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= -0.127 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= -2.34 K(o=-2.3,f=-0.081) 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= -0.162 X(o=-0.16,f=-0.37) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.385 X(o=0.39,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= -0.674 K(o=-0.67,f=-0.019) 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= -0.193 X(o=-0.19,f=-0.26) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.388 X(o=0.39,f=0) USER MOD Single : B 41 MET CE :methyl 145:sc= -0.253 (180deg=-1.91!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.313 -18.632 -19.330 1.00 0.77 N ATOM 2 CA GLY A 1 130.919 -18.465 -18.831 1.00 0.81 C ATOM 3 C GLY A 1 130.711 -17.155 -18.092 1.00 0.65 C ATOM 4 O GLY A 1 130.431 -16.126 -18.711 1.00 0.70 O ATOM 0 H1 GLY A 1 132.398 -19.542 -19.826 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.542 -17.858 -19.986 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.974 -18.612 -18.527 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.228 -18.516 -19.673 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.674 -19.294 -18.167 1.00 0.81 H new ATOM 10 N SER A 2 130.843 -17.195 -16.766 1.00 0.55 N ATOM 11 CA SER A 2 130.663 -16.005 -15.934 1.00 0.48 C ATOM 12 C SER A 2 131.977 -15.266 -15.720 1.00 0.47 C ATOM 13 O SER A 2 131.982 -14.039 -15.675 1.00 0.71 O ATOM 14 CB SER A 2 130.049 -16.382 -14.583 1.00 0.54 C ATOM 15 OG SER A 2 128.731 -16.876 -14.740 1.00 0.67 O ATOM 0 H SER A 2 131.074 -18.040 -16.244 1.00 0.55 H new ATOM 0 HA SER A 2 129.983 -15.337 -16.462 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.668 -17.137 -14.097 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.038 -15.510 -13.929 1.00 0.54 H new ATOM 0 HG SER A 2 128.363 -17.111 -13.863 1.00 0.67 H new ATOM 21 N LEU A 3 133.083 -16.013 -15.598 1.00 0.38 N ATOM 22 CA LEU A 3 134.409 -15.413 -15.405 1.00 0.43 C ATOM 23 C LEU A 3 134.769 -14.555 -16.618 1.00 0.53 C ATOM 24 O LEU A 3 135.544 -14.963 -17.486 1.00 0.88 O ATOM 25 CB LEU A 3 135.468 -16.503 -15.181 1.00 0.48 C ATOM 26 CG LEU A 3 135.390 -17.697 -16.140 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.740 -17.947 -16.796 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.910 -18.941 -15.404 1.00 1.42 C ATOM 0 H LEU A 3 133.085 -17.033 -15.630 1.00 0.38 H new ATOM 0 HA LEU A 3 134.384 -14.779 -14.519 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.456 -16.051 -15.269 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.376 -16.872 -14.159 1.00 0.48 H new ATOM 0 HG LEU A 3 134.669 -17.463 -16.924 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.664 -18.798 -17.473 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.041 -17.063 -17.358 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.484 -18.160 -16.028 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.860 -19.779 -16.099 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.605 -19.178 -14.599 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.920 -18.757 -14.986 1.00 1.42 H new ATOM 40 N THR A 4 134.150 -13.380 -16.683 1.00 0.41 N ATOM 41 CA THR A 4 134.331 -12.458 -17.794 1.00 0.49 C ATOM 42 C THR A 4 133.861 -11.047 -17.413 1.00 0.39 C ATOM 43 O THR A 4 133.811 -10.703 -16.234 1.00 0.39 O ATOM 44 CB THR A 4 133.572 -12.970 -19.034 1.00 0.65 C ATOM 45 OG1 THR A 4 132.833 -14.147 -18.741 1.00 0.64 O ATOM 46 CG2 THR A 4 134.484 -13.285 -20.198 1.00 0.80 C ATOM 0 H THR A 4 133.509 -13.042 -15.965 1.00 0.41 H new ATOM 0 HA THR A 4 135.393 -12.404 -18.033 1.00 0.49 H new ATOM 0 HB THR A 4 132.906 -12.154 -19.313 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.362 -14.446 -19.546 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.890 -13.641 -21.040 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.025 -12.385 -20.490 1.00 0.80 H new ATOM 0 HG23 THR A 4 135.195 -14.057 -19.904 1.00 0.80 H new ATOM 54 N TYR A 5 133.545 -10.242 -18.429 1.00 0.48 N ATOM 55 CA TYR A 5 133.087 -8.858 -18.242 1.00 0.46 C ATOM 56 C TYR A 5 132.190 -8.709 -17.009 1.00 0.42 C ATOM 57 O TYR A 5 132.470 -7.898 -16.126 1.00 0.47 O ATOM 58 CB TYR A 5 132.332 -8.384 -19.483 1.00 0.59 C ATOM 59 CG TYR A 5 131.935 -6.921 -19.441 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.876 -5.929 -19.189 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.617 -6.535 -19.650 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.514 -4.596 -19.147 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.248 -5.204 -19.611 1.00 0.90 C ATOM 64 CZ TYR A 5 131.200 -4.239 -19.359 1.00 0.65 C ATOM 65 OH TYR A 5 130.835 -2.912 -19.318 1.00 0.79 O ATOM 0 H TYR A 5 133.598 -10.528 -19.407 1.00 0.48 H new ATOM 0 HA TYR A 5 133.973 -8.242 -18.087 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.953 -8.556 -20.362 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.434 -8.990 -19.603 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.907 -6.205 -19.023 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.868 -7.288 -19.846 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.257 -3.838 -18.949 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.219 -4.921 -19.777 1.00 0.90 H new ATOM 0 HH TYR A 5 129.873 -2.832 -19.489 1.00 0.79 H new ATOM 75 N GLU A 6 131.104 -9.481 -16.963 1.00 0.48 N ATOM 76 CA GLU A 6 130.162 -9.422 -15.844 1.00 0.50 C ATOM 77 C GLU A 6 130.839 -9.748 -14.508 1.00 0.38 C ATOM 78 O GLU A 6 130.430 -9.238 -13.463 1.00 0.47 O ATOM 79 CB GLU A 6 128.991 -10.381 -16.083 1.00 0.60 C ATOM 80 CG GLU A 6 127.650 -9.678 -16.224 1.00 0.65 C ATOM 81 CD GLU A 6 126.486 -10.556 -15.804 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.142 -10.551 -14.603 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.919 -11.247 -16.676 1.00 1.16 O ATOM 0 H GLU A 6 130.854 -10.155 -17.687 1.00 0.48 H new ATOM 0 HA GLU A 6 129.789 -8.400 -15.787 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.185 -10.961 -16.985 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.936 -11.088 -15.255 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.654 -8.771 -15.619 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.513 -9.369 -17.260 1.00 0.65 H new ATOM 90 N GLU A 7 131.865 -10.603 -14.543 1.00 0.30 N ATOM 91 CA GLU A 7 132.583 -10.996 -13.326 1.00 0.29 C ATOM 92 C GLU A 7 133.561 -9.918 -12.852 1.00 0.28 C ATOM 93 O GLU A 7 133.916 -9.890 -11.676 1.00 0.46 O ATOM 94 CB GLU A 7 133.336 -12.311 -13.550 1.00 0.40 C ATOM 95 CG GLU A 7 133.907 -12.919 -12.275 1.00 0.56 C ATOM 96 CD GLU A 7 135.356 -12.533 -12.029 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.184 -12.704 -12.950 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.663 -12.062 -10.913 1.00 0.81 O ATOM 0 H GLU A 7 132.217 -11.035 -15.397 1.00 0.30 H new ATOM 0 HA GLU A 7 131.833 -11.129 -12.546 1.00 0.29 H new ATOM 0 HB2 GLU A 7 132.661 -13.031 -14.014 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.150 -12.137 -14.254 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.303 -12.601 -11.425 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.831 -14.005 -12.331 1.00 0.56 H new ATOM 105 N VAL A 8 133.976 -9.020 -13.752 1.00 0.34 N ATOM 106 CA VAL A 8 134.892 -7.940 -13.380 1.00 0.36 C ATOM 107 C VAL A 8 134.116 -6.699 -12.927 1.00 0.28 C ATOM 108 O VAL A 8 134.616 -5.902 -12.131 1.00 0.39 O ATOM 109 CB VAL A 8 135.860 -7.569 -14.531 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.120 -6.950 -15.709 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.953 -6.634 -14.029 1.00 0.77 C ATOM 0 H VAL A 8 133.695 -9.020 -14.733 1.00 0.34 H new ATOM 0 HA VAL A 8 135.493 -8.309 -12.549 1.00 0.36 H new ATOM 0 HB VAL A 8 136.324 -8.490 -14.884 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.832 -6.703 -16.497 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.387 -7.660 -16.092 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.611 -6.043 -15.383 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.624 -6.384 -14.851 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.501 -5.722 -13.639 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.517 -7.126 -13.237 1.00 0.77 H new ATOM 121 N LEU A 9 132.884 -6.554 -13.431 1.00 0.36 N ATOM 122 CA LEU A 9 132.030 -5.425 -13.069 1.00 0.49 C ATOM 123 C LEU A 9 131.797 -5.404 -11.558 1.00 0.53 C ATOM 124 O LEU A 9 132.135 -4.428 -10.886 1.00 0.73 O ATOM 125 CB LEU A 9 130.693 -5.502 -13.817 1.00 0.66 C ATOM 126 CG LEU A 9 130.714 -4.931 -15.239 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.549 -5.474 -16.053 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.677 -3.409 -15.205 1.00 0.72 C ATOM 0 H LEU A 9 132.460 -7.207 -14.090 1.00 0.36 H new ATOM 0 HA LEU A 9 132.532 -4.501 -13.358 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.380 -6.545 -13.865 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.939 -4.969 -13.238 1.00 0.66 H new ATOM 0 HG LEU A 9 131.642 -5.243 -15.718 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.582 -5.056 -17.059 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.619 -6.560 -16.109 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.610 -5.195 -15.575 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.693 -3.022 -16.224 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.767 -3.078 -14.705 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.545 -3.036 -14.662 1.00 0.72 H new ATOM 140 N GLN A 10 131.220 -6.490 -11.034 1.00 0.42 N ATOM 141 CA GLN A 10 130.942 -6.611 -9.600 1.00 0.49 C ATOM 142 C GLN A 10 132.192 -6.333 -8.759 1.00 0.43 C ATOM 143 O GLN A 10 132.096 -5.766 -7.670 1.00 0.50 O ATOM 144 CB GLN A 10 130.408 -8.011 -9.276 1.00 0.60 C ATOM 145 CG GLN A 10 128.941 -8.205 -9.628 1.00 0.69 C ATOM 146 CD GLN A 10 128.034 -8.141 -8.411 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.543 -7.072 -8.047 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.810 -9.286 -7.773 1.00 0.84 N ATOM 0 H GLN A 10 130.936 -7.300 -11.584 1.00 0.42 H new ATOM 0 HA GLN A 10 130.187 -5.865 -9.350 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.002 -8.750 -9.814 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.546 -8.205 -8.212 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.638 -7.439 -10.342 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.814 -9.169 -10.121 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.237 -10.149 -8.109 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.211 -9.301 -6.948 1.00 0.84 H new ATOM 157 N GLU A 11 133.360 -6.744 -9.265 1.00 0.41 N ATOM 158 CA GLU A 11 134.624 -6.545 -8.549 1.00 0.44 C ATOM 159 C GLU A 11 134.890 -5.072 -8.241 1.00 0.40 C ATOM 160 O GLU A 11 135.586 -4.763 -7.274 1.00 0.56 O ATOM 161 CB GLU A 11 135.801 -7.112 -9.349 1.00 0.52 C ATOM 162 CG GLU A 11 135.679 -8.595 -9.651 1.00 0.63 C ATOM 163 CD GLU A 11 137.023 -9.293 -9.727 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.598 -9.593 -8.659 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.499 -9.544 -10.854 1.00 1.64 O ATOM 0 H GLU A 11 133.456 -7.215 -10.165 1.00 0.41 H new ATOM 0 HA GLU A 11 134.530 -7.080 -7.604 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.887 -6.565 -10.288 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.723 -6.938 -8.794 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.072 -9.069 -8.880 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.153 -8.726 -10.597 1.00 0.63 H new ATOM 172 N LEU A 12 134.346 -4.157 -9.053 1.00 0.34 N ATOM 173 CA LEU A 12 134.561 -2.731 -8.821 1.00 0.34 C ATOM 174 C LEU A 12 133.867 -2.284 -7.535 1.00 0.31 C ATOM 175 O LEU A 12 134.540 -1.992 -6.545 1.00 0.39 O ATOM 176 CB LEU A 12 134.059 -1.915 -10.022 1.00 0.36 C ATOM 177 CG LEU A 12 135.019 -0.835 -10.535 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.988 0.382 -9.624 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.436 -1.382 -10.655 1.00 0.59 C ATOM 0 H LEU A 12 133.764 -4.377 -9.862 1.00 0.34 H new ATOM 0 HA LEU A 12 135.631 -2.555 -8.707 1.00 0.34 H new ATOM 0 HB2 LEU A 12 133.842 -2.602 -10.840 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.118 -1.439 -9.747 1.00 0.36 H new ATOM 0 HG LEU A 12 134.690 -0.530 -11.528 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.675 1.138 -10.003 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.978 0.791 -9.597 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.289 0.091 -8.618 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.099 -0.598 -11.021 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.779 -1.721 -9.677 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.445 -2.219 -11.353 1.00 0.59 H new ATOM 191 N VAL A 13 132.528 -2.210 -7.551 1.00 0.26 N ATOM 192 CA VAL A 13 131.756 -1.778 -6.380 1.00 0.26 C ATOM 193 C VAL A 13 132.282 -2.383 -5.076 1.00 0.22 C ATOM 194 O VAL A 13 132.352 -1.691 -4.060 1.00 0.24 O ATOM 195 CB VAL A 13 130.254 -2.120 -6.533 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.043 -3.624 -6.645 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.449 -1.544 -5.373 1.00 0.53 C ATOM 0 H VAL A 13 131.958 -2.444 -8.364 1.00 0.26 H new ATOM 0 HA VAL A 13 131.876 -0.696 -6.327 1.00 0.26 H new ATOM 0 HB VAL A 13 129.897 -1.663 -7.456 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.979 -3.835 -6.751 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.577 -4.002 -7.517 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.422 -4.112 -5.747 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.396 -1.796 -5.500 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.812 -1.964 -4.435 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.563 -0.460 -5.354 1.00 0.53 H new ATOM 207 N LYS A 14 132.661 -3.665 -5.107 1.00 0.24 N ATOM 208 CA LYS A 14 133.189 -4.333 -3.918 1.00 0.23 C ATOM 209 C LYS A 14 134.405 -3.580 -3.382 1.00 0.21 C ATOM 210 O LYS A 14 134.428 -3.159 -2.225 1.00 0.28 O ATOM 211 CB LYS A 14 133.568 -5.783 -4.241 1.00 0.30 C ATOM 212 CG LYS A 14 132.392 -6.745 -4.198 1.00 0.84 C ATOM 213 CD LYS A 14 132.853 -8.190 -4.306 1.00 0.68 C ATOM 214 CE LYS A 14 133.158 -8.785 -2.939 1.00 0.73 C ATOM 215 NZ LYS A 14 132.910 -10.254 -2.900 1.00 0.75 N ATOM 0 H LYS A 14 132.612 -4.255 -5.937 1.00 0.24 H new ATOM 0 HA LYS A 14 132.413 -4.338 -3.153 1.00 0.23 H new ATOM 0 HB2 LYS A 14 134.020 -5.819 -5.232 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.326 -6.118 -3.533 1.00 0.30 H new ATOM 0 HG2 LYS A 14 131.840 -6.606 -3.268 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.705 -6.519 -5.013 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.081 -8.783 -4.797 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.743 -8.243 -4.933 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.198 -8.586 -2.681 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.543 -8.294 -2.185 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.130 -10.618 -1.951 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.911 -10.443 -3.120 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.515 -10.727 -3.601 1.00 0.75 H new ATOM 229 N HIS A 15 135.421 -3.434 -4.230 1.00 0.25 N ATOM 230 CA HIS A 15 136.656 -2.750 -3.855 1.00 0.27 C ATOM 231 C HIS A 15 136.398 -1.411 -3.165 1.00 0.23 C ATOM 232 O HIS A 15 137.057 -1.098 -2.172 1.00 0.43 O ATOM 233 CB HIS A 15 137.542 -2.542 -5.085 1.00 0.33 C ATOM 234 CG HIS A 15 138.285 -3.777 -5.486 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.601 -3.772 -5.897 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.884 -5.068 -5.528 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.976 -5.008 -6.175 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.953 -5.812 -5.959 1.00 0.72 N ATOM 0 H HIS A 15 135.412 -3.783 -5.188 1.00 0.25 H new ATOM 0 HA HIS A 15 137.169 -3.391 -3.137 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.924 -2.210 -5.919 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.257 -1.745 -4.880 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.905 -5.443 -5.270 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.954 -5.309 -6.520 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.956 -6.823 -6.091 1.00 0.72 H new ATOM 247 N LYS A 16 135.464 -0.603 -3.685 1.00 0.21 N ATOM 248 CA LYS A 16 135.175 0.708 -3.094 1.00 0.25 C ATOM 249 C LYS A 16 134.349 0.603 -1.813 1.00 0.32 C ATOM 250 O LYS A 16 134.639 1.295 -0.837 1.00 0.62 O ATOM 251 CB LYS A 16 134.430 1.593 -4.098 1.00 0.37 C ATOM 252 CG LYS A 16 135.148 1.761 -5.428 1.00 0.50 C ATOM 253 CD LYS A 16 134.162 1.887 -6.580 1.00 0.57 C ATOM 254 CE LYS A 16 133.635 3.308 -6.716 1.00 0.59 C ATOM 255 NZ LYS A 16 132.146 3.354 -6.727 1.00 0.66 N ATOM 0 H LYS A 16 134.902 -0.832 -4.505 1.00 0.21 H new ATOM 0 HA LYS A 16 136.137 1.154 -2.839 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.444 1.166 -4.281 1.00 0.37 H new ATOM 0 HB3 LYS A 16 134.274 2.576 -3.654 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.782 2.647 -5.391 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.803 0.907 -5.600 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.648 1.588 -7.509 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.328 1.203 -6.422 1.00 0.57 H new ATOM 0 HE2 LYS A 16 134.010 3.914 -5.891 1.00 0.59 H new ATOM 0 HE3 LYS A 16 134.018 3.750 -7.636 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.830 4.340 -6.821 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.787 2.797 -7.529 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.780 2.956 -5.838 1.00 0.66 H new ATOM 269 N GLU A 17 133.316 -0.251 -1.812 1.00 0.32 N