.575 -7.042 -7.542 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.787 -6.502 -10.241 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.759 -6.243 -8.807 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.817 -8.699 -8.213 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.708 -8.792 -9.959 1.00 0.63 H new ATOM 172 N LEU A 12 134.665 -4.009 -8.912 1.00 0.34 N ATOM 173 CA LEU A 12 134.758 -2.580 -8.607 1.00 0.34 C ATOM 174 C LEU A 12 133.769 -2.155 -7.518 1.00 0.31 C ATOM 175 O LEU A 12 134.123 -1.376 -6.633 1.00 0.39 O ATOM 176 CB LEU A 12 134.515 -1.755 -9.880 1.00 0.36 C ATOM 177 CG LEU A 12 135.648 -0.801 -10.282 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.484 0.543 -9.591 1.00 0.65 C ATOM 179 CD2 LEU A 12 137.009 -1.407 -9.963 1.00 0.59 C ATOM 0 H LEU A 12 134.527 -4.217 -9.901 1.00 0.34 H new ATOM 0 HA LEU A 12 135.763 -2.393 -8.230 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.333 -2.442 -10.707 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.605 -1.171 -9.744 1.00 0.36 H new ATOM 0 HG LEU A 12 135.593 -0.644 -11.359 1.00 0.44 H new ATOM 0 HD11 LEU A 12 136.296 1.206 -9.888 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.530 0.986 -9.878 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.508 0.402 -8.510 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.795 -0.712 -10.257 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.079 -1.602 -8.893 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.128 -2.342 -10.510 1.00 0.59 H new ATOM 191 N VAL A 13 132.534 -2.669 -7.577 1.00 0.26 N ATOM 192 CA VAL A 13 131.517 -2.328 -6.579 1.00 0.26 C ATOM 193 C VAL A 13 131.816 -2.981 -5.221 1.00 0.22 C ATOM 194 O VAL A 13 131.263 -2.577 -4.197 1.00 0.24 O ATOM 195 CB VAL A 13 130.095 -2.722 -7.053 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.773 -4.172 -6.713 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.056 -1.783 -6.454 1.00 0.53 C ATOM 0 H VAL A 13 132.218 -3.317 -8.299 1.00 0.26 H new ATOM 0 HA VAL A 13 131.551 -1.245 -6.457 1.00 0.26 H new ATOM 0 HB VAL A 13 130.067 -2.627 -8.138 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.768 -4.413 -7.060 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.493 -4.829 -7.202 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.827 -4.313 -5.634 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.063 -2.073 -6.797 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.096 -1.842 -5.366 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.264 -0.761 -6.770 1.00 0.53 H new ATOM 207 N LYS A 14 132.710 -3.973 -5.221 1.00 0.24 N ATOM 208 CA LYS A 14 133.103 -4.662 -3.996 1.00 0.23 C ATOM 209 C LYS A 14 134.269 -3.926 -3.341 1.00 0.21 C ATOM 210 O LYS A 14 134.238 -3.636 -2.145 1.00 0.28 O ATOM 211 CB LYS A 14 133.496 -6.111 -4.301 1.00 0.30 C ATOM 212 CG LYS A 14 133.556 -7.001 -3.070 1.00 0.84 C ATOM 213 CD LYS A 14 133.683 -8.467 -3.451 1.00 0.68 C ATOM 214 CE LYS A 14 133.524 -9.376 -2.242 1.00 0.73 C ATOM 215 NZ LYS A 14 132.967 -10.709 -2.611 1.00 0.75 N ATOM 0 H LYS A 14 133.175 -4.316 -6.061 1.00 0.24 H new ATOM 0 HA LYS A 14 132.257 -4.672 -3.309 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.780 -6.531 -5.007 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.469 -6.118 -4.791 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.404 -6.710 -2.450 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.658 -6.856 -2.470 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.928 -8.716 -4.196 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.655 -8.641 -3.912 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.492 -9.509 -1.760 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.868 -8.899 -1.514 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.876 -11.296 -1.757 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.031 -10.585 -3.048 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.605 -11.177 -3.286 1.00 0.75 H new ATOM 229 N HIS A 15 135.288 -3.616 -4.146 1.00 0.25 N ATOM 230 CA HIS A 15 136.470 -2.898 -3.669 1.00 0.27 C ATOM 231 C HIS A 15 136.108 -1.471 -3.247 1.00 0.23 C ATOM 232 O HIS A 15 136.666 -0.942 -2.283 1.00 0.43 O ATOM 233 CB HIS A 15 137.547 -2.858 -4.760 1.00 0.33 C ATOM 234 CG HIS A 15 138.198 -4.184 -5.023 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.566 -4.348 -5.100 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.663 -5.412 -5.232 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.842 -5.617 -5.346 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.706 -6.282 -5.430 1.00 0.72 N ATOM 0 H HIS A 15 135.317 -3.853 -5.138 1.00 0.25 H new ATOM 0 HA HIS A 15 136.860 -3.430 -2.801 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.099 -2.495 -5.685 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.314 -2.139 -4.473 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.612 -5.660 -5.241 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.830 -6.038 -5.459 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.617 -7.282 -5.613 1.00 0.72 H new ATOM 247 N LYS A 16 135.168 -0.856 -3.974 1.00 0.21 N ATOM 248 CA LYS A 16 134.727 0.507 -3.675 1.00 0.25 C ATOM 249 C LYS A 16 133.920 0.548 -2.381 1.00 0.32 C ATOM 250 O LYS A 16 134.164 1.396 -1.522 1.00 0.62 O ATOM 251 CB LYS A 16 133.892 1.072 -4.829 1.00 0.37 C ATOM 252 CG LYS A 16 134.724 1.748 -5.907 1.00 0.50 C ATOM 253 CD LYS A 16 133.888 2.087 -7.130 1.00 0.57 C ATOM 254 CE LYS A 16 133.053 3.340 -6.911 1.00 0.59 C ATOM 255 NZ LYS A 16 131.596 3.037 -6.853 1.00 0.66 N ATOM 0 H LYS A 16 134.699 -1.283 -4.773 1.00 0.21 H new ATOM 0 HA LYS A 16 135.617 1.124 -3.549 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.316 0.264 -5.280 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.176 1.790 -4.431 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.169 2.659 -5.506 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.545 1.093 -6.197 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.542 2.231 -7.990 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.232 1.249 -7.366 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.360 3.823 -5.983 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.244 4.048 -7.717 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.064 3.918 -6.703 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.296 2.600 -7.748 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.409 2.381 -6.068 1.00 0.66 H new ATOM 269 N GLU A 17 132.965 -0.378 -2.240 1.00 0.32 N ATOM 270 CA GLU A 17 132.132 -0.448 -1.039 1.00 0.39 C ATOM 271 C GLU A 17 132.963 -0.854 0.179 1.00 0.32 C ATOM 272 O GLU A 17 132.699 -0.402 1.295 1.00 0.40 O ATOM 273 CB GLU A 17 130.984 -1.442 -1.244 1.00 0.51 C ATOM 274 CG GLU A 17 129.841 -1.269 -0.255 1.00 0.80 C ATOM 275 CD GLU A 17 129.027 -2.536 -0.075 1.00 1.08 C ATOM 276 OE1 GLU A 17 129.394 -3.359 0.790 1.00 1.47 O ATOM 277 OE2 GLU A 17 128.023 -2.706 -0.800 1.00 1.43 O ATOM 0 H GLU A 17 132.752 -1.087 -2.942 1.00 0.32 H new ATOM 0 HA GLU A 17 131.716 0.543 -0.858 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.596 -1.332 -2.257 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.374 -2.456 -1.161 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.244 -0.961 0.710 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.187 -0.467 -0.598 1.00 0.80 H new ATOM 284 N LEU A 18 133.979 -1.692 -0.047 1.00 0.32 N ATOM 285 CA LEU A 18 134.861 -2.139 1.030 1.00 0.34 C ATOM 286 C LEU A 18 135.644 -0.957 1.593 1.00 0.33 C ATOM 287 O LEU A 18 135.826 -0.844 2.808 1.00 0.66 O ATOM 288 CB LEU A 18 135.824 -3.216 0.523 1.00 0.53 C ATOM 289 CG LEU A 18 135.419 -4.654 0.857 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.055 -5.632 -0.121 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.804 -4.996 2.289 1.00 0.79 C ATOM 0 H LEU A 18 134.209 -2.073 -0.965 1.00 0.32 H new ATOM 0 HA LEU A 18 134.249 -2.567 1.824 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.914 -3.122 -0.559 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.812 -3.026 0.943 1.00 0.53 H new ATOM 0 HG LEU A 18 134.336 -4.738 0.764 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.755 -6.648 0.134 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.726 -5.399 -1.134 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.140 -5.549 -0.064 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.509 -6.022 2.510 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.883 -4.895 2.410 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.297 -4.317 2.974 1.00 0.79 H new ATOM 303 N LEU A 19 136.087 -0.067 0.700 1.00 0.43 N ATOM 304 CA LEU A 19 136.832 1.123 1.099 1.00 0.44 C ATOM 305 C LEU A 19 135.987 2.004 2.019 1.00 0.30 C ATOM 306 O LEU A 19 136.514 2.639 2.934 1.00 0.45 O ATOM 307 CB LEU A 19 137.267 1.922 -0.136 1.00 0.57 C ATOM 308 CG LEU A 19 138.764 1.868 -0.452 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.002 2.020 -1.948 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.512 2.946 0.323 1.00 0.94 C ATOM 0 H LEU A 19 135.940 -0.152 -0.306 1.00 0.43 H new ATOM 0 HA LEU A 19 137.721 0.802 1.642 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.716 1.553 -1.001 1.00 0.57 H new ATOM 0 HB3 LEU A 19 136.979 2.964 0.005 1.00 0.57 H new ATOM 0 HG LEU A 19 139.146 0.895 -0.143 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.072 1.979 -2.152 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.500 1.212 -2.480 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.605 2.978 -2.284 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.575 2.893 0.086 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.127 3.927 0.045 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.370 2.790 1.392 1.00 0.94 H new ATOM 322 N ARG A 20 134.670 2.030 1.773 1.00 0.32 N ATOM 323 CA ARG A 20 133.753 2.826 2.588 1.00 0.50 C ATOM 324 C ARG A 20 133.781 2.345 4.034 1.00 