USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=10 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 81:sc= 0.39 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.555 K(o=-0.56,f=0.024) 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 74:sc= 0.202 USER MOD Single : A 25 HIS : no HD1:sc=-0.00359 X(o=-0.0036,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.259 X(o=0.26,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 67:sc= 1.03 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-1.2) 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 71:sc= 0.2 USER MOD Single : B 25 HIS : no HD1:sc=-0.00278 X(o=-0.0028,f=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.271 -18.656 -18.992 1.00 0.77 N ATOM 2 CA GLY A 1 131.005 -18.651 -18.208 1.00 0.81 C ATOM 3 C GLY A 1 130.867 -17.422 -17.331 1.00 0.65 C ATOM 4 O GLY A 1 130.181 -16.466 -17.697 1.00 0.70 O ATOM 0 H1 GLY A 1 132.315 -19.517 -19.574 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.301 -17.819 -19.609 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.082 -18.636 -18.342 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.158 -18.701 -18.892 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.965 -19.544 -17.584 1.00 0.81 H new ATOM 10 N SER A 2 131.522 -17.446 -16.169 1.00 0.55 N ATOM 11 CA SER A 2 131.470 -16.323 -15.233 1.00 0.48 C ATOM 12 C SER A 2 132.664 -15.394 -15.409 1.00 0.47 C ATOM 13 O SER A 2 132.527 -14.190 -15.221 1.00 0.71 O ATOM 14 CB SER A 2 131.397 -16.827 -13.790 1.00 0.54 C ATOM 15 OG SER A 2 130.138 -17.420 -13.519 1.00 0.67 O ATOM 0 H SER A 2 132.094 -18.230 -15.854 1.00 0.55 H new ATOM 0 HA SER A 2 130.567 -15.753 -15.452 1.00 0.48 H new ATOM 0 HB2 SER A 2 132.190 -17.554 -13.615 1.00 0.54 H new ATOM 0 HB3 SER A 2 131.567 -15.998 -13.103 1.00 0.54 H new ATOM 0 HG SER A 2 130.118 -17.735 -12.591 1.00 0.67 H new ATOM 21 N LEU A 3 133.822 -15.943 -15.793 1.00 0.38 N ATOM 22 CA LEU A 3 135.016 -15.117 -16.022 1.00 0.43 C ATOM 23 C LEU A 3 134.788 -14.274 -17.276 1.00 0.53 C ATOM 24 O LEU A 3 135.347 -14.542 -18.342 1.00 0.88 O ATOM 25 CB LEU A 3 136.295 -15.970 -16.158 1.00 0.48 C ATOM 26 CG LEU A 3 136.091 -17.470 -16.410 1.00 0.85 C ATOM 27 CD1 LEU A 3 137.273 -18.049 -17.172 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.892 -18.211 -15.093 1.00 1.42 C ATOM 0 H LEU A 3 133.959 -16.941 -15.950 1.00 0.38 H new ATOM 0 HA LEU A 3 135.168 -14.471 -15.158 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.891 -15.564 -16.975 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.882 -15.853 -15.247 1.00 0.48 H new ATOM 0 HG LEU A 3 135.194 -17.597 -17.016 1.00 0.85 H new ATOM 0 HD11 LEU A 3 137.111 -19.113 -17.341 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.372 -17.540 -18.131 1.00 1.05 H new ATOM 0 HD13 LEU A 3 138.184 -17.909 -16.591 1.00 1.05 H new ATOM 0 HD21 LEU A 3 135.749 -19.273 -15.291 1.00 1.42 H new ATOM 0 HD22 LEU A 3 136.771 -18.075 -14.462 1.00 1.42 H new ATOM 0 HD23 LEU A 3 135.014 -17.816 -14.582 1.00 1.42 H new ATOM 40 N THR A 4 133.898 -13.292 -17.138 1.00 0.41 N ATOM 41 CA THR A 4 133.499 -12.431 -18.240 1.00 0.49 C ATOM 42 C THR A 4 133.475 -10.952 -17.835 1.00 0.39 C ATOM 43 O THR A 4 134.138 -10.544 -16.880 1.00 0.39 O ATOM 44 CB THR A 4 132.130 -12.889 -18.770 1.00 0.65 C ATOM 45 OG1 THR A 4 131.165 -12.903 -17.730 1.00 0.64 O ATOM 46 CG2 THR A 4 132.160 -14.274 -19.380 1.00 0.80 C ATOM 0 H THR A 4 133.435 -13.074 -16.256 1.00 0.41 H new ATOM 0 HA THR A 4 134.240 -12.518 -19.035 1.00 0.49 H new ATOM 0 HB THR A 4 131.866 -12.169 -19.545 1.00 0.65 H new ATOM 0 HG1 THR A 4 130.301 -13.196 -18.089 1.00 0.64 H new ATOM 0 HG21 THR A 4 131.163 -14.537 -19.734 1.00 0.80 H new ATOM 0 HG22 THR A 4 132.858 -14.288 -20.217 1.00 0.80 H new ATOM 0 HG23 THR A 4 132.480 -14.996 -18.628 1.00 0.80 H new ATOM 54 N TYR A 5 132.698 -10.163 -18.578 1.00 0.48 N ATOM 55 CA TYR A 5 132.570 -8.729 -18.318 1.00 0.46 C ATOM 56 C TYR A 5 131.604 -8.464 -17.163 1.00 0.42 C ATOM 57 O TYR A 5 131.809 -7.540 -16.375 1.00 0.47 O ATOM 58 CB TYR A 5 132.103 -7.990 -19.579 1.00 0.59 C ATOM 59 CG TYR A 5 132.320 -6.487 -19.533 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.148 -5.904 -18.577 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.691 -5.651 -20.449 1.00 0.81 C ATOM 62 CE1 TYR A 5 133.340 -4.536 -18.537 1.00 0.69 C ATOM 63 CE2 TYR A 5 131.880 -4.282 -20.415 1.00 0.90 C ATOM 64 CZ TYR A 5 132.705 -3.730 -19.457 1.00 0.65 C ATOM 65 OH TYR A 5 132.891 -2.366 -19.419 1.00 0.79 O ATOM 0 H TYR A 5 132.145 -10.495 -19.368 1.00 0.48 H new ATOM 0 HA TYR A 5 133.553 -8.352 -18.035 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.631 -8.396 -20.442 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.042 -8.189 -19.732 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.649 -6.532 -17.855 1.00 0.71 H new ATOM 0 HD2 TYR A 5 131.043 -6.079 -21.200 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.985 -4.100 -17.788 1.00 0.69 H new ATOM 0 HE2 TYR A 5 131.384 -3.648 -21.135 1.00 0.90 H new ATOM 0 HH TYR A 5 133.735 -2.139 -19.862 1.00 0.79 H new ATOM 75 N GLU A 6 130.557 -9.286 -17.060 1.00 0.48 N ATOM 76 CA GLU A 6 129.568 -9.144 -15.990 1.00 0.50 C ATOM 77 C GLU A 6 130.142 -9.568 -14.631 1.00 0.38 C ATOM 78 O GLU A 6 129.527 -9.323 -13.592 1.00 0.47 O ATOM 79 CB GLU A 6 128.321 -9.975 -16.308 1.00 0.60 C ATOM 80 CG GLU A 6 127.415 -9.338 -17.349 1.00 0.65 C ATOM 81 CD GLU A 6 126.321 -10.277 -17.823 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.554 -11.012 -18.806 1.00 1.16 O ATOM 83 OE2 GLU A 6 125.232 -10.276 -17.211 1.00 0.99 O ATOM 0 H GLU A 6 130.373 -10.056 -17.704 1.00 0.48 H new ATOM 0 HA GLU A 6 129.297 -8.090 -15.929 1.00 0.50 H new ATOM 0 HB2 GLU A 6 128.630 -10.959 -16.661 1.00 0.60 H new ATOM 0 HB3 GLU A 6 127.754 -10.129 -15.390 1.00 0.60 H new ATOM 0 HG2 GLU A 6 126.961 -8.440 -16.930 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.014 -9.024 -18.203 1.00 0.65 H new ATOM 90 N GLU A 7 131.321 -10.202 -14.644 1.00 0.30 N ATOM 91 CA GLU A 7 131.968 -10.651 -13.413 1.00 0.29 C ATOM 92 C GLU A 7 132.940 -9.599 -12.885 1.00 0.28 C ATOM 93 O GLU A 7 133.076 -9.434 -11.670 1.00 0.46 O ATOM 94 CB GLU A 7 132.703 -11.973 -13.653 1.00 0.40 C ATOM 95 CG GLU A 7 133.649 -12.377 -12.528 1.00 0.56 C ATOM 96 CD GLU A 7 135.094 -12.007 -12.816 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.708 -12.647 -13.695 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.612 -11.078 -12.160 1.00 0.81 O ATOM 0 H GLU A 7 131.843 -10.414 -15.494 1.00 0.30 H new ATOM 0 HA GLU A 7 131.193 -10.804 -12.662 1.00 0.29 H new ATOM 0 HB2 GLU A 7 131.967 -12.764 -13.795 1.00 0.40 H new ATOM 0 HB3 GLU A 7 133.271 -11.896 -14.580 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.333 -11.896 -11.602 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.579 -13.453 -12.368 1.00 0.56 H new ATOM 105 N VAL A 8 133.608 -8.878 -13.791 1.00 0.34 N ATOM 106 CA VAL A 8 134.553 -7.841 -13.392 1.00 0.36 C ATOM 107 C VAL A 8 133.816 -6.648 -12.778 1.00 0.28 C ATOM 108 O VAL A 8 134.303 -6.034 -11.828 1.00 0.39 O ATOM 109 CB VAL A 8 135.417 -7.381 -14.593 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.697 -6.334 -15.432 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.764 -6.858 -14.117 1.00 0.77 C ATOM 0 H VAL A 8 133.510 -8.996 -14.799 1.00 0.34 H new ATOM 0 HA VAL A 8 135.217 -8.266 -12.639 1.00 0.36 H new ATOM 0 HB VAL A 8 135.589 -8.250 -15.228 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.333 -6.035 -16.265 1.00 0.46 H new ATOM 0 HG12 VAL A 8 133.767 -6.753 -15.817 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.474 -5.463 -14.815 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.355 -6.540 -14.976 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.610 -6.011 -13.449 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.294 -7.648 -13.584 1.00 0.77 H new ATOM 121 N LEU A 9 132.638 -6.329 -13.329 1.00 0.36 N ATOM 122 CA LEU A 9 131.828 -5.217 -12.834 1.00 0.49 C ATOM 123 C LEU A 9 131.571 -5.365 -11.335 1.00 0.53 C ATOM 124 O LEU A 9 131.818 -4.435 -10.564 1.00 0.73 O ATOM 125 CB LEU A 9 130.498 -5.144 -13.592 1.00 0.66 C ATOM 126 CG LEU A 9 130.598 -4.613 -15.025 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.455 -5.147 -15.875 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.604 -3.090 -15.030 1.00 0.72 C ATOM 0 H LEU A 9 132.227 -6.828 -14.118 1.00 0.36 H new ATOM 0 HA LEU A 9 132.379 -4.292 -13.003 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.058 -6.141 -13.620 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.812 -4.508 -13.032 1.00 0.66 H new ATOM 0 HG LEU A 9 131.536 -4.962 -15.456 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.544 -4.758 -16.890 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.497 -6.236 -15.899 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.504 -4.830 -15.447 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.676 -2.730 -16.056 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.683 -2.721 -14.579 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.458 -2.728 -14.458 1.00 0.72 H new ATOM 140 N GLN A 10 131.085 -6.542 -10.925 1.00 0.42 N ATOM 141 CA GLN A 10 130.809 -6.814 -9.514 1.00 0.49 C ATOM 142 C GLN A 10 132.091 -6.771 -8.677 1.00 0.43 C ATOM 143 O GLN A 10 132.039 -6.557 -7.466 1.00 0.50 O ATOM 144 CB GLN A 10 130.133 -8.180 -9.359 1.00 0.60 C ATOM 145 CG GLN A 10 128.615 -8.105 -9.291 1.00 0.69 C ATOM 146 CD GLN A 10 128.106 -7.793 -7.896 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.120 -6.641 -7.462 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.652 -8.820 -7.184 1.00 0.84 N ATOM 0 H GLN A 10 130.876 -7.319 -11.551 1.00 0.42 H new ATOM 0 HA GLN A 10 130.138 -6.036 -9.150 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.420 -8.815 -10.197 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.506 -8.660 -8.454 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.262 -7.339 -9.982 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.193 -9.053 -9.624 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.658 -9.759 -7.582 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.297 -8.669 -6.240 1.00 0.84 H new ATOM 157 N GLU A 11 133.242 -6.967 -9.327 1.00 0.41 N ATOM 158 CA GLU A 11 134.526 -6.935 -8.636 1.00 0.44 C ATOM 159 C GLU A 11 134.833 -5.520 -8.152 1.00 0.40 C ATOM 160 O GLU A 11 135.033 -5.299 -6.956 1.00 0.56 O ATOM 161 CB GLU A 11 135.645 -7.433 -9.558 1.00 0.52 C ATOM 162 CG GLU A 11 136.412 -8.622 -9.003 1.00 0.63 C ATOM 163 CD GLU A 11 137.775 -8.787 -9.647 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.865 -9.487 -10.678 1.00 1.64 O ATOM 165 OE2 GLU A 11 138.754 -8.214 -9.122 1.00 1.54 O ATOM 0 H GLU A 11 133.307 -7.149 -10.329 1.00 0.41 H new ATOM 0 HA GLU A 11 134.468 -7.596 -7.772 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.215 -7.707 -10.521 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.343 -6.616 -9.742 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.535 -8.500 -7.927 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.829 -9.530 -9.157 1.00 0.63 