0.40 C ATOM 325 O ARG A 20 134.116 3.115 4.935 1.00 0.47 O ATOM 326 CB ARG A 20 132.319 2.753 2.042 1.00 0.78 C ATOM 327 CG ARG A 20 132.210 2.944 0.535 1.00 0.89 C ATOM 328 CD ARG A 20 132.766 4.289 0.091 1.00 0.98 C ATOM 329 NE ARG A 20 132.014 5.410 0.657 1.00 1.06 N ATOM 330 CZ ARG A 20 130.801 5.787 0.242 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.194 5.145 -0.753 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.192 6.815 0.825 1.00 1.60 N ATOM 0 H ARG A 20 134.221 1.510 1.019 1.00 0.32 H new ATOM 0 HA ARG A 20 134.083 3.864 2.547 1.00 0.50 H new ATOM 0 HB2 ARG A 20 131.892 1.785 2.305 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.715 3.514 2.537 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.749 2.143 0.028 1.00 0.89 H new ATOM 0 HG3 ARG A 20 131.165 2.866 0.234 1.00 0.89 H new ATOM 0 HD2 ARG A 20 133.811 4.366 0.391 1.00 0.98 H new ATOM 0 HD3 ARG A 20 132.742 4.349 -0.997 1.00 0.98 H new ATOM 0 HE ARG A 20 132.444 5.937 1.417 1.00 1.06 H new ATOM 0 HH11 ARG A 20 130.655 4.356 -1.207 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.268 5.441 -1.061 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.651 7.314 1.587 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.266 7.105 0.510 1.00 1.60 H new ATOM 346 N ARG A 21 133.420 1.073 4.255 1.00 0.36 N ATOM 347 CA ARG A 21 133.398 0.489 5.597 1.00 0.37 C ATOM 348 C ARG A 21 134.656 0.834 6.389 1.00 0.35 C ATOM 349 O ARG A 21 134.563 1.217 7.550 1.00 0.49 O ATOM 350 CB ARG A 21 133.245 -1.033 5.509 1.00 0.47 C ATOM 351 CG ARG A 21 131.814 -1.516 5.694 1.00 0.71 C ATOM 352 CD ARG A 21 131.726 -3.033 5.627 1.00 0.94 C ATOM 353 NE ARG A 21 130.450 -3.535 6.141 1.00 0.95 N ATOM 354 CZ ARG A 21 130.230 -3.862 7.418 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.194 -3.738 8.327 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.036 -4.315 7.788 1.00 1.50 N ATOM 0 H ARG A 21 133.139 0.429 3.516 1.00 0.36 H new ATOM 0 HA ARG A 21 132.543 0.915 6.123 1.00 0.37 H new ATOM 0 HB2 ARG A 21 133.610 -1.370 4.539 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.876 -1.497 6.267 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.433 -1.170 6.655 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.179 -1.079 4.924 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.853 -3.358 4.594 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.544 -3.469 6.201 1.00 0.94 H new ATOM 0 HE ARG A 21 129.679 -3.642 5.482 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.113 -3.390 8.052 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.014 -3.991 9.299 1.00 2.03 H new ATOM 0 HH21 ARG A 21 128.291 -4.412 7.098 1.00 1.50 H new ATOM 0 HH22 ARG A 21 128.865 -4.565 8.762 1.00 1.50 H new ATOM 370 N LYS A 22 135.829 0.703 5.758 1.00 0.33 N ATOM 371 CA LYS A 22 137.096 1.017 6.425 1.00 0.41 C ATOM 372 C LYS A 22 136.988 2.340 7.185 1.00 0.34 C ATOM 373 O LYS A 22 137.301 2.410 8.375 1.00 0.36 O ATOM 374 CB LYS A 22 138.240 1.082 5.408 1.00 0.56 C ATOM 375 CG LYS A 22 139.124 -0.155 5.408 1.00 0.77 C ATOM 376 CD LYS A 22 140.191 -0.082 4.326 1.00 0.95 C ATOM 377 CE LYS A 22 141.401 0.720 4.785 1.00 0.76 C ATOM 378 NZ LYS A 22 142.364 -0.114 5.557 1.00 0.71 N ATOM 0 H LYS A 22 135.926 0.384 4.794 1.00 0.33 H new ATOM 0 HA LYS A 22 137.312 0.222 7.139 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.822 1.220 4.411 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.854 1.957 5.620 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.600 -0.262 6.383 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.509 -1.042 5.254 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.504 -1.090 4.054 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.770 0.374 3.430 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.905 1.145 3.917 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.069 1.555 5.402 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.172 0.471 5.850 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.892 -0.499 6.400 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.701 -0.897 4.961 1.00 0.71 H new ATOM 392 N ASP A 23 136.525 3.379 6.488 1.00 0.34 N ATOM 393 CA ASP A 23 136.350 4.701 7.087 1.00 0.32 C ATOM 394 C ASP A 23 135.168 4.696 8.057 1.00 0.29 C ATOM 395 O ASP A 23 135.326 4.978 9.243 1.00 0.34 O ATOM 396 CB ASP A 23 136.118 5.744 5.989 1.00 0.37 C ATOM 397 CG ASP A 23 137.392 6.103 5.248 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.704 5.428 4.243 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.075 7.059 5.670 1.00 1.15 O ATOM 0 H ASP A 23 136.264 3.329 5.503 1.00 0.34 H new ATOM 0 HA ASP A 23 137.254 4.956 7.640 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.384 5.362 5.279 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.694 6.645 6.432 1.00 0.37 H new ATOM 404 N THR A 24 133.982 4.387 7.530 1.00 0.27 N ATOM 405 CA THR A 24 132.754 4.350 8.330 1.00 0.28 C ATOM 406 C THR A 24 132.957 3.615 9.660 1.00 0.27 C ATOM 407 O THR A 24 132.399 4.013 10.682 1.00 0.32 O ATOM 408 CB THR A 24 131.625 3.682 7.538 1.00 0.31 C ATOM 409 OG1 THR A 24 131.395 4.360 6.312 1.00 0.52 O ATOM 410 CG2 THR A 24 130.311 3.629 8.292 1.00 0.53 C ATOM 0 H THR A 24 133.845 4.157 6.546 1.00 0.27 H new ATOM 0 HA THR A 24 132.484 5.381 8.556 1.00 0.28 H new ATOM 0 HB THR A 24 131.964 2.661 7.363 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.672 3.915 5.823 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.556 3.144 7.673 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.443 3.063 9.214 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.988 4.642 8.531 1.00 0.53 H new ATOM 418 N HIS A 25 133.748 2.538 9.638 1.00 0.27 N ATOM 419 CA HIS A 25 134.007 1.749 10.842 1.00 0.31 C ATOM 420 C HIS A 25 134.798 2.547 11.874 1.00 0.33 C ATOM 421 O HIS A 25 134.371 2.664 13.023 1.00 0.43 O ATOM 422 CB HIS A 25 134.753 0.456 10.494 1.00 0.37 C ATOM 423 CG HIS A 25 134.222 -0.748 11.209 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.092 -0.813 12.580 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.780 -1.938 10.734 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.595 -1.989 12.918 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.397 -2.689 11.817 1.00 0.75 N ATOM 0 H HIS A 25 134.218 2.195 8.801 1.00 0.27 H new ATOM 0 HA HIS A 25 133.041 1.494 11.278 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.691 0.288 9.419 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.809 0.578 10.737 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.737 -2.239 9.698 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.386 -2.321 13.924 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.020 -3.636 11.777 1.00 0.75 H new ATOM 436 N ILE A 26 135.949 3.097 11.469 1.00 0.31 N ATOM 437 CA ILE A 26 136.771 3.882 12.390 1.00 0.35 C ATOM 438 C ILE A 26 135.973 5.060 12.952 1.00 0.34 C ATOM 439 O ILE A 26 135.997 5.308 14.158 1.00 0.46 O ATOM 440 CB ILE A 26 138.085 4.390 11.740 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.808 5.184 10.459 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.017 3.221 11.449 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.026 5.891 9.905 1.00 0.68 C ATOM 0 H ILE A 26 136.326 3.014 10.525 1.00 0.31 H new ATOM 0 HA ILE A 26 137.053 3.213 13.203 1.00 0.35 H new ATOM 0 HB ILE A 26 138.569 5.062 12.448 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.416 4.507 9.700 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.031 5.922 10.660 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.935 3.592 10.993 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.256 2.706 12.379 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.528 2.527 10.766 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.752 6.431 8.999 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.407 6.594 10.646 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.797 5.157 9.671 1.00 0.68 H new ATOM 455 N ARG A 27 135.262 5.779 12.074 1.00 0.29 N ATOM 456 CA ARG A 27 134.448 6.923 12.487 1.00 0.35 C ATOM 457 C ARG A 27 133.391 6.503 13.511 1.00 0.34 C ATOM 458 O ARG A 27 133.122 7.232 14.467 1.00 0.39 O ATOM 459 CB ARG A 27 133.772 7.565 11.271 1.00 0.44 C ATOM 460 CG ARG A 27 133.122 8.908 11.570 1.00 0.52 C ATOM 461 CD ARG A 27 131.611 8.782 11.694 1.00 0.81 C ATOM 462 NE ARG A 27 130.946 10.086 11.719 1.00 0.91 N ATOM 463 CZ ARG A 27 129.624 10.253 11.613 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.817 9.203 11.477 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.107 11.477 11.644 1.00 1.68 N ATOM 0 H ARG A 27 135.236 5.586 11.073 1.00 0.29 H new ATOM 0 HA ARG A 27 135.108 7.654 12.954 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.513 7.698 10.483 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.015 6.883 10.885 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.531 9.313 12.495 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.365 9.615 10.777 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.227 8.197 10.858 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.368 8.235 12.605 1.00 0.81 H new ATOM 0 HE ARG A 27 131.527 10.918 11.824 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.206 8.260 11.453 1.00 1.19 H new ATOM 0 HH12 ARG A 27 127.810 9.341 11.397 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.719 12.287 11.748 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.099 11.607 11.563 1.00 1.68 H new ATOM 479 N GLU A 28 132.805 5.317 13.315 1.00 0.33 N ATOM 480 CA GLU A 28 131.794 4.805 14.237 1.00 0.38 C ATOM 481 C GLU A 28 132.446 4.451 15.575 1.00 0.37 C ATOM 482 O GLU A 28 131.959 4.852 16.633 1.00 0.47 O ATOM 483 CB GLU A 28 131.046 3.605 13.613 1.00 0.48 C ATOM 484 CG GLU A 28 131.236 2.270 14.326 1.00 0.81 C ATOM 485 CD GLU A 28 130.142 1.977 15.340 1.00 1.22 C ATOM 486 OE1 GLU A 28 129.852 2.858 16.180 1.00 1.85 O ATOM 487 