H new ATOM 172 N LEU A 12 134.873 -4.563 -9.088 1.00 0.34 N ATOM 173 CA LEU A 12 135.159 -3.163 -8.768 1.00 0.34 C ATOM 174 C LEU A 12 134.266 -2.636 -7.643 1.00 0.31 C ATOM 175 O LEU A 12 134.749 -1.941 -6.748 1.00 0.39 O ATOM 176 CB LEU A 12 134.983 -2.293 -10.022 1.00 0.36 C ATOM 177 CG LEU A 12 135.779 -0.981 -10.046 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.206 0.018 -9.051 1.00 0.65 C ATOM 179 CD2 LEU A 12 137.254 -1.237 -9.761 1.00 0.59 C ATOM 0 H LEU A 12 134.709 -4.737 -10.080 1.00 0.34 H new ATOM 0 HA LEU A 12 136.191 -3.111 -8.422 1.00 0.34 H new ATOM 0 HB2 LEU A 12 135.267 -2.884 -10.893 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.925 -2.055 -10.130 1.00 0.36 H new ATOM 0 HG LEU A 12 135.694 -0.554 -11.045 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.786 0.940 -9.086 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.168 0.232 -9.307 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.252 -0.402 -8.046 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.798 -0.293 -9.783 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.360 -1.694 -8.777 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.660 -1.908 -10.518 1.00 0.59 H new ATOM 191 N VAL A 13 132.965 -2.952 -7.694 1.00 0.26 N ATOM 192 CA VAL A 13 132.035 -2.483 -6.668 1.00 0.26 C ATOM 193 C VAL A 13 132.539 -2.849 -5.268 1.00 0.22 C ATOM 194 O VAL A 13 132.703 -1.967 -4.425 1.00 0.24 O ATOM 195 CB VAL A 13 130.583 -2.993 -6.908 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.285 -4.289 -6.165 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.579 -1.915 -6.522 1.00 0.53 C ATOM 0 H VAL A 13 132.541 -3.523 -8.425 1.00 0.26 H new ATOM 0 HA VAL A 13 131.995 -1.396 -6.739 1.00 0.26 H new ATOM 0 HB VAL A 13 130.491 -3.212 -7.972 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.260 -4.598 -6.369 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.971 -5.067 -6.500 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.410 -4.131 -5.094 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.567 -2.282 -6.694 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.700 -1.665 -5.468 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.750 -1.025 -7.128 1.00 0.53 H new ATOM 207 N LYS A 14 132.774 -4.144 -5.017 1.00 0.24 N ATOM 208 CA LYS A 14 133.252 -4.610 -3.712 1.00 0.23 C ATOM 209 C LYS A 14 134.456 -3.805 -3.219 1.00 0.21 C ATOM 210 O LYS A 14 134.590 -3.564 -2.020 1.00 0.28 O ATOM 211 CB LYS A 14 133.615 -6.095 -3.784 1.00 0.30 C ATOM 212 CG LYS A 14 132.404 -7.013 -3.833 1.00 0.84 C ATOM 213 CD LYS A 14 132.801 -8.448 -4.145 1.00 0.68 C ATOM 214 CE LYS A 14 133.131 -9.225 -2.878 1.00 0.73 C ATOM 215 NZ LYS A 14 132.675 -10.641 -2.958 1.00 0.75 N ATOM 0 H LYS A 14 132.640 -4.887 -5.703 1.00 0.24 H new ATOM 0 HA LYS A 14 132.442 -4.463 -2.998 1.00 0.23 H new ATOM 0 HB2 LYS A 14 134.229 -6.269 -4.668 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.223 -6.355 -2.918 1.00 0.30 H new ATOM 0 HG2 LYS A 14 131.882 -6.979 -2.877 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.706 -6.655 -4.590 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.988 -8.944 -4.676 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.665 -8.451 -4.810 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.207 -9.200 -2.707 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.661 -8.740 -2.022 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.919 -11.135 -2.076 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.644 -10.667 -3.096 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.143 -11.112 -3.759 1.00 0.75 H new ATOM 229 N HIS A 15 135.323 -3.381 -4.144 1.00 0.25 N ATOM 230 CA HIS A 15 136.504 -2.592 -3.786 1.00 0.27 C ATOM 231 C HIS A 15 136.101 -1.208 -3.274 1.00 0.23 C ATOM 232 O HIS A 15 136.694 -0.692 -2.325 1.00 0.43 O ATOM 233 CB HIS A 15 137.435 -2.443 -4.995 1.00 0.33 C ATOM 234 CG HIS A 15 138.333 -3.621 -5.217 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.676 -3.614 -4.904 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.075 -4.848 -5.730 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.205 -4.784 -5.216 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.254 -5.550 -5.718 1.00 0.72 N ATOM 0 H HIS A 15 135.229 -3.570 -5.142 1.00 0.25 H new ATOM 0 HA HIS A 15 137.031 -3.120 -2.991 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.832 -2.285 -5.889 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.048 -1.551 -4.862 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.119 -5.207 -6.083 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.239 -5.066 -5.083 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.376 -6.509 -6.044 1.00 0.72 H new ATOM 247 N LYS A 16 135.091 -0.614 -3.915 1.00 0.21 N ATOM 248 CA LYS A 16 134.603 0.711 -3.537 1.00 0.25 C ATOM 249 C LYS A 16 133.873 0.676 -2.193 1.00 0.32 C ATOM 250 O LYS A 16 134.167 1.479 -1.306 1.00 0.62 O ATOM 251 CB LYS A 16 133.673 1.264 -4.621 1.00 0.37 C ATOM 252 CG LYS A 16 134.381 1.577 -5.930 1.00 0.50 C ATOM 253 CD LYS A 16 133.452 2.270 -6.915 1.00 0.57 C ATOM 254 CE LYS A 16 133.397 3.771 -6.673 1.00 0.59 C ATOM 255 NZ LYS A 16 132.011 4.305 -6.796 1.00 0.66 N ATOM 0 H LYS A 16 134.595 -1.034 -4.701 1.00 0.21 H new ATOM 0 HA LYS A 16 135.468 1.366 -3.436 1.00 0.25 H new ATOM 0 HB2 LYS A 16 132.880 0.541 -4.811 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.196 2.171 -4.250 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.245 2.212 -5.735 1.00 0.50 H new ATOM 0 HG3 LYS A 16 134.757 0.654 -6.371 1.00 0.50 H new ATOM 0 HD2 LYS A 16 133.791 2.077 -7.933 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.450 1.850 -6.828 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.784 3.992 -5.678 1.00 0.59 H new ATOM 0 HE3 LYS A 16 134.046 4.278 -7.388 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 132.018 5.331 -6.624 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.650 4.117 -7.753 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.397 3.841 -6.097 1.00 0.66 H new ATOM 269 N GLU A 17 132.923 -0.254 -2.046 1.00 0.32 N ATOM 270 CA GLU A 17 132.157 -0.382 -0.802 1.00 0.39 C ATOM 271 C GLU A 17 133.055 -0.793 0.366 1.00 0.32 C ATOM 272 O GLU A 17 132.828 -0.373 1.503 1.00 0.40 O ATOM 273 CB GLU A 17 131.010 -1.387 -0.965 1.00 0.51 C ATOM 274 CG GLU A 17 131.452 -2.764 -1.442 1.00 0.80 C ATOM 275 CD GLU A 17 130.418 -3.442 -2.324 1.00 1.08 C ATOM 276 OE1 GLU A 17 129.938 -2.800 -3.283 1.00 1.43 O ATOM 277 OE2 GLU A 17 130.092 -4.618 -2.058 1.00 1.47 O ATOM 0 H GLU A 17 132.667 -0.926 -2.769 1.00 0.32 H new ATOM 0 HA GLU A 17 131.734 0.597 -0.579 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.496 -1.493 -0.010 1.00 0.51 H new ATOM 0 HB3 GLU A 17 130.286 -0.984 -1.673 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.387 -2.669 -1.994 1.00 0.80 H new ATOM 0 HG3 GLU A 17 131.655 -3.395 -0.577 1.00 0.80 H new ATOM 284 N LEU A 18 134.084 -1.599 0.082 1.00 0.32 N ATOM 285 CA LEU A 18 135.021 -2.036 1.117 1.00 0.34 C ATOM 286 C LEU A 18 135.729 -0.829 1.723 1.00 0.33 C ATOM 287 O LEU A 18 135.926 -0.754 2.936 1.00 0.66 O ATOM 288 CB LEU A 18 136.055 -3.008 0.541 1.00 0.53 C ATOM 289 CG LEU A 18 135.757 -4.491 0.772 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.695 -5.357 -0.054 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.872 -4.834 2.252 1.00 0.79 C ATOM 0 H LEU A 18 134.287 -1.959 -0.851 1.00 0.32 H new ATOM 0 HA LEU A 18 134.456 -2.552 1.894 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.136 -2.833 -0.532 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.028 -2.778 0.976 1.00 0.53 H new ATOM 0 HG LEU A 18 134.734 -4.692 0.452 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.469 -6.409 0.122 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.563 -5.130 -1.112 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.726 -5.154 0.235 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.657 -5.893 2.398 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.883 -4.618 2.598 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.159 -4.237 2.820 1.00 0.79 H new ATOM 303 N LEU A 19 136.091 0.121 0.858 1.00 0.43 N ATOM 304 CA LEU A 19 136.761 1.344 1.285 1.00 0.44 C ATOM 305 C LEU A 19 135.785 2.276 2.003 1.00 0.30 C ATOM 306 O LEU A 19 136.175 3.002 2.920 1.00 0.45 O ATOM 307 CB LEU A 19 137.374 2.065 0.080 1.00 0.57 C ATOM 308 CG LEU A 19 138.564 1.353 -0.568 1.00 0.76 C ATOM 309 CD1 LEU A 19 138.792 1.869 -1.981 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.817 1.533 0.278 1.00 0.94 C ATOM 0 H LEU A 19 135.929 0.063 -0.147 1.00 0.43 H new ATOM 0 HA LEU A 19 137.555 1.069 1.979 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.599 2.203 -0.674 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.693 3.059 0.395 1.00 0.57 H new ATOM 0 HG LEU A 19 138.338 0.288 -0.626 1.00 0.76 H new ATOM 0 HD11 LEU A 19 139.642 1.351 -2.425 1.00 0.88 H new ATOM 0 HD12 LEU A 19 137.902 1.687 -2.583 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.996 2.939 -1.949 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.654 1.021 -0.197 1.00 0.94 H new ATOM 0 HD22 LEU A 19 140.046 2.595 0.368 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.650 1.113 1.270 1.00 0.94 H new ATOM 322 N ARG A 20 134.514 2.254 1.581 1.00 0.32 N ATOM 323 CA ARG A 20 133.493 3.104 2.188 1.00 0.50 C ATOM 324 C ARG A 20 133.265 2.731 3.650 1.00 0.40 C ATOM 325 O ARG A 20 133.474 3.559 4.538 1.00 0.47 O ATOM 326 CB ARG A 20 132.178 3.004 1.409 1.00 0.78 C ATOM 327 CG ARG A 20 132.148 3.858 0.151 1.00 0.89 C ATOM 328 CD ARG A 20 130.839 4.621 0.024 1.00 0.98 C ATOM 329 NE ARG A 20 131.035 5.967 -0.519 1.00 1.06 N ATOM 330 CZ ARG A 20 130.067 6.694 -1.083 1.00 1.17 C ATOM 331 NH1 ARG A 20 128.829 6.214 -1.179 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.338 7.908 -1.552 1.00 1.60 N ATOM 0 H ARG A 20 134.174 1.659 0.826 1.00 0.32 H new ATOM 0 HA ARG A 20 133.850 4.133 2.149 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.006 1.963 1.135 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.356 3.302 2.060 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.980 4.562 0.168 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.286 3.223 -0.724 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.158 4.066 -0.621 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.365 4.691 1.003 1.00 0.98 H new ATOM 0 HE ARG A 20 131.968 6.374 -0.463 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.613 5.284 -0.820 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.096 6.776 -1.611 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.284 8.283 -1.481 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.600 8.465 -1.983 1.00 1.60 H new ATOM 346 N ARG A 21 132.830 1.489 3.906 1.00 0.36 N ATOM 347 CA ARG A 21 132.572 1.026 5.270 1.00 0.37 C ATOM 348 C ARG A 21 133.807 1.167 6.156 1.00 0.35 C ATOM 349 O ARG A 21 133.691 1.537 7.322 1.00 0.49 O ATOM 350 CB ARG A 21 132.110 -0.436 5.245 1.00 0.47 C ATOM 351 CG ARG A 21 131.812 -1.017 6.620 1.00 0.71 C ATOM 352 CD ARG A 21 132.021 -2.523 6.640 1.00 0.94 C ATOM 353 NE ARG A 21 131.657 -3.115 7.928 1.00 0.95 N ATOM 354 CZ ARG A 21 131.355 -4.405 8.100 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.367 -5.246 7.068 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.041 -4.858 9.310 1.00 1.50 N ATOM 0 H ARG A 21 132.651 0.790 3.185 1.00 0.36 H new ATOM 0 HA ARG A 21 131.786 1.652 5.693 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.215 -0.512 4.628 1.00 0.47 H new ATOM 0 HB3 ARG A 21 132.880 -1.041 4.766 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.457 -0.548 7.363 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.784 -0.787 6.900 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.426 -2.981 5.850 1.00 0.94 H new ATOM 0 HD3 ARG A 21 133.065 -2.746 6.422 1.00 0.94 H new ATOM 0 HE ARG A 21 131.632 -2.505 8.745 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.608 -4.907 6.137 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.135 -6.229 7.209 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.031 -4.221 10.106 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.810 -5.843 9.442 1.00 1.50 H new ATOM 370 N LYS A 22 134.986 0.871 5.602 1.00 0.33 N ATOM 371 CA LYS A 22 136.234 0.974 6.358 1.00 0.41 C ATOM 372 C LYS A 22 136.349 2.343 7.028 1.00 0.34 C ATOM 373 O LYS A 22 136.637 2.435 8.223 1.00 0.36 O ATOM 374 CB LYS A 22 137.440 0.738 5.444 1.00 0.56 C ATOM 375 CG LYS A 22 138.499 -0.163 6.059 1.00 0.77 C ATOM 376 CD LYS A 22 139.602 -0.490 5.064 1.00 0.95 C ATOM 377 CE LYS A 22 140.824 0.394 5.271 1.00 0.76 C ATOM 378 NZ LYS A 22 141.810 -0.226 6.200 1.00 0.71 N ATOM 0 H LYS A 22 135.101 0.560 4.637 1.00 0.33 H new ATOM 0 HA LYS A 22 136.223 0.206 7.131 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.096 0.296 4.509 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.891 1.699 5.195 1.00 0.56 H new ATOM 0 HG2 LYS A 22 138.930 0.325 6.933 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.035 -1.087 6.406 1.00 0.77 H new ATOM 0 HD2 LYS A 22 139.888 -1.537 5.168 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.227 -0.361 4.049 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.301 0.584 4.310 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.510 1.360 5.667 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.626 0.408 6.313 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.363 -0.384 7.126 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.130 -1.136 5.810 1.00 0.71 H new ATOM 392 N ASP A 23 136.123 3.401 6.247 1.00 0.34 N ATOM 393 CA ASP A 23 136.199 4.771 6.751 1.00 0.32 C ATOM 394 C ASP A 23 135.044 5.101 7.704 1.00 0.29 C ATOM 395 O ASP A 23 135.141 6.043 8.494 1.00 0.34 O ATOM 396 CB ASP A 23 136.205 5.758 5.580 1.00 0.37 C ATOM 397 CG ASP A 23 137.587 5.935 4.981 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.941 5.161 4.067 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.316 6.846 5.427 1.00 1.15 O ATOM 0 H ASP A 23 135.885 3.333 5.258 1.00 0.34 H new ATOM 0 HA ASP A 23 137.127 4.861 7.316 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.520 5.407 4.809 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.833 6.724 5.921 1.00 0.37 H new ATOM 404 N THR A 24 133.958 4.323 7.642 1.00 0.27 N ATOM 405 CA THR A 24 132.799 4.535 8.512 1.00 0.28 C ATOM 406 C THR A 24 132.926 3.731 9.812 1.00 0.27 C ATOM 407 O THR A 24 132.395 4.133 10.848 1.00 0.32 O ATOM 408 CB THR A 24 131.511 4.150 7.776 1.00 0.31 C ATOM 409 OG1 THR A 24 131.421 4.831 6.537 1.00 0.52 O ATOM 410 CG2 THR A 24 130.251 4.460 8.559 1.00 0.53 C ATOM 0 H THR A 24 133.859 3.539 6.997 1.00 0.27 H new ATOM 0 HA THR A 24 132.760 5.593 8.773 1.00 0.28 H new ATOM 0 HB THR A 24 131.574 3.071 7.635 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.049 4.433 5.898 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.379 4.161 7.978 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.264 3.912 9.501 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.203 5.530 8.762 1.00 0.53 H new ATOM 418 N HIS A 25 133.643 2.603 9.750 1.00 0.27 N ATOM 419 CA HIS A 25 133.852 1.752 10.923 1.00 0.31 C ATOM 420 C HIS A 25 134.832 2.412 11.889 1.00 0.33 C ATOM 421 O HIS A 25 134.689 2.298 13.107 1.00 0.43 O ATOM 422 CB HIS A 25 134.365 0.368 10.512 1.00 0.37 C ATOM 423 CG HIS A 25 133.749 -0.752 11.293 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.322 -1.281 12.431 1.00 0.92 N ATOM 425 CD2 HIS A 25 132.602 -1.444 11.096 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.554 -2.250 12.898 1.00 0.79 C ATOM 427 NE2 HIS A 25 132.505 -2.368 12.107 1.00 0.75 N ATOM 0 H HIS A 25 134.088 2.260 8.899 1.00 0.27 H new ATOM 0 HA HIS A 25 132.893 1.625 11.425 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.164 0.215 9.452 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.447 0.337 10.639 1.00 0.37 H new ATOM 0 HD2 HIS A 25 131.895 -1.297 10.293 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.752 -2.844 13.778 1.00 0.79 H new ATOM 0 HE2 HIS A 25 131.745 -3.037 12.227 1.00 0.75 H new ATOM 436 N ILE A 26 135.810 3.131 11.335 1.00 0.31 N ATOM 437 CA ILE A 26 136.790 3.845 12.148 1.00 0.35 C ATOM 438 C ILE A 26 136.176 5.134 12.708 1.00 0.34 C ATOM 439 O ILE A 26 136.698 5.716 13.660 1.00 0.46 O ATOM 440 CB ILE A 26 138.068 4.187 11.346 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.723 4.982 10.082 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.824 2.914 10.987 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.382 6.343 10.021 1.00 0.68 C ATOM 0 H ILE A 26 135.942 3.233 10.329 1.00 0.31 H new ATOM 0 HA ILE A 26 137.073 3.184 12.967 1.00 0.35 H new ATOM 0 HB ILE A 26 138.709 4.808 11.972 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.021 4.404 9.207 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.642 5.109 10.027 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.721 3.170 10.423 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.107 2.389 11.900 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.186 2.270 10.381 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.092 6.847 9.099 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.064 6.940 10.876 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.465 6.224 10.044 1.00 0.68 H new ATOM 455 N ARG A 27 135.051 5.561 12.115 1.00 0.29 N ATOM 456 CA ARG A 27 134.345 6.761 12.551 1.00 0.35 C ATOM 457 C ARG A 27 133.344 6.419 13.657 1.00 0.34 C ATOM 458 O ARG A 27 133.217 7.157 14.635 1.00 0.39 O ATOM 459 CB ARG A 27 133.622 7.412 11.369 1.00 0.44 C ATOM 460 CG ARG A 27 133.127 8.822 11.656 1.00 0.52 C ATOM 461 CD ARG A 27 131.610 8.911 11.567 1.00 0.81 C ATOM 462 NE ARG A 27 131.155 9.232 10.213 1.00 0.91 N ATOM 463 CZ ARG A 27 129.899 9.567 9.906 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.964 9.626 10.851 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.577 9.845 8.647 1.00 1.68 N ATOM 0 H ARG A 27 134.613 5.084 11.327 1.00 0.29 H new ATOM 0 HA ARG A 27 135.075 7.467 12.947 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.296 7.440 10.513 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.773 6.789 11.086 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.452 9.127 12.650 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.575 9.517 10.946 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.173 7.963 11.881 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.251 9.672 12.260 1.00 0.81 H new ATOM 0 HE ARG A 27 131.839 9.198 9.457 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.204 9.414 11.820 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.008 9.883 10.607 1.00 1.19 H new ATOM 0 HH21 ARG A 27 130.288 9.802 7.917 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.618 10.101 8.410 1.00 1.68 H new ATOM 479 N GLU A 28 132.645 5.288 13.504 1.00 0.33 N ATOM 480 CA GLU A 28 131.674 4.851 14.508 1.00 0.38 C ATOM 481 C GLU A 28 132.389 4.499 15.812 1.00 0.37 C ATOM 482 O GLU A 28 131.941 4.878 16.895 1.00 0.47 O ATOM 483 CB GLU A 28 130.841 3.657 14.009 1.00 0.48 C ATOM 484 CG GLU A 28 131.652 2.561 13.331 1.00 0.81 C ATOM 485 CD GLU A 28 131.623 1.249 14.093 1.00 1.22 C ATOM 486 OE1 GLU A 28 132.239 1.177 15.177 1.00 1.85 O ATOM 487 OE2 GLU A 28 130.987 0.292 13.603 1.00 1.66 O ATOM 0 H GLU A 28 132.734 4.665 12.701 1.00 0.33 H new ATOM 0 HA GLU A 28 130.986 5.676 14.691 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.306 3.225 14.854 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.090 4.022 13.309 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.266 2.400 12.325 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.685 2.892 13.227 1.00 0.81 H new ATOM 494 N LEU A 29 133.516 3.786 15.697 1.00 0.34 N ATOM 495 CA LEU A 29 134.309 3.402 16.865 1.00 0.38 C ATOM 496 C LEU A 29 134.976 4.625 17.507 1.00 0.42 C ATOM 497 O LEU A 29 135.438 4.558 18.647 1.00 0.80 O ATOM 498 CB LEU A 29 135.371 2.369 16.475 1.00 0.48 C ATOM 499 CG LEU A 29 135.381 1.097 17.328 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.041 -0.122 16.481 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.733 0.919 18.004 1.00 0.58 C ATOM 0 H LEU A 29 133.897 3.465 14.807 1.00 0.34 H new ATOM 0 HA LEU A 29 133.634 2.958 17.596 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.218 2.088 15.433 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.353 2.838 16.538 1.00 0.48 H new ATOM 0 HG LEU A 29 134.620 1.197 18.102 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.054 -1.015 17.106 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.049 0.002 16.046 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.776 -0.227 15.683 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.722 0.010 18.606 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.512 0.842 17.245 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.935 1.777 18.646 1.00 0.58 H new ATOM 513 N GLU A 30 134.997 5.749 16.779 1.00 0.42 N ATOM 514 CA GLU A 30 135.577 6.989 17.293 1.00 0.46 C ATOM 515 C GLU A 30 134.661 7.594 18.357 1.00 0.46 C ATOM 516 O GLU A 30 135.131 8.224 19.306 1.00 0.61 O ATOM 517 CB GLU A 30 135.812 7.992 16.159 1.00 0.51 C ATOM 518 CG GLU A 30 137.254 8.036 15.676 1.00 0.57 C ATOM 519 CD GLU A 30 138.173 8.756 16.645 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.664 8.106 17.593 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.403 9.969 16.456 1.00 1.24 O ATOM 0 H GLU A 30 134.619 5.822 15.834 1.00 0.42 H new ATOM 0 HA GLU A 30 136.541 6.757 17.746 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.164 7.738 15.320 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.520 8.986 16.498 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.615 7.018 15.527 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.293 8.533 14.707 1.00 0.57 H new ATOM 528 N ASP A 31 133.351 7.366 18.206 1.00 0.43 N ATOM 529 CA ASP A 31 132.366 7.851 19.167 1.00 0.58 C ATOM 530 C ASP A 31 132.239 6.863 20.329 1.00 0.59 C ATOM 531 O ASP A 31 131.936 7.253 21.459 1.00 0.78 O ATOM 532 CB ASP A 31 131.006 8.046 18.491 1.00 0.71 C ATOM 533 CG ASP A 31 130.170 9.113 19.171 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.430 8.774 20.118 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.257 10.289 18.758 1.00 1.73 O ATOM 0 H ASP A 31 132.952 6.847 17.424 1.00 0.43 H new ATOM 0 HA ASP A 31 132.701 8.814 19.553 1.00 0.58 H new ATOM 0 HB2 ASP A 31 131.158 8.318 17.447 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.461 7.102 18.498 1.00 0.71 H new ATOM 540 N TYR A 32 132.499 5.581 20.038 1.00 0.51 N ATOM 541 CA TYR A 32 132.445 4.529 21.052 1.00 0.56 C ATOM 542 C TYR A 32 133.521 4.768 22.108 1.00 0.55 C ATOM 543 O TYR A 32 133.279 4.599 23.304 1.00 0.64 O ATOM 544 CB TYR A 32 132.632 3.147 20.411 1.00 0.61 C ATOM 545 CG TYR A 32 131.392 2.616 19.719 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.123 2.858 20.233 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.493 1.871 18.550 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.993 2.373 19.603 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.367 1.383 17.915 1.00 1.19 C ATOM 550 CZ TYR A 32 129.120 1.637 18.444 1.00 1.23 C ATOM 551 OH TYR A 32 127.997 1.151 17.815 1.00 1.55 O ATOM 0 H TYR A 32 132.749 5.251 19.106 1.00 0.51 H new ATOM 0 HA TYR A 32 131.465 4.557 21.528 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.445 3.201 19.687 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.937 2.439 21.181 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.019 3.435 21.140 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.468 1.670 18.131 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.015 2.569 20.016 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.464 0.805 17.008 1.00 1.19 H new ATOM 0 HH TYR A 32 128.261 0.655 17.012 1.00 1.55 H new ATOM 561 N ILE A 33 134.704 5.188 21.653 1.00 0.53 N ATOM 562 CA ILE A 33 135.817 5.483 22.549 1.00 0.62 C ATOM 563 C ILE A 33 135.579 6.812 23.265 1.00 0.58 C ATOM 564 O ILE A 33 135.860 6.938 24.458 1.00 0.77 O ATOM 565 CB ILE A 33 137.161 5.546 21.787 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.442 4.215 21.082 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.300 5.898 22.737 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.268 4.359 19.821 1.00 0.85 C ATOM 0 H ILE A 33 134.913 5.331 20.665 1.00 0.53 H new ATOM 0 HA ILE A 33 135.873 4.674 23.278 1.00 0.62 H new ATOM 0 HB ILE A 33 137.090 6.328 21.031 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.961 3.550 21.772 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.494 3.738 20.833 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.237 5.938 22.182 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.107 6.869 23.193 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.371 5.139 23.516 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.427 3.377 19.376 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.741 4.998 19.112 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.231 4.807 20.066 1.00 0.85 H new ATOM 580 N ASP A 34 135.072 7.802 22.515 1.00 0.49 N ATOM 581 CA ASP A 34 134.793 9.142 23.045 1.00 0.54 C ATOM 582 C ASP A 34 134.183 9.107 24.447 1.00 0.44 C ATOM 583 O ASP A 34 134.467 9.979 25.256 1.00 0.47 O ATOM 584 CB ASP A 34 133.858 9.901 22.098 1.00 0.75 C ATOM 585 CG ASP A 34 134.519 11.118 21.482 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.768 12.097 22.218 1.00 1.49 O ATOM 587 OD2 ASP A 34 134.788 11.094 20.262 1.00 1.42 O ATOM 0 H ASP A 34 134.845 7.695 21.526 1.00 0.49 H new ATOM 0 HA ASP A 34 135.751 9.657 23.118 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.527 9.231 21.305 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.968 10.212 22.644 1.00 0.75 H new ATOM 592 N ASN A 35 133.347 8.103 24.729 1.00 0.53 N ATOM 593 CA ASN A 35 132.703 7.964 26.042 1.00 0.57 C ATOM 594 C ASN A 35 133.669 8.305 27.179 1.00 0.47 C ATOM 595 O ASN A 35 133.289 8.968 28.146 1.00 0.58 O ATOM 596 CB ASN A 35 132.164 6.542 26.221 1.00 0.74 C ATOM 597 CG ASN A 35 130.791 6.361 25.600 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.770 6.559 26.258 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.758 5.985 24.324 1.00 1.32 N ATOM 0 H ASN A 35 133.099 7.371 24.064 1.00 0.53 H new ATOM 0 HA ASN A 35 131.874 8.670 26.081 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.859 5.833 25.771 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.113 6.307 27.284 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.862 5.850 23.855 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.628 5.832 23.815 1.00 1.32 H new ATOM 606 N LEU A 36 134.924 7.866 27.045 1.00 0.42 N ATOM 607 CA LEU A 36 135.951 8.143 28.049 1.00 0.47 C ATOM 608 C LEU A 36 136.246 9.643 28.106 1.00 0.42 C ATOM 609 O LEU A 36 136.288 10.235 29.186 1.00 0.53 O ATOM 610 CB LEU A 36 137.236 7.370 27.734 1.00 0.66 C ATOM 611 CG LEU A 36 137.058 5.864 27.516 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.240 5.290 26.749 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.885 5.149 28.849 1.00 1.66 C ATOM 0 H LEU A 36 135.252 7.317 26.250 1.00 0.42 H new ATOM 0 HA LEU A 36 135.577 7.817 29.020 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.688 7.799 26.840 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.941 7.521 28.552 1.00 0.66 H new ATOM 0 HG LEU A 36 136.157 5.707 26.922 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.095 4.219 26.604 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.317 5.780 25.778 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.157 5.459 27.314 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.760 4.080 28.675 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.767 5.315 29.468 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.004 5.539 29.360 1.00 1.66 H new ATOM 625 N LEU A 37 136.436 10.250 26.930 1.00 0.36 N ATOM 626 CA LEU A 37 136.711 11.682 26.829 1.00 0.40 C ATOM 627 C LEU A 37 135.594 12.399 26.057 1.00 0.32 C ATOM 628 O LEU A 37 135.836 13.024 25.021 1.00 0.42 O ATOM 629 CB LEU A 37 138.068 11.912 26.150 1.00 0.56 C ATOM 630 CG LEU A 37 138.225 11.269 24.766 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.986 12.195 23.827 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.927 9.922 24.878 1.00 0.63 C ATOM 0 H LEU A 37 136.404 9.767 26.032 1.00 0.36 H new ATOM 0 HA LEU A 37 136.747 12.099 27.835 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.231 12.986 26.054 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.852 11.528 26.802 1.00 0.56 H new ATOM 0 HG LEU A 37 137.231 11.104 24.350 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.087 11.721 22.851 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.441 13.133 23.720 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.976 12.395 24.237 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.029 9.481 23.886 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.915 10.062 25.316 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.340 9.257 25.512 1.00 0.63 H new ATOM 644 N VAL A 38 134.368 12.293 26.580 1.00 0.29 N ATOM 645 CA VAL A 38 133.186 12.916 25.974 1.00 0.41 C ATOM 646 C VAL A 38 132.097 13.135 27.033 1.00 0.38 C ATOM 647 O VAL A 38 132.294 12.806 28.206 1.00 0.61 O ATOM 648 CB VAL A 38 132.628 12.073 24.797 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.638 11.021 25.285 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.989 12.970 23.745 1.00 0.99 C ATOM 0 H VAL A 38 134.167 11.774 27.434 1.00 0.29 H new ATOM 0 HA VAL A 38 133.494 13.881 25.571 1.00 0.41 H new ATOM 0 HB VAL A 38 133.467 11.550 24.338 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.267 10.449 24.435 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.136 10.350 25.985 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.803 11.512 25.785 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.605 12.357 22.929 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.170 13.531 24.194 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.735 13.664 23.357 1.00 0.99 H new ATOM 660 N ARG A 39 130.944 13.668 26.621 1.00 0.44 N ATOM 661 CA ARG A 39 129.834 13.897 27.543 1.00 0.47 C ATOM 662 C ARG A 39 129.076 12.591 27.788 1.00 0.53 C ATOM 663 O ARG A 39 128.406 12.075 26.891 1.00 0.86 O ATOM 664 CB ARG A 39 128.890 14.972 26.982 1.00 0.59 C ATOM 665 CG ARG A 39 127.514 14.998 27.637 1.00 0.75 C ATOM 666 CD ARG A 39 127.532 15.754 28.957 1.00 0.97 C ATOM 667 NE ARG A 39 126.248 16.399 29.234 1.00 0.93 N ATOM 668 CZ ARG A 39 125.867 17.568 28.710 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.669 18.234 27.882 1.00 1.27 N ATOM 670 NH2 ARG A 39 124.676 18.073 29.016 1.00 1.48 N ATOM 0 H ARG A 39 130.757 13.947 25.658 1.00 0.44 H new ATOM 0 HA ARG A 39 130.232 14.251 28.494 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.357 15.949 27.104 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.767 14.809 25.911 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.798 15.465 26.960 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.173 13.977 27.807 1.00 0.75 H new ATOM 0 HD2 ARG A 39 127.774 15.065 29.766 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.319 16.508 28.933 1.00 0.97 H new ATOM 0 HE ARG A 39 125.603 15.926 29.867 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.584 17.853 27.642 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.368 19.125 27.488 1.00 1.27 H new ATOM 0 HH21 ARG A 39 124.056 17.569 29.649 1.00 1.48 H new ATOM 0 HH22 ARG A 39 124.383 18.965 28.618 1.00 1.48 H new ATOM 684 N VAL A 40 129.194 12.059 29.005 1.00 0.46 N ATOM 685 CA VAL A 40 128.525 10.809 29.365 1.00 0.53 C ATOM 686 C VAL A 40 127.113 11.063 29.894 1.00 0.53 C ATOM 687 O VAL A 40 126.815 12.145 30.405 1.00 0.66 O ATOM 688 CB VAL A 40 129.327 10.011 30.419 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.631 9.498 29.823 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.594 10.856 31.658 1.00 0.78 C ATOM 0 H VAL A 40 129.745 12.473 29.756 1.00 0.46 H new ATOM 0 HA VAL A 40 128.463 10.219 28.451 1.00 0.53 H new ATOM 0 HB VAL A 40 128.727 9.153 30.723 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.182 8.939 30.579 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.413 8.846 28.977 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.233 10.341 29.485 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.159 10.270 32.383 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.168 11.740 31.379 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.646 11.163 32.100 1.00 0.78 H new ATOM 700 N MET A 41 126.250 10.054 29.767 1.00 0.53 N ATOM 701 CA MET A 41 124.867 10.156 30.229 1.00 0.60 C ATOM 702 C MET A 41 124.540 9.040 31.218 1.00 0.86 C ATOM 703 O MET A 41 123.772 9.235 32.159 1.00 1.20 O ATOM 704 CB MET A 41 123.900 10.105 29.041 1.00 0.75 C ATOM 705 CG MET A 41 124.068 8.875 28.161 1.00 0.56 C ATOM 706 SD MET A 41 122.606 8.529 27.163 1.00 0.67 S ATOM 707 CE MET A 41 122.795 9.735 25.852 1.00 0.54 C ATOM 0 H MET A 41 126.486 9.155 29.347 1.00 0.53 H new ATOM 0 HA MET A 41 124.751 11.113 30.738 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.877 10.134 29.416 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.041 10.998 28.432 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.926 9.018 27.504 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.287 8.011 28.789 1.00 0.56 H