OE2 GLU A 28 129.577 0.863 15.295 1.00 1.66 O ATOM 0 H GLU A 28 133.014 4.699 12.531 1.00 0.33 H new ATOM 0 HA GLU A 28 131.049 5.578 14.425 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.981 3.836 13.589 1.00 0.48 H new ATOM 0 HB3 GLU A 28 131.372 3.494 12.579 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.262 1.470 13.586 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.202 2.268 14.831 1.00 0.81 H new ATOM 494 N LEU A 29 133.561 3.713 15.519 1.00 0.34 N ATOM 495 CA LEU A 29 134.292 3.326 16.724 1.00 0.38 C ATOM 496 C LEU A 29 134.930 4.546 17.401 1.00 0.42 C ATOM 497 O LEU A 29 135.404 4.455 18.536 1.00 0.80 O ATOM 498 CB LEU A 29 135.367 2.287 16.387 1.00 0.48 C ATOM 499 CG LEU A 29 135.456 1.109 17.363 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.695 -0.094 16.823 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.909 0.746 17.637 1.00 0.58 C ATOM 0 H LEU A 29 133.974 3.373 14.650 1.00 0.34 H new ATOM 0 HA LEU A 29 133.579 2.885 17.421 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.174 1.898 15.387 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.336 2.786 16.353 1.00 0.48 H new ATOM 0 HG LEU A 29 134.996 1.410 18.304 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.770 -0.920 17.531 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.647 0.171 16.685 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.122 -0.396 15.867 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.950 -0.093 18.332 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.397 0.467 16.703 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.422 1.603 18.072 1.00 0.58 H new ATOM 513 N GLU A 30 134.914 5.692 16.709 1.00 0.42 N ATOM 514 CA GLU A 30 135.460 6.931 17.254 1.00 0.46 C ATOM 515 C GLU A 30 134.506 7.505 18.302 1.00 0.46 C ATOM 516 O GLU A 30 134.935 8.180 19.239 1.00 0.61 O ATOM 517 CB GLU A 30 135.705 7.952 16.136 1.00 0.51 C ATOM 518 CG GLU A 30 137.157 8.024 15.688 1.00 0.57 C ATOM 519 CD GLU A 30 137.981 8.981 16.528 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.381 8.596 17.647 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.227 10.116 16.066 1.00 1.24 O ATOM 0 H GLU A 30 134.527 5.782 15.769 1.00 0.42 H new ATOM 0 HA GLU A 30 136.416 6.712 17.729 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.081 7.698 15.279 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.389 8.937 16.479 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.599 7.029 15.739 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.196 8.337 14.645 1.00 0.57 H new ATOM 528 N ASP A 31 133.210 7.201 18.152 1.00 0.43 N ATOM 529 CA ASP A 31 132.192 7.651 19.097 1.00 0.58 C ATOM 530 C ASP A 31 132.136 6.713 20.307 1.00 0.59 C ATOM 531 O ASP A 31 131.739 7.119 21.401 1.00 0.78 O ATOM 532 CB ASP A 31 130.819 7.719 18.419 1.00 0.71 C ATOM 533 CG ASP A 31 130.070 8.993 18.761 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.468 9.054 19.854 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.086 9.931 17.936 1.00 1.73 O ATOM 0 H ASP A 31 132.846 6.643 17.380 1.00 0.43 H new ATOM 0 HA ASP A 31 132.460 8.651 19.439 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.946 7.654 17.338 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.224 6.858 18.722 1.00 0.71 H new ATOM 540 N TYR A 32 132.557 5.458 20.101 1.00 0.51 N ATOM 541 CA TYR A 32 132.579 4.463 21.172 1.00 0.56 C ATOM 542 C TYR A 32 133.650 4.821 22.201 1.00 0.55 C ATOM 543 O TYR A 32 133.416 4.744 23.409 1.00 0.64 O ATOM 544 CB TYR A 32 132.852 3.064 20.605 1.00 0.61 C ATOM 545 CG TYR A 32 131.628 2.371 20.042 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.372 2.551 20.612 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.732 1.529 18.941 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.258 1.913 20.101 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.623 0.888 18.426 1.00 1.19 C ATOM 550 CZ TYR A 32 129.389 1.083 19.009 1.00 1.23 C ATOM 551 OH TYR A 32 128.282 0.444 18.497 1.00 1.55 O ATOM 0 H TYR A 32 132.887 5.111 19.200 1.00 0.51 H new ATOM 0 HA TYR A 32 131.603 4.460 21.656 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.604 3.143 19.820 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.278 2.442 21.392 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.266 3.200 21.468 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.697 1.374 18.481 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.290 2.064 20.555 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.722 0.237 17.570 1.00 1.19 H new ATOM 0 HH TYR A 32 128.546 -0.103 17.728 1.00 1.55 H new ATOM 561 N ILE A 33 134.822 5.230 21.707 1.00 0.53 N ATOM 562 CA ILE A 33 135.934 5.622 22.570 1.00 0.62 C ATOM 563 C ILE A 33 135.755 7.056 23.086 1.00 0.58 C ATOM 564 O ILE A 33 136.456 7.483 24.006 1.00 0.77 O ATOM 565 CB ILE A 33 137.290 5.509 21.833 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.408 4.153 21.126 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.446 5.702 22.807 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.306 4.180 19.907 1.00 0.85 C ATOM 0 H ILE A 33 135.023 5.298 20.709 1.00 0.53 H new ATOM 0 HA ILE A 33 135.936 4.935 23.416 1.00 0.62 H new ATOM 0 HB ILE A 33 137.337 6.296 21.080 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.791 3.417 21.833 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.414 3.821 20.827 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.391 5.619 22.271 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.374 6.688 23.266 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.400 4.937 23.582 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.341 3.187 19.459 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.913 4.892 19.181 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.311 4.481 20.202 1.00 0.85 H new ATOM 580 N ASP A 34 134.805 7.794 22.497 1.00 0.49 N ATOM 581 CA ASP A 34 134.531 9.169 22.910 1.00 0.54 C ATOM 582 C ASP A 34 133.947 9.204 24.322 1.00 0.44 C ATOM 583 O ASP A 34 134.205 10.132 25.077 1.00 0.47 O ATOM 584 CB ASP A 34 133.567 9.845 21.928 1.00 0.75 C ATOM 585 CG ASP A 34 134.177 11.066 21.264 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.438 12.062 21.973 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.395 11.025 20.035 1.00 1.49 O ATOM 0 H ASP A 34 134.216 7.459 21.734 1.00 0.49 H new ATOM 0 HA ASP A 34 135.474 9.715 22.909 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.272 9.128 21.162 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.660 10.138 22.457 1.00 0.75 H new ATOM 592 N ASN A 35 133.167 8.176 24.668 1.00 0.53 N ATOM 593 CA ASN A 35 132.547 8.071 25.993 1.00 0.57 C ATOM 594 C ASN A 35 133.542 8.422 27.100 1.00 0.47 C ATOM 595 O ASN A 35 133.182 9.072 28.082 1.00 0.58 O ATOM 596 CB ASN A 35 131.997 6.658 26.214 1.00 0.74 C ATOM 597 CG ASN A 35 130.666 6.439 25.518 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.607 6.724 26.077 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.712 5.930 24.290 1.00 1.32 N ATOM 0 H ASN A 35 132.948 7.399 24.044 1.00 0.53 H new ATOM 0 HA ASN A 35 131.725 8.786 26.034 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.720 5.929 25.848 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.878 6.480 27.283 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.848 5.762 23.775 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.611 5.708 23.863 1.00 1.32 H new ATOM 606 N LEU A 36 134.799 8.005 26.922 1.00 0.42 N ATOM 607 CA LEU A 36 135.851 8.293 27.895 1.00 0.47 C ATOM 608 C LEU A 36 136.150 9.793 27.923 1.00 0.42 C ATOM 609 O LEU A 36 136.250 10.394 28.994 1.00 0.53 O ATOM 610 CB LEU A 36 137.132 7.512 27.566 1.00 0.66 C ATOM 611 CG LEU A 36 136.927 6.086 27.037 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.268 5.419 26.769 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.103 5.259 28.016 1.00 1.66 C ATOM 0 H LEU A 36 135.110 7.467 26.113 1.00 0.42 H new ATOM 0 HA LEU A 36 135.498 7.979 28.877 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.699 8.076 26.825 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.745 7.461 28.466 1.00 0.66 H new ATOM 0 HG LEU A 36 136.378 6.146 26.097 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.103 4.409 26.395 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.819 5.996 26.027 1.00 1.04 H new ATOM 0 HD13 LEU A 36 138.843 5.374 27.694 1.00 1.04 H new ATOM 0 HD21 LEU A 36 135.970 4.252 27.620 1.00 1.66 H new ATOM 0 HD22 LEU A 36 136.620 5.207 28.974 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.128 5.725 28.155 1.00 1.66 H new ATOM 625 N LEU A 37 136.278 10.390 26.733 1.00 0.36 N ATOM 626 CA LEU A 37 136.551 11.821 26.609 1.00 0.40 C ATOM 627 C LEU A 37 135.420 12.530 25.848 1.00 0.32 C ATOM 628 O LEU A 37 135.643 13.145 24.802 1.00 0.42 O ATOM 629 CB LEU A 37 137.897 12.045 25.907 1.00 0.56 C ATOM 630 CG LEU A 37 138.077 11.300 24.579 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.826 12.167 23.576 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.806 9.981 24.799 1.00 0.63 C ATOM 0 H LEU A 37 136.196 9.901 25.842 1.00 0.36 H new ATOM 0 HA LEU A 37 136.604 12.249 27.610 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.019 13.113 25.725 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.696 11.744 26.585 1.00 0.56 H new ATOM 0 HG LEU A 37 137.090 11.081 24.172 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.944 11.621 22.640 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.263 13.082 23.394 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.808 12.419 23.975 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.924 9.467 23.845 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.788 10.176 25.230 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.228 9.355 25.479 1.00 0.63 H new ATOM 644 N VAL A 38 134.205 12.428 26.399 1.00 0.29 N ATOM 645 CA VAL A 38 133.004 