new ATOM 0 HE1 MET A 41 121.964 9.645 25.152 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.803 10.738 26.279 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.733 9.557 25.326 1.00 0.54 H new ATOM 718 N GLY B 1 134.427 4.824 -27.253 1.00 0.61 N ATOM 719 CA GLY B 1 135.882 4.799 -27.578 1.00 0.61 C ATOM 720 C GLY B 1 136.624 3.688 -26.859 1.00 0.52 C ATOM 721 O GLY B 1 136.993 2.684 -27.471 1.00 0.60 O ATOM 0 H1 GLY B 1 133.969 5.601 -27.770 1.00 0.61 H new ATOM 0 H2 GLY B 1 133.994 3.920 -27.531 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.302 4.968 -26.231 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.008 4.677 -28.654 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.326 5.758 -27.312 1.00 0.61 H new ATOM 727 N SER B 2 136.843 3.870 -25.556 1.00 0.50 N ATOM 728 CA SER B 2 137.548 2.876 -24.746 1.00 0.49 C ATOM 729 C SER B 2 136.665 2.311 -23.634 1.00 0.47 C ATOM 730 O SER B 2 137.143 1.537 -22.810 1.00 0.63 O ATOM 731 CB SER B 2 138.821 3.485 -24.150 1.00 0.55 C ATOM 732 OG SER B 2 139.844 3.584 -25.126 1.00 0.67 O ATOM 0 H SER B 2 136.542 4.696 -25.039 1.00 0.50 H new ATOM 0 HA SER B 2 137.815 2.049 -25.404 1.00 0.49 H new ATOM 0 HB2 SER B 2 138.601 4.474 -23.748 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.166 2.872 -23.318 1.00 0.55 H new ATOM 0 HG SER B 2 140.645 3.977 -24.721 1.00 0.67 H new ATOM 738 N LEU B 3 135.373 2.662 -23.628 1.00 0.48 N ATOM 739 CA LEU B 3 134.450 2.133 -22.626 1.00 0.55 C ATOM 740 C LEU B 3 134.142 0.681 -22.980 1.00 0.65 C ATOM 741 O LEU B 3 133.063 0.358 -23.483 1.00 1.02 O ATOM 742 CB LEU B 3 133.167 2.971 -22.571 1.00 0.62 C ATOM 743 CG LEU B 3 133.307 4.330 -21.878 1.00 0.61 C ATOM 744 CD1 LEU B 3 134.082 5.306 -22.754 1.00 0.61 C ATOM 745 CD2 LEU B 3 131.937 4.896 -21.531 1.00 0.76 C ATOM 0 H LEU B 3 134.950 3.303 -24.299 1.00 0.48 H new ATOM 0 HA LEU B 3 134.906 2.181 -21.637 1.00 0.55 H new ATOM 0 HB2 LEU B 3 132.815 3.135 -23.589 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.398 2.396 -22.056 1.00 0.62 H new ATOM 0 HG LEU B 3 133.865 4.185 -20.953 1.00 0.61 H new ATOM 0 HD11 LEU B 3 134.169 6.264 -22.242 1.00 0.61 H new ATOM 0 HD12 LEU B 3 135.077 4.907 -22.950 1.00 0.61 H new ATOM 0 HD13 LEU B 3 133.555 5.446 -23.698 1.00 0.61 H new ATOM 0 HD21 LEU B 3 132.056 5.862 -21.039 1.00 0.76 H new ATOM 0 HD22 LEU B 3 131.354 5.023 -22.443 1.00 0.76 H new ATOM 0 HD23 LEU B 3 131.419 4.210 -20.862 1.00 0.76 H new ATOM 757 N THR B 4 135.141 -0.172 -22.770 1.00 0.46 N ATOM 758 CA THR B 4 135.052 -1.582 -23.117 1.00 0.55 C ATOM 759 C THR B 4 135.529 -2.490 -21.974 1.00 0.42 C ATOM 760 O THR B 4 135.561 -2.087 -20.809 1.00 0.43 O ATOM 761 CB THR B 4 135.860 -1.843 -24.403 1.00 0.72 C ATOM 762 OG1 THR B 4 136.616 -0.702 -24.778 1.00 0.70 O ATOM 763 CG2 THR B 4 134.990 -2.216 -25.583 1.00 0.90 C ATOM 0 H THR B 4 136.033 0.097 -22.355 1.00 0.46 H new ATOM 0 HA THR B 4 134.004 -1.826 -23.290 1.00 0.55 H new ATOM 0 HB THR B 4 136.514 -2.681 -24.161 1.00 0.72 H new ATOM 0 HG1 THR B 4 137.119 -0.897 -25.596 1.00 0.70 H new ATOM 0 HG21 THR B 4 135.617 -2.387 -26.458 1.00 0.90 H new ATOM 0 HG22 THR B 4 134.434 -3.124 -25.352 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.291 -1.406 -25.790 1.00 0.90 H new ATOM 771 N TYR B 5 135.911 -3.715 -22.339 1.00 0.50 N ATOM 772 CA TYR B 5 136.406 -4.702 -21.378 1.00 0.45 C ATOM 773 C TYR B 5 137.881 -4.454 -21.047 1.00 0.41 C ATOM 774 O TYR B 5 138.310 -4.659 -19.911 1.00 0.46 O ATOM 775 CB TYR B 5 136.218 -6.124 -21.919 1.00 0.57 C ATOM 776 CG TYR B 5 136.327 -7.210 -20.863 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.283 -6.906 -19.505 1.00 0.69 C ATOM 778 CD2 TYR B 5 136.476 -8.543 -21.228 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.386 -7.896 -18.547 1.00 0.69 C ATOM 780 CE2 TYR B 5 136.578 -9.539 -20.275 1.00 0.92 C ATOM 781 CZ TYR B 5 136.533 -9.210 -18.937 1.00 0.67 C ATOM 782 OH TYR B 5 136.639 -10.200 -17.986 1.00 0.84 O ATOM 0 H TYR B 5 135.886 -4.049 -23.302 1.00 0.50 H new ATOM 0 HA TYR B 5 135.826 -4.596 -20.461 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.240 -6.193 -22.396 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.964 -6.308 -22.692 1.00 0.57 H new ATOM 0 HD1 TYR B 5 136.166 -5.878 -19.195 1.00 0.69 H new ATOM 0 HD2 TYR B 5 136.513 -8.805 -22.275 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.352 -7.642 -17.498 1.00 0.69 H new ATOM 0 HE2 TYR B 5 136.692 -10.570 -20.577 1.00 0.92 H new ATOM 0 HH TYR B 5 135.790 -10.283 -17.504 1.00 0.84 H new ATOM 792 N GLU B 6 138.650 -4.004 -22.042 1.00 0.49 N ATOM 793 CA GLU B 6 140.072 -3.718 -21.850 1.00 0.50 C ATOM 794 C GLU B 6 140.286 -2.454 -21.006 1.00 0.38 C ATOM 795 O GLU B 6 141.405 -2.179 -20.569 1.00 0.44 O ATOM 796 CB GLU B 6 140.768 -3.556 -23.205 1.00 0.62 C ATOM 797 CG GLU B 6 141.039 -4.874 -23.913 1.00 0.68 C ATOM 798 CD GLU B 6 141.505 -4.683 -25.343 1.00 0.83 C ATOM 799 OE1 GLU B 6 140.645 -4.635 -26.247 1.00 1.14 O ATOM 800 OE2 GLU B 6 142.732 -4.580 -25.559 1.00 1.01 O ATOM 0 H GLU B 6 138.311 -3.830 -22.988 1.00 0.49 H new ATOM 0 HA GLU B 6 140.507 -4.562 -21.314 1.00 0.50 H new ATOM 0 HB2 GLU B 6 140.151 -2.928 -23.848 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.712 -3.031 -23.058 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.795 -5.431 -23.360 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.132 -5.478 -23.908 1.00 0.68 H new ATOM 807 N GLU B 7 139.209 -1.696 -20.770 1.00 0.32 N ATOM 808 CA GLU B 7 139.284 -0.474 -19.973 1.00 0.29 C ATOM 809 C GLU B 7 138.969 -0.750 -18.505 1.00 0.27 C ATOM 810 O GLU B 7 139.559 -0.133 -17.616 1.00 0.43 O ATOM 811 CB GLU B 7 138.325 0.582 -20.529 1.00 0.43 C ATOM 812 CG GLU B 7 138.109 1.778 -19.609 1.00 0.57 C ATOM 813 CD GLU B 7 136.837 1.663 -18.788 1.00 0.72 C ATOM 814 OE1 GLU B 7 135.739 1.787 -19.371 1.00 1.00 O ATOM 815 OE2 GLU B 7 136.939 1.450 -17.560 1.00 0.80 O ATOM 0 H GLU B 7 138.276 -1.911 -21.122 1.00 0.32 H new ATOM 0 HA GLU B 7 140.305 -0.096 -20.034 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.709 0.938 -21.485 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.362 0.113 -20.728 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.962 1.874 -18.938 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.070 2.689 -20.207 1.00 0.57 H new ATOM 822 N VAL B 8 138.047 -1.683 -18.247 1.00 0.35 N ATOM 823 CA VAL B 8 137.677 -2.031 -16.879 1.00 0.37 C ATOM 824 C VAL B 8 138.823 -2.768 -16.181 1.00 0.28 C ATOM 825 O VAL B 8 139.059 -2.571 -14.988 1.00 0.40 O ATOM 826 CB VAL B 8 136.387 -2.888 -16.848 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.690 -4.361 -17.090 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.645 -2.697 -15.534 1.00 0.78 C ATOM 0 H VAL B 8 137.548 -2.206 -18.966 1.00 0.35 H new ATOM 0 HA VAL B 8 137.480 -1.104 -16.341 1.00 0.37 H new ATOM 0 HB VAL B 8 135.743 -2.547 -17.659 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.762 -4.933 -17.061 1.00 0.44 H new ATOM 0 HG12 VAL B 8 137.160 -4.480 -18.066 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.365 -4.726 -16.316 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.742 -3.308 -15.534 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.287 -2.998 -14.706 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.373 -1.648 -15.419 1.00 0.78 H new ATOM 838 N LEU B 9 139.533 -3.615 -16.937 1.00 0.35 N ATOM 839 CA LEU B 9 140.660 -4.375 -16.398 1.00 0.49 C ATOM 840 C LEU B 9 141.674 -3.442 -15.740 1.00 0.52 C ATOM 841 O LEU B 9 142.061 -3.650 -14.589 1.00 0.74 O ATOM 842 CB LEU B 9 141.334 -5.190 -17.507 1.00 0.65 C ATOM 843 CG LEU B 9 140.551 -6.419 -17.976 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.918 -6.774 -19.409 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.806 -7.600 -17.049 1.00 0.76 C ATOM 0 H LEU B 9 139.344 -3.789 -17.924 1.00 0.35 H new ATOM 0 HA LEU B 9 140.279 -5.060 -15.641 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.504 -4.538 -18.364 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.313 -5.515 -17.154 1.00 0.65 H new ATOM 0 HG LEU B 9 139.488 -6.181 -17.945 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.351 -7.650 -19.723 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.682 -5.935 -20.064 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.984 -6.992 -19.468 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.241 -8.465 -17.398 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.870 -7.838 -17.047 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.490 -7.344 -16.038 1.00 0.76 H new ATOM 857 N GLN B 10 142.093 -2.403 -16.473 1.00 0.41 N ATOM 858 CA GLN B 10 143.053 -1.428 -15.952 1.00 0.48 C ATOM 859 C GLN B 10 142.480 -0.669 -14.752 1.00 0.42 C ATOM 860 O GLN B 10 143.231 -0.136 -13.935 1.00 0.48 O ATOM 861 CB GLN B 10 143.453 -0.439 -17.051 1.00 0.58 C ATOM 862 CG GLN B 10 144.740 -0.815 -17.770 1.00 0.66 C ATOM 863 CD GLN B 10 145.981 -0.357 -17.027 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.409 -0.991 -16.062 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.568 0.750 -17.473 1.00 0.83 N ATOM 0 H GLN B 10 141.782 -2.218 -17.427 1.00 0.41 H new ATOM 0 HA GLN B 10 143.936 -1.974 -15.619 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.645 -0.373 -17.780 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.568 0.552 -16.612 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.777 -1.897 -17.898 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.736 -0.376 -18.767 1.00 0.66 H new ATOM 0 HE21 GLN B 10 146.180 1.245 -18.276 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.406 1.104 -17.012 1.00 0.83 H new ATOM 874 N GLU B 11 141.149 -0.628 -14.644 1.00 0.40 N ATOM 875 CA GLU B 11 140.491 0.055 -13.536 1.00 0.42 C ATOM 876 C GLU B 11 140.754 -0.684 -12.225 1.00 0.37 C ATOM 877 O GLU B 11 141.291 -0.106 -11.279 1.00 0.54 O ATOM 878 CB GLU B 11 138.983 0.163 -13.789 1.00 0.48 C ATOM 879 CG GLU B 11 138.461 1.590 -13.779 1.00 0.62 C ATOM 880 CD GLU B 11 136.965 1.660 -13.536 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.200 1.618 -14.523 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.558 1.755 -12.358 1.00 1.53 O ATOM 0 H GLU B 11 140.510 -1.060 -15.311 1.00 0.40 H new ATOM 0 HA GLU B 11 140.903 1.061 -13.460 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.752 -0.292 -14.752 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.454 -0.413 -13.029 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.978 2.157 -13.005 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.694 2.065 -14.732 1.00 0.62 H new ATOM 889 N LEU B 12 140.368 -1.965 -12.175 1.00 0.32 N ATOM 890 CA LEU B 12 140.554 -2.795 -10.983 1.00 0.30 C ATOM 891 C LEU B 12 141.995 -2.754 -10.471 1.00 0.28 C ATOM 892 O LEU B 12 142.218 -2.653 -9.264 1.00 0.36 O ATOM 893 CB LEU B 12 140.153 -4.246 -11.287 1.00 0.32 C ATOM 894 CG LEU B 12 139.718 -5.088 -10.079 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.908 -5.413 -9.189 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.631 -4.377 -9.284 1.00 0.54 C ATOM 0 H LEU B 12 139.922 -2.450 -12.954 1.00 0.32 H new ATOM 0 HA LEU B 12 139.914 -2.389 -10.200 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.337 -4.233 -12.009 1.00 0.32 H new ATOM 0 HB3 LEU B 12 140.996 -4.743 -11.767 1.00 0.32 H new ATOM 0 HG LEU B 12 139.307 -6.025 -10.454 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.575 -6.010 -8.340 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.647 -5.975 -9.760 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.356 -4.487 -8.828 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.340 -4.994 -8.434 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.010 -3.420 -8.925 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.764 -4.208 -9.923 1.00 0.54 H new ATOM 908 N VAL B 13 142.972 -2.843 -11.384 1.00 0.25 N ATOM 909 CA VAL B 13 144.378 -2.823 -10.987 1.00 0.26 C ATOM 910 C VAL B 13 144.682 -1.599 -10.116 1.00 0.22 C ATOM 911 O VAL B 13 145.168 -1.748 -8.995 1.00 0.26 O ATOM 912 CB VAL B 13 145.340 -2.911 -12.208 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.771 -1.541 -12.718 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.558 -3.755 -11.858 1.00 0.52 C ATOM 0 H VAL B 13 142.814 -2.928 -12.388 1.00 0.25 H new ATOM 0 HA VAL B 13 144.557 -3.716 -10.389 1.00 0.26 H new ATOM 0 HB VAL B 13 144.787 -3.388 -13.017 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.441 -1.664 -13.569 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.892 -0.975 -13.026 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.289 -1.003 -11.924 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.223 -3.809 -12.720 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.086 -3.301 -11.020 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.238 -4.760 -11.583 1.00 0.52 H new ATOM 924 N LYS B 14 144.406 -0.393 -10.631 1.00 0.24 N ATOM 925 CA LYS B 14 144.659 0.846 -9.891 1.00 0.25 C ATOM 926 C LYS B 14 144.090 0.795 -8.471 1.00 0.22 C ATOM 927 O LYS B 14 144.688 1.344 -7.546 1.00 0.29 O ATOM 928 CB LYS B 14 144.067 2.040 -10.645 1.00 0.34 C ATOM 929 CG LYS B 14 144.867 2.437 -11.876 1.00 0.87 C ATOM 930 CD LYS B 14 144.123 3.459 -12.721 1.00 0.75 C ATOM 931 CE LYS B 14 144.422 4.881 -12.272 1.00 0.70 C ATOM 932 NZ LYS B 14 144.505 5.824 -13.423 1.00 0.72 N ATOM 0 H LYS B 14 144.007 -0.252 -11.559 1.00 0.24 H new ATOM 0 HA LYS B 14 145.740 0.961 -9.810 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.047 1.800 -10.946 1.00 0.34 H new ATOM 0 HB3 LYS B 14 144.008 2.893 -9.969 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.828 2.849 -11.569 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.077 1.551 -12.476 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.404 3.341 -13.767 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.051 3.274 -12.656 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.645 5.215 -11.585 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.363 4.897 -11.721 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.710 6.782 -13.073 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.264 5.521 -14.066 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.599 5.829 -13.934 1.00 0.72 H new ATOM 946 N HIS B 15 142.945 0.128 -8.299 1.00 0.24 N ATOM 947 CA HIS B 15 142.317 0.005 -6.982 1.00 0.27 C ATOM 948 C HIS B 15 143.166 -0.862 -6.050 1.00 0.25 C ATOM 949 O HIS B 15 143.299 -0.565 -4.862 1.00 0.45 O ATOM 950 CB HIS B 15 140.915 -0.601 -7.110 1.00 0.33 C ATOM 951 CG HIS B 15 139.858 0.393 -7.482 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.939 0.887 -6.581 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.573 0.981 -8.667 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.134 1.734 -7.196 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.497 1.810 -8.463 1.00 0.76 N ATOM 0 H HIS B 15 142.436 -0.333 -9.053 1.00 0.24 H new ATOM 0 HA HIS B 15 142.238 1.005 -6.556 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.938 -1.391 -7.861 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.644 -1.069 -6.164 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.095 0.827 -9.600 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.317 2.273 -6.740 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.051 2.390 -9.174 1.00 0.76 H new ATOM 964 N LYS B 16 143.738 -1.935 -6.603 1.00 0.21 N ATOM 965 CA LYS B 16 144.575 -2.854 -5.833 1.00 0.27 C ATOM 966 C LYS B 16 145.907 -2.210 -5.448 1.00 0.36 C ATOM 967 O LYS B 16 146.299 -2.241 -4.280 1.00 0.69 O ATOM 968 CB LYS B 16 144.827 -4.137 -6.630 1.00 0.35 C ATOM 969 CG LYS B 16 143.579 -4.982 -6.835 1.00 0.46 C ATOM 970 CD LYS B 16 143.909 -6.316 -7.488 1.00 0.49 C ATOM 971 CE LYS B 16 144.347 -7.349 -6.461 1.00 0.53 C ATOM 972 NZ LYS B 16 145.500 -8.161 -6.943 1.00 0.61 N ATOM 0 H LYS B 16 143.635 -2.188 -7.586 1.00 0.21 H new ATOM 0 HA LYS B 16 144.040 -3.099 -4.915 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.242 -3.875 -7.603 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.579 -4.734 -6.114 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.095 -5.156 -5.874 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.868 -4.438 -7.456 1.00 0.46 H new ATOM 0 HD2 LYS B 16 143.035 -6.684 -8.026 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.701 -6.176 -8.224 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.621 -6.845 -5.534 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.510 -8.008 -6.230 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.767 -8.852 -6.213 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.232 -8.662 -7.814 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.307 -7.535 -7.139 1.00 0.61 H new ATOM 986 N GLU B 17 146.602 -1.626 -6.432 1.00 0.30 N ATOM 987 CA GLU B 17 147.893 -0.976 -6.182 1.00 0.38 C ATOM 988 C GLU B 17 147.739 0.240 -5.267 1.00 0.32 C ATOM 989 O GLU B 17 148.625 0.528 -4.462 1.00 0.40 O ATOM 990 CB GLU B 17 148.563 -0.564 -7.499 1.00 0.51 C ATOM 991 CG GLU B 17 147.700 0.326 -8.383 1.00 0.80 C ATOM 992 CD GLU B 17 147.937 0.090 -9.865 1.00 1.10 C ATOM 993 OE1 GLU B 17 147.908 -1.083 -10.295 1.00 1.47 O ATOM 994 OE2 GLU B 17 148.147 1.081 -10.596 1.00 1.49 O ATOM 0 H GLU B 17 146.294 -1.591 -7.404 1.00 0.30 H new ATOM 0 HA GLU B 17 148.530 -1.703 -5.678 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.493 -0.042 -7.273 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.829 -1.463 -8.056 1.00 0.51 H new ATOM 0 HG2 GLU B 17 146.649 0.148 -8.155 1.00 0.80 H new ATOM 0 HG3 GLU B 17 147.904 1.371 -8.149 1.00 0.80 H new ATOM 1001 N LEU B 18 146.603 0.939 -5.379 1.00 0.32 N ATOM 1002 CA LEU B 18 146.339 2.106 -4.537 1.00 0.34 C ATOM 1003 C LEU B 18 146.306 1.692 -3.068 1.00 0.35 C ATOM 1004 O LEU B 18 146.830 2.393 -2.202 1.00 0.66 O ATOM 1005 CB LEU B 18 145.009 2.763 -4.920 1.00 0.51 C ATOM 1006 CG LEU B 18 145.124 3.977 -5.844 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.752 4.384 -6.361 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.791 5.139 -5.119 1.00 0.75 C ATOM 0 H LEU B 18 145.859 0.717 -6.040 1.00 0.32 H new ATOM 0 HA LEU B 18 147.140 2.829 -4.691 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.380 2.016 -5.404 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.497 3.068 -4.007 1.00 0.51 H new ATOM 0 HG LEU B 18 145.745 3.704 -6.697 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.852 5.249 -7.017 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.312 3.556 -6.917 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.107 4.639 -5.520 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.864 5.994 -5.792 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.197 5.413 -4.247 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.790 4.843 -4.799 1.00 0.75 H new ATOM 1020 N LEU B 19 145.696 0.534 -2.809 1.00 0.45 N ATOM 1021 CA LEU B 19 145.598 -0.005 -1.458 1.00 0.47 C ATOM 1022 C LEU B 19 146.952 -0.534 -0.985 1.00 0.33 C ATOM 1023 O LEU B 19 147.267 -0.467 0.205 1.00 0.45 O ATOM 1024 CB LEU B 19 144.555 -1.127 -1.404 1.00 0.63 C ATOM 1025 CG LEU B 19 143.104 -0.675 -1.589 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.225 -1.851 -1.988 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.584 -0.023 -0.316 1.00 0.96 C ATOM 0 H LEU B 19 145.261 -0.049 -3.524 1.00 0.45 H new ATOM 0 HA LEU B 19 145.287 0.802 -0.795 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.792 -1.860 -2.175 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.641 -1.636 -0.444 1.00 0.63 H new ATOM 0 HG LEU B 19 143.071 0.063 -2.391 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.197 -1.511 -2.115 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.586 -2.273 -2.926 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.261 -2.613 -1.209 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.551 0.293 -0.464 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.630 -0.739 0.505 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.198 0.845 -0.075 1.00 0.96 H new ATOM 1039 N ARG B 20 147.749 -1.064 -1.921 1.00 0.35 N ATOM 1040 CA ARG B 20 149.063 -1.607 -1.587 1.00 0.49 C ATOM 1041 C ARG B 20 149.996 -0.513 -1.073 1.00 0.40 C ATOM 1042 O ARG B 20 150.461 -0.583 0.066 1.00 0.49 O ATOM 1043 CB ARG B 20 149.685 -2.296 -2.806 1.00 0.76 C ATOM 1044 CG ARG B 20 149.160 -3.703 -3.044 1.00 0.85 C ATOM 1045 CD ARG B 20 150.288 -4.677 -3.349 1.00 0.96 C ATOM 1046 NE ARG B 20 150.060 -5.991 -2.746 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.661 -7.114 -3.150 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.533 -7.089 -4.155 1.00 1.68 N ATOM 1049 NH2 ARG B 20 150.390 -8.265 -2.544 1.00 1.59 N ATOM 0 H ARG B 20 147.505 -1.126 -2.909 1.00 0.35 H new ATOM 0 HA ARG B 20 148.928 -2.343 -0.794 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.493 -1.691 -3.692 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.766 -2.338 -2.677 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.614 -4.042 -2.164 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.453 -3.693 -3.874 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.389 -4.787 -4.429 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.229 -4.268 -2.981 1.00 0.96 H new ATOM 0 HE ARG B 20 149.402 -6.053 -1.969 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.747 -6.208 -4.623 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.988 -7.951 -4.457 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.724 -8.290 -1.772 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.848 -9.123 -2.851 1.00 1.59 H new ATOM 1063 N ARG B 21 150.277 0.497 -1.908 1.00 0.35 N ATOM 1064 CA ARG B 21 151.162 1.596 -1.523 1.00 0.35 C ATOM 1065 C ARG B 21 150.672 2.298 -0.259 1.00 0.34 C ATOM 1066 O ARG B 21 151.477 2.669 0.593 1.00 0.47 O ATOM 1067 CB ARG B 21 151.272 2.605 -2.672 1.00 0.45 C ATOM 1068 CG ARG B 21 152.176 3.793 -2.373 1.00 0.70 C ATOM 1069 CD ARG B 21 151.757 5.020 -3.167 1.00 0.98 C ATOM 1070 NE ARG B 21 152.665 6.149 -2.960 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.783 7.178 -3.804 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.057 7.226 -4.918 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.631 8.165 -3.532 1.00 1.53 N ATOM 0 H ARG B 21 149.902 0.572 -2.854 1.00 0.35 H new ATOM 0 HA ARG B 21 152.144 1.174 -1.311 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.646 2.091 -3.557 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.275 2.973 -2.915 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.143 4.018 -1.307 1.00 0.70 H new ATOM 0 HG3 ARG B 21 153.208 3.537 -2.613 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.726 4.771 -4.228 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.747 5.310 -2.878 1.00 0.98 H new ATOM 0 HE ARG B 21 153.243 6.150 -2.120 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.403 6.473 -5.134 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.154 8.016 -5.556 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.191 8.136 -2.680 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.722 8.951 -4.176 1.00 1.53 H new ATOM 1087 N LYS B 22 149.354 2.479 -0.140 1.00 0.30 N ATOM 1088 CA LYS B 22 148.774 3.137 1.031 1.00 0.36 C ATOM 1089 C LYS B 22 149.287 2.498 2.322 1.00 0.31 C ATOM 1090 O LYS B 22 149.730 3.196 3.235 1.00 0.36 O ATOM 1091 CB LYS B 22 147.245 3.067 0.988 1.00 0.47 C ATOM 1092 CG LYS B 22 146.567 4.375 1.364 1.00 0.69 C ATOM 1093 CD LYS B 22 145.061 4.303 1.163 1.00 0.86 C ATOM 1094 CE LYS B 22 144.334 4.028 2.471 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.939 5.286 3.166 1.00 0.70 N ATOM 0 H LYS B 22 148.672 2.180 -0.837 1.00 0.30 H new ATOM 0 HA LYS B 22 149.079 4.183 1.013 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.930 2.779 -0.015 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.906 2.283 1.665 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.785 4.612 2.405 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.977 5.185 0.760 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.705 5.242 0.738 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.826 3.518 0.444 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.445 3.429 2.273 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.976 3.439 3.126 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.447 5.053 4.052 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.789 5.847 3.379 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.305 5.837 2.553 1.00 0.70 H new ATOM 1109 N ASP B 23 149.222 1.166 2.384 1.00 0.32 N ATOM 1110 CA ASP B 23 149.676 0.418 3.556 1.00 0.32 C ATOM 1111 C ASP B 23 151.204 0.454 3.707 1.00 0.30 C ATOM 1112 O ASP B 23 151.724 0.211 4.797 1.00 0.37 O ATOM 1113 CB ASP B 23 149.194 -1.032 3.468 1.00 0.36 C ATOM 1114 CG ASP B 23 147.766 -1.195 3.955 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.838 -1.049 3.133 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.577 -1.467 5.160 1.00 1.11 O ATOM 0 H ASP B 23 148.857 0.582 1.632 1.00 0.32 H new ATOM 0 HA ASP B 23 149.248 0.896 4.437 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.265 -1.374 2.435 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.852 -1.668 4.060 1.00 0.36 H new ATOM 1121 N THR B 24 151.919 0.763 2.619 1.00 0.28 N ATOM 1122 CA THR B 24 153.380 0.837 2.646 1.00 0.29 C ATOM 1123 C THR B 24 153.860 2.254 2.989 1.00 0.27 C ATOM 1124 O THR B 24 154.936 2.426 3.563 1.00 0.32 O ATOM 1125 CB THR B 24 153.955 0.399 1.294 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.459 -0.877 0.930 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.467 0.322 1.276 1.00 0.55 C ATOM 0 H THR B 24 151.506 0.966 1.708 1.00 0.28 H new ATOM 0 HA THR B 24 153.737 0.162 3.424 1.00 0.29 H new ATOM 0 HB THR B 24 153.640 1.167 0.587 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.512 -0.803 0.690 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.803 0.006 0.289 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.884 1.303 1.505 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.804 -0.398 2.022 1.00 0.55 H new ATOM 1135 N HIS B 25 153.045 3.259 2.648 1.00 0.26 N ATOM 1136 CA HIS B 25 153.377 4.656 2.933 1.00 0.29 C ATOM 1137 C HIS B 25 153.229 4.942 4.425 1.00 0.31 C ATOM 1138 O HIS B 25 154.000 5.712 4.999 1.00 0.41 O ATOM 1139 CB HIS B 25 152.493 5.606 2.121 1.00 0.34 C ATOM 1140 CG HIS B 25 153.234 6.787 1.574 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.307 8.000 2.227 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.940 6.937 0.428 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.023 8.844 1.506 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.419 8.224 0.410 1.00 0.74 N ATOM 0 H HIS B 25 152.151 3.129 2.174 1.00 0.26 H new ATOM 0 HA HIS B 25 154.414 4.824 2.643 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.043 5.055 1.295 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.677 5.959 2.751 1.00 0.34 H new ATOM 0 HD2 HIS B 25 154.097 6.185 -0.331 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.246 9.867 1.769 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.988 8.634 -0.330 1.00 0.74 H new ATOM 1153 N ILE B 26 152.249 4.290 5.055 1.00 0.29 N ATOM 1154 CA ILE B 26 152.025 4.445 6.489 1.00 0.35 C ATOM 1155 C ILE B 26 153.057 3.629 7.279 1.00 0.35 C ATOM 1156 O ILE B 26 153.260 3.861 8.472 1.00 0.47 O ATOM 1157 CB ILE B 26 150.599 4.010 6.902 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.317 2.570 6.457 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.565 4.962 6.317 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.982 1.635 7.599 1.00 0.68 C ATOM 0 H ILE B 26 151.601 3.652 4.594 1.00 0.29 H new ATOM 0 HA ILE B 26 152.135 5.504 6.720 1.00 0.35 H new ATOM 0 HB ILE B 26 150.531 4.048 7.989 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.490 2.574 5.748 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.189 2.185 5.928 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.567 4.643 6.616 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.749 5.971 6.686 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.638 4.954 5.229 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.795 0.635 7.208 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.818 1.601 8.298 1.00 0.68 H new ATOM 0 HD13 ILE B 26 149.092 1.995 8.115 1.00 0.68 H new ATOM 1172 N ARG B 27 153.719 2.686 6.592 1.00 0.31 N ATOM 1173 CA ARG B 27 154.744 1.847 7.205 1.00 0.37 C ATOM 1174 C ARG B 27 156.112 2.526 7.118 1.00 0.34 C ATOM 1175 O ARG B 27 156.885 2.499 8.077 1.00 0.39 O ATOM 1176 CB ARG B 27 154.790 0.479 6.520 1.00 0.46 C ATOM 1177 CG ARG B 27 155.595 -0.561 7.284 1.00 0.53 C ATOM 1178 CD ARG B 27 156.796 -1.039 6.482 1.00 0.80 C ATOM 1179 NE ARG B 27 156.472 -2.189 5.637 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.383 -2.925 4.993 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.678 -2.636 5.090 1.00 1.21 N ATOM 1182 NH2 ARG B 27 156.996 -3.955 4.249 1.00 1.67 N ATOM 0 H ARG B 27 153.556 2.489 5.604 1.00 0.31 H new ATOM 0 HA ARG B 27 154.492 1.705 8.256 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.771 0.113 6.390 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.217 0.596 5.524 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.933 -0.137 8.230 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.957 -1.411 7.526 1.00 0.53 H new ATOM 0 HD2 ARG B 27 157.163 -0.224 5.859 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.603 -1.307 7.164 1.00 0.80 H new ATOM 0 HE ARG B 27 155.490 -2.445 5.533 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.983 -1.847 5.660 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.366 -3.204 4.595 1.00 1.21 H new ATOM 0 HH21 ARG B 27 156.005 -4.183 4.170 1.00 1.67 H new ATOM 0 HH22 ARG B 27 157.690 -4.518 3.757 1.00 1.67 H new ATOM 1196 N GLU B 28 156.401 3.148 5.969 1.00 0.33 N ATOM 1197 CA GLU B 28 157.673 3.848 5.779 1.00 0.36 C ATOM 1198 C GLU B 28 157.753 5.056 6.712 1.00 0.35 C ATOM 1199 O GLU B 28 158.784 5.293 7.345 1.00 0.44 O ATOM 1200 CB GLU B 28 157.869 4.283 4.317 1.00 0.47 C ATOM 1201 CG GLU B 28 156.644 4.925 3.680 1.00 0.78 C ATOM 1202 CD GLU B 28 156.862 6.382 3.316 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.949 7.219 4.238 1.00 1.79 O ATOM 1204 OE2 GLU B 28 156.944 6.685 2.107 1.00 1.62 O ATOM 0 H GLU B 28 155.776 3.180 5.164 1.00 0.33 H new ATOM 0 HA GLU B 28 158.477 3.154 6.025 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.699 4.988 4.269 1.00 0.47 H new ATOM 0 HB3 GLU B 28 158.155 3.412 3.727 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.374 4.368 2.783 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.802 4.850 4.368 1.00 0.78 H new ATOM 1211 N LEU B 29 156.649 5.805 6.811 1.00 0.33 N ATOM 1212 CA LEU B 29 156.583 6.974 7.687 1.00 0.38 C ATOM 1213 C LEU B 29 156.603 6.561 9.166 1.00 0.42 C ATOM 1214 O LEU B 29 156.847 7.391 10.042 1.00 0.79 O ATOM 1215 CB LEU B 29 155.324 7.795 7.391 1.00 0.46 C ATOM 1216 CG LEU B 29 155.569 9.284 7.126 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.166 9.650 5.704 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.811 10.137 8.134 1.00 0.59 C ATOM 0 H LEU B 29 155.790 5.620 6.294 1.00 0.33 H new ATOM 0 HA LEU B 29 157.462 7.587 7.490 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.824 7.365 6.524 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.640 7.699 8.234 1.00 0.46 H new ATOM 0 HG LEU B 29 156.635 9.482 7.240 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.348 10.712 5.536 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.754 9.065 4.997 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.107 9.436 5.559 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.997 11.192 7.931 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.743 9.934 8.052 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.150 9.897 9.142 1.00 0.59 H new ATOM 1230 N GLU B 30 156.379 5.267 9.430 1.00 0.43 N ATOM 1231 CA GLU B 30 156.406 4.745 10.794 1.00 0.45 C ATOM 1232 C GLU B 30 157.846 4.685 11.305 1.00 0.44 C ATOM 1233 O GLU B 30 158.098 4.865 12.498 1.00 0.58 O ATOM 1234 CB GLU B 30 155.760 3.358 10.861 1.00 0.51 C ATOM 1235 CG GLU B 30 154.326 3.380 11.368 1.00 0.58 C ATOM 1236 CD GLU B 30 154.238 3.608 12.865 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.252 4.783 13.289 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.157 2.611 13.614 1.00 1.26 O ATOM 0 H GLU B 30 156.178 4.567 8.716 1.00 0.43 H new ATOM 0 HA GLU B 30 155.832 5.418 11.431 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.779 2.909 9.868 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.357 2.719 11.511 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.774 4.166 10.852 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.842 2.435 11.119 1.00 0.58 H new ATOM 1245 N ASP B 31 158.790 4.466 10.382 1.00 0.41 N ATOM 1246 CA ASP B 31 160.209 4.423 10.722 1.00 0.55 C ATOM 1247 C ASP B 31 160.787 5.842 10.738 1.00 0.57 C ATOM 1248 O ASP B 31 161.726 6.132 11.481 1.00 0.76 O ATOM 1249 CB ASP B 31 160.976 3.555 9.720 1.00 0.69 C ATOM 1250 CG ASP B 31 162.218 2.931 10.327 1.00 1.28 C ATOM 1251 OD1 ASP B 31 163.287 3.576 10.286 1.00 1.66 O ATOM 1252 OD2 ASP B 31 162.121 1.798 10.845 1.00 1.74 O ATOM 0 H ASP B 31 158.592 4.316 9.393 1.00 0.41 H new ATOM 0 HA ASP B 31 160.315 3.983 11.714 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.320 2.767 9.350 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.261 4.162 