13.042 25.820 1.00 0.41 C ATOM 646 C VAL A 38 131.922 13.192 26.899 1.00 0.38 C ATOM 647 O VAL A 38 132.146 12.830 28.057 1.00 0.61 O ATOM 648 CB VAL A 38 132.455 12.231 24.615 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.460 11.165 25.062 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.825 13.158 23.584 1.00 0.99 C ATOM 0 H VAL A 38 134.026 11.915 27.262 1.00 0.29 H new ATOM 0 HA VAL A 38 133.284 14.026 25.445 1.00 0.41 H new ATOM 0 HB VAL A 38 133.298 11.720 24.151 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.097 10.618 24.192 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.951 10.473 25.747 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.620 11.641 25.567 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.447 12.569 22.748 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.003 13.707 24.043 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.574 13.862 23.222 1.00 0.99 H new ATOM 660 N ARG A 39 130.749 13.708 26.525 1.00 0.44 N ATOM 661 CA ARG A 39 129.653 13.871 27.478 1.00 0.47 C ATOM 662 C ARG A 39 129.034 12.512 27.813 1.00 0.53 C ATOM 663 O ARG A 39 128.406 11.880 26.960 1.00 0.86 O ATOM 664 CB ARG A 39 128.585 14.817 26.910 1.00 0.59 C ATOM 665 CG ARG A 39 127.280 14.823 27.697 1.00 0.75 C ATOM 666 CD ARG A 39 127.435 15.525 29.038 1.00 0.97 C ATOM 667 NE ARG A 39 127.230 16.970 28.932 1.00 0.93 N ATOM 668 CZ ARG A 39 127.323 17.816 29.962 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.617 17.370 31.180 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.119 19.116 29.771 1.00 1.48 N ATOM 0 H ARG A 39 130.536 14.017 25.577 1.00 0.44 H new ATOM 0 HA ARG A 39 130.052 14.308 28.393 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.987 15.830 26.886 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.374 14.533 25.879 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.505 15.320 27.113 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.948 13.798 27.859 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.720 15.109 29.749 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.431 15.329 29.436 1.00 0.97 H new ATOM 0 HE ARG A 39 127.002 17.355 28.015 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.774 16.374 31.334 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.686 18.024 31.960 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.892 19.465 28.840 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.189 19.764 30.556 1.00 1.48 H new ATOM 684 N VAL A 40 129.218 12.068 29.056 1.00 0.46 N ATOM 685 CA VAL A 40 128.679 10.781 29.500 1.00 0.53 C ATOM 686 C VAL A 40 127.247 10.925 30.011 1.00 0.53 C ATOM 687 O VAL A 40 126.908 11.909 30.671 1.00 0.66 O ATOM 688 CB VAL A 40 129.550 10.137 30.604 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.851 9.608 30.018 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.828 11.124 31.732 1.00 0.78 C ATOM 0 H VAL A 40 129.735 12.578 29.772 1.00 0.46 H new ATOM 0 HA VAL A 40 128.686 10.129 28.627 1.00 0.53 H new ATOM 0 HB VAL A 40 128.995 9.298 31.024 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.450 9.159 30.810 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.630 8.857 29.260 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.406 10.429 29.564 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.442 10.643 32.493 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.355 11.991 31.335 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.885 11.444 32.176 1.00 0.78 H new ATOM 700 N MET A 41 126.410 9.934 29.698 1.00 0.53 N ATOM 701 CA MET A 41 125.011 9.941 30.120 1.00 0.60 C ATOM 702 C MET A 41 124.734 8.810 31.106 1.00 0.86 C ATOM 703 O MET A 41 123.949 8.965 32.041 1.00 1.20 O ATOM 704 CB MET A 41 124.083 9.819 28.906 1.00 0.75 C ATOM 705 CG MET A 41 124.329 8.577 28.060 1.00 0.56 C ATOM 706 SD MET A 41 122.889 8.105 27.083 1.00 0.67 S ATOM 707 CE MET A 41 122.919 9.360 25.805 1.00 0.54 C ATOM 0 H MET A 41 126.679 9.115 29.152 1.00 0.53 H new ATOM 0 HA MET A 41 124.815 10.890 30.619 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.049 9.812 29.251 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.204 10.703 28.279 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.172 8.758 27.393 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.609 7.749 28.711 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.086 9.202 25.120 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.831 10.346 26.261 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.858 9.297 25.255 1.00 0.54 H new ATOM 718 N GLY B 1 135.335 4.605 -27.580 1.00 0.61 N ATOM 719 CA GLY B 1 136.655 4.061 -28.011 1.00 0.61 C ATOM 720 C GLY B 1 137.028 2.787 -27.276 1.00 0.52 C ATOM 721 O GLY B 1 136.915 1.691 -27.828 1.00 0.60 O ATOM 0 H1 GLY B 1 135.127 5.474 -28.112 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.592 3.901 -27.764 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.363 4.820 -26.563 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.630 3.864 -29.083 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.426 4.813 -27.843 1.00 0.61 H new ATOM 727 N SER B 2 137.472 2.933 -26.027 1.00 0.50 N ATOM 728 CA SER B 2 137.862 1.787 -25.205 1.00 0.49 C ATOM 729 C SER B 2 137.073 1.744 -23.897 1.00 0.47 C ATOM 730 O SER B 2 137.542 1.186 -22.904 1.00 0.63 O ATOM 731 CB SER B 2 139.365 1.834 -24.913 1.00 0.55 C ATOM 732 OG SER B 2 140.122 1.629 -26.094 1.00 0.67 O ATOM 0 H SER B 2 137.571 3.835 -25.562 1.00 0.50 H new ATOM 0 HA SER B 2 137.633 0.880 -25.765 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.623 2.798 -24.475 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.620 1.071 -24.177 1.00 0.55 H new ATOM 0 HG SER B 2 141.078 1.665 -25.880 1.00 0.67 H new ATOM 738 N LEU B 3 135.859 2.305 -23.908 1.00 0.48 N ATOM 739 CA LEU B 3 135.000 2.292 -22.728 1.00 0.55 C ATOM 740 C LEU B 3 134.257 0.959 -22.664 1.00 0.65 C ATOM 741 O LEU B 3 133.025 0.908 -22.688 1.00 1.02 O ATOM 742 CB LEU B 3 134.012 3.466 -22.763 1.00 0.62 C ATOM 743 CG LEU B 3 134.451 4.706 -21.979 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.441 5.529 -22.791 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.242 5.548 -21.591 1.00 0.76 C ATOM 0 H LEU B 3 135.454 2.771 -24.720 1.00 0.48 H new ATOM 0 HA LEU B 3 135.613 2.404 -21.834 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.847 3.751 -23.802 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.054 3.127 -22.370 1.00 0.62 H new ATOM 0 HG LEU B 3 134.947 4.378 -21.066 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.742 6.406 -22.218 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.319 4.924 -23.016 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.972 5.847 -23.722 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.573 6.425 -21.035 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.716 5.866 -22.491 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.571 4.956 -20.969 1.00 0.76 H new ATOM 757 N THR B 4 135.034 -0.124 -22.603 1.00 0.46 N ATOM 758 CA THR B 4 134.497 -1.477 -22.557 1.00 0.55 C ATOM 759 C THR B 4 135.311 -2.330 -21.579 1.00 0.42 C ATOM 760 O THR B 4 135.961 -1.795 -20.680 1.00 0.43 O ATOM 761 CB THR B 4 134.513 -2.093 -23.964 1.00 0.72 C ATOM 762 OG1 THR B 4 135.825 -2.093 -24.501 1.00 0.70 O ATOM 763 CG2 THR B 4 133.617 -1.367 -24.946 1.00 0.90 C ATOM 0 H THR B 4 136.053 -0.083 -22.584 1.00 0.46 H new ATOM 0 HA THR B 4 133.465 -1.444 -22.207 1.00 0.55 H new ATOM 0 HB THR B 4 134.140 -3.109 -23.836 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.812 -2.491 -25.396 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.675 -1.853 -25.920 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.588 -1.394 -24.588 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.942 -0.331 -25.038 1.00 0.90 H new ATOM 771 N TYR B 5 135.240 -3.653 -21.728 1.00 0.50 N ATOM 772 CA TYR B 5 135.939 -4.590 -20.842 1.00 0.45 C ATOM 773 C TYR B 5 137.407 -4.228 -20.585 1.00 0.41 C ATOM 774 O TYR B 5 137.911 -4.474 -19.488 1.00 0.46 O ATOM 775 CB TYR B 5 135.854 -6.005 -21.416 1.00 0.57 C ATOM 776 CG TYR B 5 136.567 -7.053 -20.585 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.301 -7.195 -19.229 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.507 -7.899 -21.160 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.951 -8.148 -18.470 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.161 -8.855 -20.408 1.00 0.92 C ATOM 781 CZ TYR B 5 137.880 -8.976 -19.064 1.00 0.67 C ATOM 782 OH TYR B 5 138.530 -9.925 -18.310 1.00 0.84 O ATOM 0 H TYR B 5 134.698 -4.106 -22.464 1.00 0.50 H new ATOM 0 HA TYR B 5 135.434 -4.530 -19.878 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.805 -6.284 -21.512 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.276 -6.004 -22.421 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.573 -6.549 -18.760 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.730 -7.808 -22.213 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.733 -8.244 -17.417 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.889 -9.505 -20.871 1.00 0.92 H new ATOM 0 HH TYR B 5 139.151 -10.426 -18.879 1.00 0.84 H new ATOM 792 N GLU B 6 138.101 -3.653 -21.571 1.00 0.49 N ATOM 793 CA GLU B 6 139.506 -3.285 -21.387 1.00 0.50 C ATOM 794 C GLU B 6 139.653 -2.044 -20.503 1.00 0.38 C ATOM 795 O GLU B 6 140.741 -1.763 -19.997 1.00 0.44 O ATOM 796 CB GLU B 6 140.171 -3.035 -22.743 1.00 0.62 C ATOM 797 CG GLU B 6 141.470 -3.801 -22.935 1.00 0.68 C ATOM 798 CD GLU B 6 142.226 -3.365 -24.175 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.985 -2.376 -24.091 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.059 -4.013 -25.231 1.00 1.14 O ATOM 0 H GLU B 6 137.719 -3.435 -22.492 1.00 0.49 H new ATOM 0 HA GLU B 6 140.001 -4.118 -20.887 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.476 -3.311 -23.536 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.369 -1.968 -22.850 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.104 -3.660 -22.059 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.252 -4.867 -23.003 1.00 0.68 H new ATOM 807 N GLU B 7 138.553 -1.312 -20.313 1.00 0.32 N ATOM 808 CA GLU B 7 138.564 -0.110 -19.483 1.00 0.29 C ATOM 809 C GLU B 7 138.411 -0.465 -18.007 1.00 0.27 C ATOM 810 O GLU B 7 139.092 0.108 -17.154 1.00 0.43 O ATOM 811 CB GLU B 7 137.450 0.850 -19.907 1.00 0.43 C ATOM 812 CG GLU B 7 137.915 2.288 -20.065 1.00 0.57 C ATOM 813 CD GLU B 7 137.609 3.138 -18.846 1.00 0.72 C ATOM 814 OE1 GLU B 7 138.333 3.010 -17.835 1.00 0.80 O ATOM 815 OE2 GLU B 7 136.646 3.931 -18.902 1.00 1.00 O ATOM 0 H GLU B 7 137.645 -1.532 -20.723 1.00 0.32 H new ATOM 0 HA GLU B 7 139.526 0.383 -19.624 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.027 0.508 -20.851 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.650 0.815 -19.168 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.989 2.300 -20.251 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.435 2.727 -20.939 1.00 0.57 H new ATOM 822 N VAL B 8 137.524 -1.418 -17.709 1.00 0.35 N ATOM 823 CA VAL B 8 137.295 -1.850 -16.335 1.00 0.37 C ATOM 824 C VAL B 8 138.467 -2.692 -15.823 1.00 0.28 C ATOM 825 O VAL B 8 138.821 -2.619 -14.646 1.00 0.40 O ATOM 826 CB VAL B 8 135.975 -2.646 -16.208 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.072 -3.988 -16.920 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.595 -2.833 -14.746 1.00 0.78 C ATOM 0 H VAL B 8 136.955 -1.903 -18.403 1.00 0.35 H new ATOM 0 HA VAL B 8 137.214 -0.953 -15.721 1.00 0.37 H new ATOM 0 HB VAL B 8 135.188 -2.068 -16.692 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.130 -4.525 -16.814 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.279 -3.825 -17.978 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.877 -4.576 -16.479 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.664 -3.395 -14.681 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.385 -3.380 -14.232 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.464 -1.858 -14.277 1.00 0.78 H new ATOM 838 N LEU B 9 139.065 -3.492 -16.712 1.00 0.35 N ATOM 839 CA LEU B 9 140.198 -4.341 -16.344 1.00 0.49 C ATOM 840 C LEU B 9 141.299 -3.520 -15.671 1.00 0.52 C ATOM 841 O LEU B 9 141.747 -3.856 -14.573 1.00 0.74 O ATOM 842 CB LEU B 9 140.761 -5.056 -17.578 1.00 0.65 C ATOM 843 CG LEU B 9 140.506 -6.565 -17.626 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.803 -7.113 -19.015 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.345 -7.282 -16.576 1.00 0.76 C ATOM 0 H LEU B 9 138.782 -3.568 -17.689 1.00 0.35 H new ATOM 0 HA LEU B 9 139.839 -5.088 -15.636 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.330 -4.602 -18.470 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.836 -4.883 -17.620 1.00 0.65 H new ATOM 0 HG LEU B 9 139.454 -6.744 -17.405 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.616 -8.187 -19.030 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.159 -6.622 -19.745 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.847 -6.923 -19.266 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.151 -8.353 -16.625 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.402 -7.096 -16.766 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.083 -6.910 -15.585 1.00 0.76 H new ATOM 857 N GLN B 10 141.730 -2.443 -16.337 1.00 0.41 N ATOM 858 CA GLN B 10 142.779 -1.569 -15.807 1.00 0.48 C ATOM 859 C GLN B 10 142.361 -0.892 -14.497 1.00 0.42 C ATOM 860 O GLN B 10 143.216 -0.445 -13.732 1.00 0.48 O ATOM 861 CB GLN B 10 143.150 -0.503 -16.841 1.00 0.58 C ATOM 862 CG GLN B 10 143.931 -1.048 -18.026 1.00 0.66 C ATOM 863 CD GLN B 10 145.410 -0.714 -17.954 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.218 -1.524 -17.500 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.772 0.485 -18.401 1.00 0.83 N ATOM 0 H GLN B 10 141.367 -2.156 -17.246 1.00 0.41 H new ATOM 0 HA GLN B 10 143.645 -2.197 -15.595 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.238 -0.029 -17.205 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.740 0.273 -16.354 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.808 -2.130 -18.070 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.515 -0.642 -18.948 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.069 1.126 -18.769 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.753 0.764 -18.376 1.00 0.83 H new ATOM 874 N GLU B 11 141.053 -0.819 -14.235 1.00 0.40 N ATOM 875 CA GLU B 11 140.561 -0.199 -13.008 1.00 0.42 C ATOM 876 C GLU B 11 140.968 -1.022 -11.789 1.00 0.37 C ATOM 877 O GLU B 11 141.539 -0.486 -10.841 1.00 0.54 O ATOM 878 CB GLU B 11 139.039 -0.035 -13.046 1.00 0.48 C ATOM 879 CG GLU B 11 138.579 1.222 -13.765 1.00 0.62 C ATOM 880 CD GLU B 11 137.281 1.770 -13.202 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.340 2.563 -12.238 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.206 1.404 -13.724 1.00 1.61 O ATOM 0 H GLU B 11 140.324 -1.179 -14.851 1.00 0.40 H new ATOM 0 HA GLU B 11 141.012 0.790 -12.931 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.601 -0.904 -13.536 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.658 -0.019 -12.025 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.355 1.984 -13.690 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.448 1.003 -14.825 1.00 0.62 H new ATOM 889 N LEU B 12 140.664 -2.325 -11.814 1.00 0.32 N ATOM 890 CA LEU B 12 140.993 -3.224 -10.706 1.00 0.30 C ATOM 891 C LEU B 12 142.476 -3.159 -10.329 1.00 0.28 C ATOM 892 O LEU B 12 142.812 -3.151 -9.145 1.00 0.36 O ATOM 893 CB LEU B 12 140.611 -4.666 -11.070 1.00 0.32 C ATOM 894 CG LEU B 12 139.622 -5.354 -10.119 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.362 -6.024 -8.973 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.598 -4.359 -9.588 1.00 0.54 C ATOM 0 H LEU B 12 140.189 -2.780 -12.594 1.00 0.32 H new ATOM 0 HA LEU B 12 140.419 -2.896 -9.839 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.183 -4.667 -12.072 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.522 -5.264 -11.112 1.00 0.32 H new ATOM 0 HG LEU B 12 139.089 -6.121 -10.680 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.645 -6.506 -8.309 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.048 -6.772 -9.371 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.925 -5.275 -8.416 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.908 -4.870 -8.916 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.110 -3.564 -9.046 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.042 -3.930 -10.421 1.00 0.54 H new ATOM 908 N VAL B 13 143.361 -3.107 -11.332 1.00 0.25 N ATOM 909 CA VAL B 13 144.803 -3.037 -11.076 1.00 0.26 C ATOM 910 C VAL B 13 145.217 -1.661 -10.531 1.00 0.22 C ATOM 911 O VAL B 13 146.305 -1.510 -9.976 1.00 0.26 O ATOM 912 CB VAL B 13 145.627 -3.369 -12.346 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.841 -2.133 -13.211 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.960 -4.000 -11.966 1.00 0.52 C ATOM 0 H VAL B 13 143.106 -3.112 -12.320 1.00 0.25 H new ATOM 0 HA VAL B 13 145.020 -3.789 -10.317 1.00 0.26 H new ATOM 0 HB VAL B 13 145.058 -4.088 -12.936 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.422 -2.402 -14.093 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.875 -1.734 -13.521 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.379 -1.377 -12.639 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.526 -4.227 -12.870 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.528 -3.306 -11.347 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.782 -4.920 -11.409 1.00 0.52 H new ATOM 924 N LYS B 14 144.327 -0.675 -10.669 1.00 0.24 N ATOM 925 CA LYS B 14 144.580 0.672 -10.170 1.00 0.25 C ATOM 926 C LYS B 14 144.123 0.779 -8.716 1.00 0.22 C ATOM 927 O LYS B 14 144.866 1.250 -7.855 1.00 0.29 O ATOM 928 CB LYS B 14 143.854 1.707 -11.033 1.00 0.34 C ATOM 929 CG LYS B 14 144.350 3.130 -10.831 1.00 0.87 C ATOM 930 CD LYS B 14 143.794 4.067 -11.891 1.00 0.75 C ATOM 931 CE LYS B 14 144.453 5.437 -11.828 1.00 0.70 C ATOM 932 NZ LYS B 14 144.480 6.108 -13.159 1.00 0.72 N ATOM 0 H LYS B 14 143.422 -0.789 -11.125 1.00 0.24 H new ATOM 0 HA LYS B 14 145.650 0.872 -10.222 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.970 1.437 -12.083 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.788 1.669 -10.810 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.057 3.482 -9.842 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.439 3.145 -10.865 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.949 3.633 -12.879 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.718 4.174 -11.755 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.916 6.065 -11.117 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.472 5.332 -11.455 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.937 7.038 -13.070 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.014 5.522 -13.832 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.507 6.233 -13.505 1.00 0.72 H new ATOM 946 N HIS B 15 142.894 0.324 -8.458 1.00 0.24 N ATOM 947 CA HIS B 15 142.320 0.346 -7.113 1.00 0.27 C ATOM 948 C HIS B 15 143.080 -0.598 -6.177 1.00 0.25 C ATOM 949 O HIS B 15 143.252 -0.300 -4.993 1.00 0.45 O ATOM 950 CB HIS B 15 140.840 -0.054 -7.158 1.00 0.33 C ATOM 951 CG HIS B 15 139.948 0.975 -7.786 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.767 1.399 -7.210 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.064 1.664 -8.947 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.197 2.301 -7.990 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.964 2.479 -9.050 1.00 0.76 N ATOM 0 H HIS B 15 142.275 -0.066 -9.169 1.00 0.24 H new ATOM 0 HA HIS B 15 142.407 1.362 -6.728 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.744 -0.989 -7.710 