8.861 1.00 0.69 H new ATOM 1257 N TYR B 32 160.191 6.724 9.925 1.00 0.49 N ATOM 1258 CA TYR B 32 160.614 8.122 9.853 1.00 0.56 C ATOM 1259 C TYR B 32 160.366 8.810 11.193 1.00 0.56 C ATOM 1260 O TYR B 32 161.196 9.586 11.668 1.00 0.67 O ATOM 1261 CB TYR B 32 159.869 8.859 8.734 1.00 0.60 C ATOM 1262 CG TYR B 32 160.404 8.572 7.345 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.764 8.388 7.122 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.545 8.487 6.255 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.251 8.128 5.855 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.026 8.226 4.986 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.379 8.048 4.791 1.00 1.21 C ATOM 1268 OH TYR B 32 161.861 7.789 3.528 1.00 1.53 O ATOM 0 H TYR B 32 159.413 6.490 9.308 1.00 0.49 H new ATOM 0 HA TYR B 32 161.680 8.150 9.629 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.815 8.584 8.770 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.925 9.932 8.919 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.451 8.449 7.953 1.00 1.15 H new ATOM 0 HD2 TYR B 32 158.484 8.627 6.402 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.311 7.988 5.699 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.345 8.162 4.150 1.00 1.17 H new ATOM 0 HH TYR B 32 161.116 7.764 2.892 1.00 1.53 H new ATOM 1278 N ILE B 33 159.222 8.495 11.808 1.00 0.54 N ATOM 1279 CA ILE B 33 158.864 9.055 13.107 1.00 0.64 C ATOM 1280 C ILE B 33 159.683 8.390 14.213 1.00 0.58 C ATOM 1281 O ILE B 33 160.136 9.059 15.143 1.00 0.78 O ATOM 1282 CB ILE B 33 157.358 8.875 13.409 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.509 9.558 12.332 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.017 9.428 14.788 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.162 8.901 12.114 1.00 0.87 C ATOM 0 H ILE B 33 158.529 7.853 11.423 1.00 0.54 H new ATOM 0 HA ILE B 33 159.084 10.122 13.074 1.00 0.64 H new ATOM 0 HB ILE B 33 157.132 7.809 13.402 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.355 10.601 12.610 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.061 9.557 11.392 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.953 9.292 14.982 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.594 8.898 15.546 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.259 10.490 14.824 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.617 9.438 11.338 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.308 7.866 11.805 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.591 8.925 13.042 1.00 0.87 H new ATOM 1297 N ASP B 34 159.852 7.063 14.103 1.00 0.46 N ATOM 1298 CA ASP B 34 160.605 6.271 15.083 1.00 0.50 C ATOM 1299 C ASP B 34 161.875 6.975 15.566 1.00 0.40 C ATOM 1300 O ASP B 34 162.246 6.835 16.724 1.00 0.45 O ATOM 1301 CB ASP B 34 160.972 4.907 14.490 1.00 0.69 C ATOM 1302 CG ASP B 34 160.303 3.758 15.219 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.679 3.491 16.380 1.00 1.46 O ATOM 1304 OD2 ASP B 34 159.403 3.125 14.627 1.00 1.34 O ATOM 0 H ASP B 34 159.471 6.512 13.334 1.00 0.46 H new ATOM 0 HA ASP B 34 159.954 6.143 15.948 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.685 4.882 13.439 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.054 4.777 14.528 1.00 0.69 H new ATOM 1309 N ASN B 35 162.536 7.725 14.678 1.00 0.52 N ATOM 1310 CA ASN B 35 163.764 8.451 15.026 1.00 0.58 C ATOM 1311 C ASN B 35 163.666 9.083 16.417 1.00 0.49 C ATOM 1312 O ASN B 35 164.625 9.050 17.189 1.00 0.61 O ATOM 1313 CB ASN B 35 164.056 9.531 13.980 1.00 0.78 C ATOM 1314 CG ASN B 35 164.799 8.983 12.775 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.029 8.977 12.742 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.054 8.518 11.776 1.00 1.31 N ATOM 0 H ASN B 35 162.240 7.846 13.709 1.00 0.52 H new ATOM 0 HA ASN B 35 164.583 7.732 15.039 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.118 9.979 13.652 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.646 10.326 14.437 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.500 8.137 10.941 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.037 8.542 11.845 1.00 1.31 H new ATOM 1323 N LEU B 36 162.494 9.640 16.736 1.00 0.44 N ATOM 1324 CA LEU B 36 162.262 10.256 18.042 1.00 0.51 C ATOM 1325 C LEU B 36 162.312 9.198 19.146 1.00 0.47 C ATOM 1326 O LEU B 36 162.978 9.384 20.166 1.00 0.59 O ATOM 1327 CB LEU B 36 160.906 10.973 18.067 1.00 0.71 C ATOM 1328 CG LEU B 36 160.671 11.969 16.928 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.184 12.241 16.754 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.427 13.265 17.187 1.00 1.64 C ATOM 0 H LEU B 36 161.692 9.676 16.106 1.00 0.44 H new ATOM 0 HA LEU B 36 163.049 10.989 18.218 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.116 10.222 18.040 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.811 11.502 19.015 1.00 0.71 H new ATOM 0 HG LEU B 36 161.049 11.531 16.004 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.037 12.951 15.940 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.669 11.309 16.521 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.780 12.658 17.677 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.248 13.961 16.367 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.081 13.708 18.121 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.494 13.056 17.259 1.00 1.64 H new ATOM 1342 N LEU B 37 161.612 8.083 18.922 1.00 0.41 N ATOM 1343 CA LEU B 37 161.577 6.980 19.880 1.00 0.48 C ATOM 1344 C LEU B 37 162.175 5.707 19.267 1.00 0.41 C ATOM 1345 O LEU B 37 161.502 4.679 19.159 1.00 0.54 O ATOM 1346 CB LEU B 37 160.136 6.722 20.339 1.00 0.65 C ATOM 1347 CG LEU B 37 159.130 6.443 19.214 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.151 5.353 19.627 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.388 7.717 18.833 1.00 0.69 C ATOM 0 H LEU B 37 161.060 7.922 18.080 1.00 0.41 H new ATOM 0 HA LEU B 37 162.179 7.258 20.745 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.136 5.873 21.023 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.792 7.587 20.905 1.00 0.65 H new ATOM 0 HG LEU B 37 159.680 6.093 18.341 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.446 5.170 18.816 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.698 4.436 19.846 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.606 5.671 20.516 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.679 7.500 18.034 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.851 8.099 19.701 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.102 8.466 18.491 1.00 0.69 H new ATOM 1361 N VAL B 38 163.446 5.787 18.861 1.00 0.36 N ATOM 1362 CA VAL B 38 164.142 4.651 18.251 1.00 0.49 C ATOM 1363 C VAL B 38 163.967 3.382 19.089 1.00 0.67 C ATOM 1364 O VAL B 38 163.711 3.457 20.291 1.00 1.35 O ATOM 1365 CB VAL B 38 165.651 4.949 18.074 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.381 3.759 17.464 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.853 6.193 17.219 1.00 0.89 C ATOM 0 H VAL B 38 164.015 6.630 18.944 1.00 0.36 H new ATOM 0 HA VAL B 38 163.697 4.491 17.269 1.00 0.49 H new ATOM 0 HB VAL B 38 166.074 5.132 19.062 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.438 3.999 17.352 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.273 2.892 18.116 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.955 3.533 16.486 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.920 6.387 17.105 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.406 6.036 16.237 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.378 7.047 17.702 1.00 0.89 H new ATOM 1377 N ARG B 39 164.090 2.223 18.432 1.00 0.54 N ATOM 1378 CA ARG B 39 163.931 0.920 19.087 1.00 0.62 C ATOM 1379 C ARG B 39 164.816 0.788 20.331 1.00 0.51 C ATOM 1380 O ARG B 39 165.919 0.239 20.270 1.00 0.63 O ATOM 1381 CB ARG B 39 164.243 -0.210 18.098 1.00 0.93 C ATOM 1382 CG ARG B 39 163.006 -0.931 17.586 1.00 1.15 C ATOM 1383 CD ARG B 39 163.376 -2.112 16.703 1.00 1.41 C ATOM 1384 NE ARG B 39 162.198 -2.754 16.117 1.00 1.58 N ATOM 1385 CZ ARG B 39 162.248 -3.644 15.122 1.00 1.77 C ATOM 1386 NH1 ARG B 39 163.417 -4.005 14.596 1.00 2.06 N ATOM 1387 NH2 ARG B 39 161.125 -4.175 14.651 1.00 2.18 N ATOM 0 H ARG B 39 164.302 2.162 17.436 1.00 0.54 H new ATOM 0 HA ARG B 39 162.894 0.844 19.413 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.790 0.202 17.250 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.901 -0.933 18.581 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.411 -1.279 18.430 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.385 -0.235 17.023 1.00 1.15 H new ATOM 0 HD2 ARG B 39 164.038 -1.774 15.906 1.00 1.41 H new ATOM 0 HD3 ARG B 39 163.932 -2.843 17.291 1.00 1.41 H new ATOM 0 HE ARG B 39 161.282 -2.506 16.492 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.283 -3.601 14.953 1.00 2.06 H new ATOM 0 HH12 ARG B 39 163.446 -4.685 13.837 1.00 2.06 H new ATOM 0 HH21 ARG B 39 160.226 -3.903 15.049 1.00 2.18 H new ATOM 0 HH22 ARG B 39 161.162 -4.855 13.891 1.00 2.18 H new ATOM 1401 N VAL B 40 164.313 1.292 21.460 1.00 0.43 N ATOM 1402 CA VAL B 40 165.032 1.237 22.732 1.00 0.56 C ATOM 1403 C VAL B 40 164.040 1.180 23.898 1.00 0.71 C ATOM 1404 O VAL B 40 163.971 2.097 24.721 1.00 1.15 O ATOM 1405 CB VAL B 40 165.973 2.454 22.916 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.832 2.287 24.163 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.849 2.658 21.687 1.00 0.65 C ATOM 0 H VAL B 40 163.402 1.747 21.517 1.00 0.43 H new ATOM 0 HA VAL B 40 165.643 0.334 22.721 1.00 0.56 H new ATOM 0 HB VAL B 40 165.353 3.342 23.041 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.485 3.152 24.273 1.00 1.04 H new ATOM 0 HG12 VAL B 40 166.189 2.204 25.039 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.437 1.385 24.070 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.500 3.518 21.843 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.457 1.769 21.522 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.218 2.833 20.816 1.00 0.65 H new ATOM 1417 N MET B 41 163.265 0.096 23.954 1.00 0.60 N ATOM 1418 CA MET B 41 162.269 -0.084 25.010 1.00 0.74 C ATOM 1419 C MET B 41 162.754 -1.083 26.058 1.00 0.91 C ATOM 1420 O MET B 41 163.099 -2.223 25.679 1.00 0.91 O ATOM 1421 CB MET B 41 160.937 -0.554 24.415 1.00 0.73 C ATOM 1422 CG MET B 41 160.433 0.316 23.272 1.00 0.74 C ATOM 1423 SD MET B 41 160.193 -0.614 21.746 1.00 0.86 S ATOM 1424 CE MET B 41 159.946 0.715 20.571 1.00 0.70 C ATOM 1425 OXT MET B 41 162.784 -0.716 27.251 1.00 1.13 O ATOM 0 H MET B 41 163.308 -0.669 23.281 1.00 0.60 H new ATOM 0 HA MET B 41 162.120 0.880 25.497 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.051 -1.577 24.057 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.184 -0.574 25.203 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.490 0.780 23.562 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.144 1.123 23.093 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.784 0.297 19.578 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.076 1.302 20.864 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.828 1.356 20.556 1.00 0.70 H new