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.495 -0.247 -6.142 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.872 1.586 -9.659 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.263 2.806 -7.794 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.771 3.119 -9.821 1.00 0.76 H new ATOM 964 N LYS B 16 143.539 -1.731 -6.719 1.00 0.21 N ATOM 965 CA LYS B 16 144.288 -2.716 -5.937 1.00 0.27 C ATOM 966 C LYS B 16 145.676 -2.189 -5.581 1.00 0.36 C ATOM 967 O LYS B 16 146.097 -2.277 -4.427 1.00 0.69 O ATOM 968 CB LYS B 16 144.411 -4.036 -6.704 1.00 0.35 C ATOM 969 CG LYS B 16 143.241 -4.981 -6.478 1.00 0.46 C ATOM 970 CD LYS B 16 143.290 -6.169 -7.426 1.00 0.49 C ATOM 971 CE LYS B 16 144.296 -7.215 -6.965 1.00 0.53 C ATOM 972 NZ LYS B 16 145.462 -7.311 -7.887 1.00 0.61 N ATOM 0 H LYS B 16 143.404 -1.987 -7.697 1.00 0.21 H new ATOM 0 HA LYS B 16 143.738 -2.896 -5.013 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.494 -3.821 -7.769 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.333 -4.535 -6.407 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.253 -5.336 -5.448 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.304 -4.441 -6.618 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.301 -6.621 -7.495 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.554 -5.826 -8.426 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.645 -6.965 -5.963 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.805 -8.186 -6.899 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.123 -8.034 -7.537 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.132 -7.574 -8.838 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.946 -6.392 -7.931 1.00 0.61 H new ATOM 986 N GLU B 17 146.378 -1.632 -6.574 1.00 0.30 N ATOM 987 CA GLU B 17 147.716 -1.081 -6.357 1.00 0.38 C ATOM 988 C GLU B 17 147.659 0.154 -5.456 1.00 0.32 C ATOM 989 O GLU B 17 148.572 0.394 -4.665 1.00 0.40 O ATOM 990 CB GLU B 17 148.371 -0.724 -7.694 1.00 0.51 C ATOM 991 CG GLU B 17 149.881 -0.563 -7.613 1.00 0.80 C ATOM 992 CD GLU B 17 150.436 0.315 -8.718 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.489 1.549 -8.526 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.817 -0.230 -9.776 1.00 1.47 O ATOM 0 H GLU B 17 146.041 -1.552 -7.533 1.00 0.30 H new ATOM 0 HA GLU B 17 148.317 -1.843 -5.861 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.136 -1.500 -8.422 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.935 0.204 -8.065 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.145 -0.134 -6.646 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.350 -1.545 -7.665 1.00 0.80 H new ATOM 1001 N LEU B 18 146.570 0.921 -5.568 1.00 0.32 N ATOM 1002 CA LEU B 18 146.384 2.117 -4.748 1.00 0.34 C ATOM 1003 C LEU B 18 146.258 1.733 -3.276 1.00 0.35 C ATOM 1004 O LEU B 18 146.808 2.404 -2.401 1.00 0.66 O ATOM 1005 CB LEU B 18 145.142 2.890 -5.201 1.00 0.51 C ATOM 1006 CG LEU B 18 145.423 4.092 -6.106 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.199 4.431 -6.945 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.857 5.292 -5.276 1.00 0.75 C ATOM 0 H LEU B 18 145.807 0.734 -6.218 1.00 0.32 H new ATOM 0 HA LEU B 18 147.256 2.760 -4.870 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.478 2.205 -5.728 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.606 3.237 -4.318 1.00 0.51 H new ATOM 0 HG LEU B 18 146.236 3.831 -6.783 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.420 5.288 -7.581 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.936 3.576 -7.567 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.363 4.672 -6.288 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.053 6.138 -5.935 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.066 5.554 -4.574 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.764 5.044 -4.724 1.00 0.75 H new ATOM 1020 N LEU B 19 145.542 0.634 -3.017 1.00 0.45 N ATOM 1021 CA LEU B 19 145.355 0.137 -1.657 1.00 0.47 C ATOM 1022 C LEU B 19 146.700 -0.215 -1.022 1.00 0.33 C ATOM 1023 O LEU B 19 146.890 -0.036 0.183 1.00 0.45 O ATOM 1024 CB LEU B 19 144.440 -1.094 -1.657 1.00 0.63 C ATOM 1025 CG LEU B 19 143.039 -0.863 -1.085 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.032 -1.797 -1.740 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.043 -1.051 0.427 1.00 0.96 C ATOM 0 H LEU B 19 145.083 0.073 -3.735 1.00 0.45 H new ATOM 0 HA LEU B 19 144.886 0.926 -1.069 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.342 -1.455 -2.681 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.923 -1.886 -1.085 1.00 0.63 H new ATOM 0 HG LEU B 19 142.743 0.163 -1.303 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.042 -1.617 -1.320 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.009 -1.612 -2.814 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.322 -2.831 -1.556 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.039 -0.883 0.817 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.360 -2.066 0.667 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.732 -0.339 0.880 1.00 0.96 H new ATOM 1039 N ARG B 20 147.636 -0.707 -1.844 1.00 0.35 N ATOM 1040 CA ARG B 20 148.968 -1.070 -1.361 1.00 0.49 C ATOM 1041 C ARG B 20 149.678 0.155 -0.799 1.00 0.40 C ATOM 1042 O ARG B 20 150.037 0.175 0.379 1.00 0.49 O ATOM 1043 CB ARG B 20 149.815 -1.693 -2.483 1.00 0.76 C ATOM 1044 CG ARG B 20 149.089 -2.751 -3.303 1.00 0.85 C ATOM 1045 CD ARG B 20 148.609 -3.909 -2.440 1.00 0.96 C ATOM 1046 NE ARG B 20 149.720 -4.628 -1.815 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.534 -5.466 -2.465 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.363 -5.707 -3.763 1.00 1.68 N ATOM 1049 NH2 ARG B 20 151.523 -6.067 -1.812 1.00 1.59 N ATOM 0 H ARG B 20 147.493 -0.861 -2.842 1.00 0.35 H new ATOM 0 HA ARG B 20 148.846 -1.810 -0.570 1.00 0.49 H new ATOM 0 HB2 ARG B 20 150.152 -0.900 -3.151 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.707 -2.140 -2.044 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.236 -2.297 -3.808 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.755 -3.129 -4.079 1.00 0.85 H new ATOM 0 HD2 ARG B 20 147.941 -3.531 -1.666 1.00 0.96 H new ATOM 0 HD3 ARG B 20 148.029 -4.600 -3.052 1.00 0.96 H new ATOM 0 HE ARG B 20 149.884 -4.480 -0.819 1.00 1.06 H new ATOM 0 HH11 ARG B 20 149.605 -5.251 -4.271 1.00 1.68 H new ATOM 0 HH12 ARG B 20 150.990 -6.348 -4.250 1.00 1.68 H new ATOM 0 HH21 ARG B 20 151.660 -5.889 -0.817 1.00 1.59 H new ATOM 0 HH22 ARG B 20 152.145 -6.707 -2.306 1.00 1.59 H new ATOM 1063 N ARG B 21 149.887 1.175 -1.645 1.00 0.35 N ATOM 1064 CA ARG B 21 150.561 2.407 -1.231 1.00 0.35 C ATOM 1065 C ARG B 21 150.041 2.920 0.108 1.00 0.34 C ATOM 1066 O ARG B 21 150.830 3.282 0.974 1.00 0.47 O ATOM 1067 CB ARG B 21 150.388 3.489 -2.302 1.00 0.45 C ATOM 1068 CG ARG B 21 151.574 3.612 -3.247 1.00 0.70 C ATOM 1069 CD ARG B 21 151.360 4.719 -4.268 1.00 0.98 C ATOM 1070 NE ARG B 21 152.602 5.087 -4.950 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.443 6.034 -4.522 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.190 6.713 -3.405 1.00 2.12 N ATOM 1073 NH2 ARG B 21 154.546 6.301 -5.214 1.00 1.53 N ATOM 0 H ARG B 21 149.596 1.167 -2.623 1.00 0.35 H new ATOM 0 HA ARG B 21 151.619 2.174 -1.111 1.00 0.35 H new ATOM 0 HB2 ARG B 21 149.493 3.271 -2.884 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.224 4.449 -1.812 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.478 3.814 -2.673 1.00 0.70 H new ATOM 0 HG3 ARG B 21 151.729 2.665 -3.763 1.00 0.70 H new ATOM 0 HD2 ARG B 21 150.625 4.395 -5.005 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.947 5.596 -3.770 1.00 0.98 H new ATOM 0 HE ARG B 21 152.841 4.589 -5.807 1.00 0.97 H new ATOM 0 HH11 ARG B 21 152.347 6.513 -2.866 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.839 7.433 -3.088 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.749 5.784 -6.069 1.00 1.53 H new ATOM 0 HH22 ARG B 21 155.189 7.023 -4.890 1.00 1.53 H new ATOM 1087 N LYS B 22 148.714 2.944 0.278 1.00 0.30 N ATOM 1088 CA LYS B 22 148.110 3.411 1.530 1.00 0.36 C ATOM 1089 C LYS B 22 148.837 2.810 2.734 1.00 0.31 C ATOM 1090 O LYS B 22 149.261 3.533 3.638 1.00 0.36 O ATOM 1091 CB LYS B 22 146.622 3.050 1.578 1.00 0.47 C ATOM 1092 CG LYS B 22 145.702 4.224 1.282 1.00 0.69 C ATOM 1093 CD LYS B 22 144.241 3.800 1.259 1.00 0.86 C ATOM 1094 CE LYS B 22 143.647 3.753 2.659 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.163 5.090 3.104 1.00 0.70 N ATOM 0 H LYS B 22 148.043 2.648 -0.430 1.00 0.30 H new ATOM 0 HA LYS B 22 148.206 4.496 1.570 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.426 2.255 0.859 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.385 2.653 2.565 1.00 0.47 H new ATOM 0 HG2 LYS B 22 145.845 4.998 2.036 1.00 0.69 H new ATOM 0 HG3 LYS B 22 145.969 4.663 0.321 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.670 4.496 0.644 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.154 2.818 0.794 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.820 3.043 2.679 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.398 3.387 3.360 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.766 5.014 4.062 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.957 5.762 3.110 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.428 5.428 2.451 1.00 0.70 H new ATOM 1109 N ASP B 23 148.994 1.485 2.722 1.00 0.32 N ATOM 1110 CA ASP B 23 149.688 0.774 3.793 1.00 0.32 C ATOM 1111 C ASP B 23 151.191 1.051 3.734 1.00 0.30 C ATOM 1112 O ASP B 23 151.774 1.569 4.685 1.00 0.37 O ATOM 1113 CB ASP B 23 149.431 -0.731 3.672 1.00 0.36 C ATOM 1114 CG ASP B 23 148.041 -1.124 4.132 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.114 -1.115 3.294 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.879 -1.441 5.330 1.00 1.11 O ATOM 0 H ASP B 23 148.647 0.881 1.977 1.00 0.32 H new ATOM 0 HA ASP B 23 149.306 1.128 4.750 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.566 -1.037 2.635 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.171 -1.271 4.262 1.00 0.36 H new ATOM 1121 N THR B 24 151.808 0.685 2.610 1.00 0.28 N ATOM 1122 CA THR B 24 153.248 0.876 2.407 1.00 0.29 C ATOM 1123 C THR B 24 153.710 2.275 2.834 1.00 0.27 C ATOM 1124 O THR B 24 154.801 2.428 3.382 1.00 0.32 O ATOM 1125 CB THR B 24 153.611 0.642 0.936 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.221 -0.656 0.517 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.092 0.797 0.650 1.00 0.55 C ATOM 0 H THR B 24 151.330 0.251 1.820 1.00 0.28 H new ATOM 0 HA THR B 24 153.762 0.148 3.035 1.00 0.29 H new ATOM 0 HB THR B 24 153.070 1.410 0.383 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.461 -0.782 -0.425 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.279 0.618 -0.409 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.409 1.807 0.909 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.655 0.077 1.244 1.00 0.55 H new ATOM 1135 N HIS B 25 152.879 3.287 2.577 1.00 0.26 N ATOM 1136 CA HIS B 25 153.212 4.666 2.930 1.00 0.29 C ATOM 1137 C HIS B 25 153.280 4.855 4.444 1.00 0.31 C ATOM 1138 O HIS B 25 154.290 5.332 4.961 1.00 0.41 O ATOM 1139 CB HIS B 25 152.202 5.644 2.324 1.00 0.34 C ATOM 1140 CG HIS B 25 152.836 6.858 1.720 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.700 7.680 2.413 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.734 7.385 0.476 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.101 8.660 1.623 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.530 8.504 0.443 1.00 0.74 N ATOM 0 H HIS B 25 151.971 3.176 2.126 1.00 0.26 H new ATOM 0 HA HIS B 25 154.198 4.877 2.516 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.622 5.128 1.559 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.501 5.957 3.098 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.138 6.998 -0.337 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.780 9.454 1.896 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.659 9.116 -0.363 1.00 0.74 H new ATOM 1153 N ILE B 26 152.209 4.481 5.154 1.00 0.29 N ATOM 1154 CA ILE B 26 152.186 4.622 6.610 1.00 0.35 C ATOM 1155 C ILE B 26 153.340 3.844 7.244 1.00 0.35 C ATOM 1156 O ILE B 26 154.038 4.367 8.114 1.00 0.47 O ATOM 1157 CB ILE B 26 150.838 4.178 7.237 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.474 2.746 6.831 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.727 5.142 6.837 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.291 2.181 7.586 1.00 0.68 C ATOM 0 H ILE B 26 151.361 4.085 4.750 1.00 0.29 H new ATOM 0 HA ILE B 26 152.303 5.685 6.821 1.00 0.35 H new ATOM 0 HB ILE B 26 150.952 4.197 8.321 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.256 2.725 5.763 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.338 2.101 6.992 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.787 4.819 7.284 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.971 6.144 7.189 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.628 5.153 5.752 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.093 1.165 7.245 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.513 2.169 8.653 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.414 2.802 7.405 1.00 0.68 H new ATOM 1172 N ARG B 27 153.544 2.598 6.798 1.00 0.31 N ATOM 1173 CA ARG B 27 154.623 1.756 7.315 1.00 0.37 C ATOM 1174 C ARG B 27 155.986 2.417 7.097 1.00 0.34 C ATOM 1175 O ARG B 27 156.860 2.348 7.964 1.00 0.39 O ATOM 1176 CB ARG B 27 154.595 0.379 6.644 1.00 0.46 C ATOM 1177 CG ARG B 27 155.510 -0.643 7.304 1.00 0.53 C ATOM 1178 CD ARG B 27 156.785 -0.851 6.501 1.00 0.80 C ATOM 1179 NE ARG B 27 157.553 -2.006 6.968 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.593 -2.528 6.312 1.00 0.92 C ATOM 1181 NH1 ARG B 27 159.001 -2.001 5.160 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.231 -3.582 6.812 1.00 1.67 N ATOM 0 H ARG B 27 152.973 2.153 6.079 1.00 0.31 H new ATOM 0 HA ARG B 27 154.468 1.631 8.387 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.573 -0.000 6.656 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.882 0.489 5.598 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.763 -0.310 8.311 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.984 -1.592 7.405 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.532 -0.987 5.450 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.403 0.044 6.567 1.00 0.80 H new ATOM 0 HE ARG B 27 157.277 -2.439 7.849 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.519 -1.191 4.770 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.796 -2.407 4.667 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.926 -3.991 7.695 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.025 -3.982 6.312 1.00 1.67 H new ATOM 1196 N GLU B 28 156.159 3.068 5.942 1.00 0.33 N ATOM 1197 CA GLU B 28 157.413 3.751 5.632 1.00 0.36 C ATOM 1198 C GLU B 28 157.577 4.974 6.536 1.00 0.35 C ATOM 1199 O GLU B 28 158.632 5.164 7.145 1.00 0.44 O ATOM 1200 CB GLU B 28 157.474 4.121 4.133 1.00 0.47 C ATOM 1201 CG GLU B 28 157.501 5.616 3.826 1.00 0.78 C ATOM 1202 CD GLU B 28 158.910 6.163 3.661 1.00 1.17 C ATOM 1203 OE1 GLU B 28 159.761 5.904 4.542 1.00 1.79 O ATOM 1204 OE2 GLU B 28 159.162 6.852 2.650 1.00 1.62 O ATOM 0 H GLU B 28 155.449 3.135 5.212 1.00 0.33 H new ATOM 0 HA GLU B 28 158.249 3.080 5.828 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.363 3.663 3.699 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.612 3.680 3.632 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.935 5.804 2.914 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.999 6.155 4.629 1.00 0.78 H new ATOM 1211 N LEU B 29 156.519 5.786 6.640 1.00 0.33 N ATOM 1212 CA LEU B 29 156.537 6.974 7.492 1.00 0.38 C ATOM 1213 C LEU B 29 156.593 6.592 8.978 1.00 0.42 C ATOM 1214 O LEU B 29 156.830 7.446 9.835 1.00 0.79 O ATOM 1215 CB LEU B 29 155.306 7.845 7.220 1.00 0.46 C ATOM 1216 CG LEU B 29 155.588 9.347 7.112 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.707 9.767 5.653 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.503 10.151 7.816 1.00 0.59 C ATOM 0 H LEU B 29 155.640 5.640 6.143 1.00 0.33 H new ATOM 0 HA LEU B 29 157.436 7.543 7.253 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.840 7.510 6.293 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.581 7.683 8.018 1.00 0.46 H new ATOM 0 HG LEU B 29 156.538 9.552 7.606 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.907 10.837 5.598 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.524 9.220 5.182 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.775 9.545 5.133 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.723 11.215 7.727 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.538 9.940 7.356 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.471 9.874 8.870 1.00 0.59 H new ATOM 1230 N GLU B 30 156.409 5.298 9.270 1.00 0.43 N ATOM 1231 CA GLU B 30 156.475 4.798 10.639 1.00 0.45 C ATOM 1232 C GLU B 30 157.931 4.733 11.103 1.00 0.44 C ATOM 1233 O GLU B 30 158.218 4.869 12.293 1.00 0.58 O ATOM 1234 CB GLU B 30 155.816 3.419 10.745 1.00 0.51 C ATOM 1235 CG GLU B 30 154.399 3.464 11.294 1.00 0.58 C ATOM 1236 CD GLU B 30 154.356 3.426 12.810 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.596 4.479 13.438 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.084 2.343 13.369 1.00 1.26 O ATOM 0 H GLU B 30 156.213 4.581 8.571 1.00 0.43 H new ATOM 0 HA GLU B 30 155.930 5.485 11.287 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.800 2.956 9.758 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.425 2.782 11.386 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.907 4.371 10.943 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.833 2.621 10.897 1.00 0.58 H new ATOM 1245 N ASP B 31 158.849 4.556 10.144 1.00 0.41 N ATOM 1246 CA ASP B 31 160.279 4.510 10.437 1.00 0.55 C ATOM 1247 C ASP B 31 160.851 5.929 10.534 1.00 0.57 C ATOM 1248 O ASP B 31 161.853 6.158 11.214 1.00 0.76 O ATOM 1249 CB ASP B 31 161.025 3.716 9.359 1.00 0.69 C ATOM 1250 CG ASP B 31 162.033 2.747 9.948 1.00 1.28 C ATOM 1251 OD1 ASP B 31 163.145 3.192 10.306 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.711 1.545 10.052 1.00 1.74 O ATOM 0 H ASP B 31 158.621 4.442 9.156 1.00 0.41 H new ATOM 0 HA ASP B 31 160.415 4.009 11.396 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.305 3.164 8.754 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.538 4.408 8.691 1.00 0.69 H new ATOM 1257 N TYR B 32 160.188 6.880 9.864 1.00 0.49 N ATOM 1258 CA TYR B 32 160.606 8.280 9.887 1.00 0.56 C ATOM 1259 C TYR B 32 160.373 8.875 11.275 1.00 0.56 C ATOM 1260 O TYR B 32 161.227 9.584 11.809 1.00 0.67 O ATOM 1261 CB TYR B 32 159.839 9.093 8.838 1.00 0.60 C ATOM 1262 CG TYR B 32 160.404 8.989 7.435 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.772 8.871 7.217 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.565 9.018 6.328 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.286 8.784 5.938 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.071 8.932 5.046 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.432 8.815 4.856 1.00 1.21 C ATOM 1268 OH TYR B 32 161.939 8.730 3.580 1.00 1.53 O ATOM 0 H TYR B 32 159.358 6.701 9.299 1.00 0.49 H new ATOM 0 HA TYR B 32 161.669 8.323 9.651 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.801 8.761 8.825 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.834 10.141 9.139 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.444 8.847 8.062 1.00 1.15 H new ATOM 0 HD2 TYR B 32 158.499 9.109 6.473 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.351 8.692 5.786 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.404 8.956 4.197 1.00 1.17 H new ATOM 0 HH TYR B 32 161.204 8.765 2.933 1.00 1.53 H new ATOM 1278 N ILE B 33 159.212 8.563 11.857 1.00 0.54 N ATOM 1279 CA ILE B 33 158.857 9.045 13.190 1.00 0.64 C ATOM 1280 C ILE B 33 159.521 8.195 14.284 1.00 0.58 C ATOM 1281 O ILE B 33 159.537 8.581 15.454 1.00 0.78 O ATOM 1282 CB ILE B 33 157.324 9.040 13.405 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.611 9.698 12.218 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.963 9.752 14.703 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.203 9.187 11.996 1.00 0.87 C ATOM 0 H ILE B 33 158.500 7.976 11.422 1.00 0.54 H new ATOM 0 HA ILE B 33 159.221 10.070 13.261 1.00 0.64 H new ATOM 0 HB ILE B 33 156.992 8.004 13.476 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.576 10.776 12.378 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.196 9.529 11.314 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.881 9.738 14.837 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.439 9.243 15.541 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.310 10.784 14.660 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.761 9.698 11.140 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.231 8.114 11.804 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.601 9.381 12.884 1.00 0.87 H new ATOM 1297 N ASP B 34 160.087 7.046 13.891 1.00 0.46 N ATOM 1298 CA ASP B 34 160.767 6.160 14.835 1.00 0.50 C ATOM 1299 C ASP B 34 162.041 6.814 15.374 1.00 0.40 C ATOM 1300 O ASP B 34 162.411 6.597 16.521 1.00 0.45 O ATOM 1301 CB ASP B 34 161.109 4.824 14.169 1.00 0.69 C ATOM 1302 CG ASP B 34 160.441 3.647 14.856 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.792 3.361 16.021 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.568 3.011 14.228 1.00 1.46 O ATOM 0 H ASP B 34 160.086 6.712 12.927 1.00 0.46 H new ATOM 0 HA ASP B 34 160.090 5.976 15.669 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.802 4.853 13.124 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.190 4.682 14.180 1.00 0.69 H new ATOM 1309 N ASN B 35 162.697 7.618 14.532 1.00 0.52 N ATOM 1310 CA ASN B 35 163.927 8.321 14.911 1.00 0.58 C ATOM 1311 C ASN B 35 163.796 8.948 16.301 1.00 0.49 C ATOM 1312 O ASN B 35 164.746 8.935 17.085 1.00 0.61 O ATOM 1313 CB ASN B 35 164.265 9.401 13.880 1.00 0.78 C ATOM 1314 CG ASN B 35 164.919 8.828 12.636 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.139 8.672 12.580 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.111 8.511 11.629 1.00 1.31 N ATOM 0 H ASN B 35 162.394 7.799 13.575 1.00 0.52 H new ATOM 0 HA ASN B 35 164.735 7.590 14.938 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.354 9.928 13.598 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.931 10.135 14.332 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.497 8.122 10.768 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.105 8.656 11.717 1.00 1.31 H new ATOM 1323 N LEU B 36 162.608 9.480 16.602 1.00 0.44 N ATOM 1324 CA LEU B 36 162.346 10.092 17.904 1.00 0.51 C ATOM 1325 C LEU B 36 162.365 9.028 19.003 1.00 0.47 C ATOM 1326 O LEU B 36 162.981 9.219 20.053 1.00 0.59 O ATOM 1327 CB LEU B 36 160.994 10.821 17.907 1.00 0.71 C ATOM 1328 CG LEU B 36 160.631 11.557 16.610 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.283 12.250 16.749 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.713 12.563 16.238 1.00 1.64 C ATOM 0 H LEU B 36 161.814 9.498 15.961 1.00 0.44 H new ATOM 0 HA LEU B 36 163.132 10.822 18.098 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.211 10.094 18.122 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.993 11.542 18.725 1.00 0.71 H new ATOM 0 HG LEU B 36 160.560 10.821 15.809 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.042 12.767 15.820 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.513 11.509 16.962 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.327 12.972 17.565 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.434 13.073 15.316 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.820 13.295 17.039 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.660 12.042 16.093 1.00 1.64 H new ATOM 1342 N LEU B 37 161.693 7.902 18.744 1.00 0.41 N ATOM 1343 CA LEU B 37 161.634 6.796 19.697 1.00 0.48 C ATOM 1344 C LEU B 37 162.231 5.519 19.094 1.00 0.41 C ATOM 1345 O LEU B 37 161.550 4.498 18.972 1.00 0.54 O ATOM 1346 CB LEU B 37 160.184 6.549 20.136 1.00 0.65 C ATOM 1347 CG LEU B 37 159.172 6.387 18.995 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.143 5.319 19.339 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.487 7.715 18.695 1.00 0.69 C ATOM 0 H LEU B 37 161.181 7.735 17.878 1.00 0.41 H new ATOM 0 HA LEU B 37 162.226 7.068 20.571 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.157 5.651 20.754 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.866 7.380 20.766 1.00 0.65 H new ATOM 0 HG LEU B 37 159.710 6.069 18.102 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.434 5.219 18.517 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.647 4.366 19.501 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.610 5.606 20.245 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.773 7.581 17.883 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.963 8.063 19.585 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.235 8.452 18.402 1.00 0.69 H new ATOM 1361 N VAL B 38 163.511 5.583 18.713 1.00 0.36 N ATOM 1362 CA VAL B 38 164.200 4.434 18.119 1.00 0.49 C ATOM 1363 C VAL B 38 163.980 3.172 18.959 1.00 0.67 C ATOM 1364 O VAL B 38 163.742 3.260 20.164 1.00 1.35 O ATOM 1365 CB VAL B 38 165.718 4.705 17.971 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.448 3.476 17.447 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.960 5.900 17.058 1.00 0.89 C ATOM 0 H VAL B 38 164.090 6.418 18.805 1.00 0.36 H new ATOM 0 HA VAL B 38 163.777 4.278 17.127 1.00 0.49 H new ATOM 0 HB VAL B 38 166.116 4.935 18.959 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.511 3.697 17.354 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.309 2.647 18.141 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.047 3.203 16.471 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.032 6.076 16.965 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.539 5.697 16.073 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.482 6.784 17.481 1.00 0.89 H new ATOM 1377 N ARG B 39 164.038 2.009 18.300 1.00 0.54 N ATOM 1378 CA ARG B 39 163.822 0.712 18.956 1.00 0.62 C ATOM 1379 C ARG B 39 164.673 0.550 20.221 1.00 0.51 C ATOM 1380 O ARG B 39 165.756 -0.039 20.187 1.00 0.63 O ATOM 1381 CB ARG B 39 164.112 -0.432 17.976 1.00 0.93 C ATOM 1382 CG ARG B 39 162.869 -0.969 17.282 1.00 1.15 C ATOM 1383 CD ARG B 39 163.108 -1.194 15.796 1.00 1.41 C ATOM 1384 NE ARG B 39 162.847 -2.578 15.400 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.743 -3.567 15.485 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.967 -3.335 15.956 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.412 -4.795 15.099 1.00 2.18 N ATOM 0 H ARG B 39 164.235 1.939 17.302 1.00 0.54 H new ATOM 0 HA ARG B 39 162.776 0.675 19.261 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.817 -0.083 17.222 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.598 -1.246 18.514 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.568 -1.907 17.748 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.045 -0.268 17.416 1.00 1.15 H new ATOM 0 HD2 ARG B 39 162.467 -0.526 15.221 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.138 -0.936 15.552 1.00 1.41 H new ATOM 0 HE ARG B 39 161.921 -2.803 15.035 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.228 -2.396 16.256 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.643 -4.096 16.017 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.476 -4.981 14.739 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.094 -5.551 15.163 1.00 2.18 H new ATOM 1401 N VAL B 40 164.160 1.075 21.336 1.00 0.43 N ATOM 1402 CA VAL B 40 164.840 1.002 22.628 1.00 0.56 C ATOM 1403 C VAL B 40 163.817 1.056 23.768 1.00 0.71 C ATOM 1404 O VAL B 40 163.700 2.064 24.469 1.00 1.15 O ATOM 1405 CB VAL B 40 165.866 2.150 22.808 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.606 2.010 24.132 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.854 2.190 21.649 1.00 0.65 C ATOM 0 H VAL B 40 163.264 1.561 21.367 1.00 0.43 H new ATOM 0 HA VAL B 40 165.380 0.055 22.655 1.00 0.56 H new ATOM 0 HB VAL B 40 165.315 3.090 22.817 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.321 2.826 24.237 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.891 2.046 24.954 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.136 1.058 24.153 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.562 3.005 21.802 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.394 1.245 21.599 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.314 2.349 20.716 1.00 0.65 H new ATOM 1417 N MET B 41 163.068 -0.035 23.937 1.00 0.60 N ATOM 1418 CA MET B 41 162.046 -0.114 24.981 1.00 0.74 C ATOM 1419 C MET B 41 162.417 -1.158 26.033 1.00 0.91 C ATOM 1420 O MET B 41 162.657 -2.326 25.655 1.00 0.91 O ATOM 1421 CB MET B 41 160.678 -0.446 24.370 1.00 0.73 C ATOM 1422 CG MET B 41 160.306 0.428 23.180 1.00 0.74 C ATOM 1423 SD MET B 41 159.840 -0.535 21.728 1.00 0.86 S ATOM 1424 CE MET B 41 159.821 0.735 20.464 1.00 0.70 C ATOM 1425 OXT MET B 41 162.466 -0.798 27.228 1.00 1.13 O ATOM 0 H MET B 41 163.150 -0.875 23.365 1.00 0.60 H new ATOM 0 HA MET B 41 161.989 0.859 25.468 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.675 -1.490 24.057 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.912 -0.341 25.139 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.479 1.081 23.459 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.149 1.071 22.929 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.584 0.285 19.500 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.068 1.483 20.711 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.800 1.210 20.411 1.00 0.70 H new