ATOM 270 CA GLU A 17 132.471 -0.409 -0.625 1.00 0.39 C ATOM 271 C GLU A 17 133.313 -0.826 0.581 1.00 0.32 C ATOM 272 O GLU A 17 133.018 -0.441 1.713 1.00 0.40 O ATOM 273 CB GLU A 17 131.332 -1.409 -0.867 1.00 0.51 C ATOM 274 CG GLU A 17 131.792 -2.821 -1.184 1.00 0.80 C ATOM 275 CD GLU A 17 130.637 -3.770 -1.438 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.104 -3.767 -2.569 1.00 1.43 O ATOM 277 OE2 GLU A 17 130.267 -4.518 -0.508 1.00 1.47 O ATOM 0 H GLU A 17 133.050 -0.833 -2.606 1.00 0.32 H new ATOM 0 HA GLU A 17 132.015 0.558 -0.413 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.696 -1.437 0.018 1.00 0.51 H new ATOM 0 HB3 GLU A 17 130.716 -1.047 -1.691 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.439 -2.800 -2.061 1.00 0.80 H new ATOM 0 HG3 GLU A 17 132.391 -3.198 -0.355 1.00 0.80 H new ATOM 284 N LEU A 18 134.380 -1.591 0.328 1.00 0.32 N ATOM 285 CA LEU A 18 135.281 -2.030 1.390 1.00 0.34 C ATOM 286 C LEU A 18 136.058 -0.839 1.960 1.00 0.33 C ATOM 287 O LEU A 18 136.418 -0.835 3.136 1.00 0.66 O ATOM 288 CB LEU A 18 136.249 -3.095 0.866 1.00 0.53 C ATOM 289 CG LEU A 18 135.635 -4.484 0.663 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.625 -5.412 -0.024 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.186 -5.071 1.995 1.00 0.79 C ATOM 0 H LEU A 18 134.638 -1.917 -0.603 1.00 0.32 H new ATOM 0 HA LEU A 18 134.683 -2.468 2.189 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.661 -2.754 -0.084 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.083 -3.181 1.563 1.00 0.53 H new ATOM 0 HG LEU A 18 134.760 -4.381 0.021 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.170 -6.393 -0.159 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.895 -5.000 -0.996 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.520 -5.508 0.591 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.753 -6.057 1.830 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.044 -5.158 2.662 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.440 -4.418 2.447 1.00 0.79 H new ATOM 303 N LEU A 19 136.292 0.179 1.120 1.00 0.43 N ATOM 304 CA LEU A 19 137.002 1.390 1.541 1.00 0.44 C ATOM 305 C LEU A 19 136.048 2.348 2.260 1.00 0.30 C ATOM 306 O LEU A 19 136.447 3.052 3.191 1.00 0.45 O ATOM 307 CB LEU A 19 137.628 2.095 0.332 1.00 0.57 C ATOM 308 CG LEU A 19 138.880 1.423 -0.242 1.00 0.76 C ATOM 309 CD1 LEU A 19 138.858 1.463 -1.763 1.00 0.88 C ATOM 310 CD2 LEU A 19 140.137 2.095 0.293 1.00 0.94 C ATOM 0 H LEU A 19 135.998 0.185 0.143 1.00 0.43 H new ATOM 0 HA LEU A 19 137.795 1.096 2.229 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.878 2.163 -0.456 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.882 3.115 0.619 1.00 0.57 H new ATOM 0 HG LEU A 19 138.887 0.380 0.073 1.00 0.76 H new ATOM 0 HD11 LEU A 19 139.755 0.981 -2.153 1.00 0.88 H new ATOM 0 HD12 LEU A 19 137.976 0.937 -2.128 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.828 2.499 -2.099 1.00 0.88 H new ATOM 0 HD21 LEU A 19 141.017 1.606 -0.124 1.00 0.94 H new ATOM 0 HD22 LEU A 19 140.137 3.147 0.007 1.00 0.94 H new ATOM 0 HD23 LEU A 19 140.158 2.014 1.380 1.00 0.94 H new ATOM 322 N ARG A 20 134.780 2.350 1.832 1.00 0.32 N ATOM 323 CA ARG A 20 133.760 3.199 2.445 1.00 0.50 C ATOM 324 C ARG A 20 133.465 2.702 3.856 1.00 0.40 C ATOM 325 O ARG A 20 133.656 3.429 4.832 1.00 0.47 O ATOM 326 CB ARG A 20 132.479 3.205 1.600 1.00 0.78 C ATOM 327 CG ARG A 20 132.636 3.908 0.259 1.00 0.89 C ATOM 328 CD ARG A 20 131.327 4.530 -0.208 1.00 0.98 C ATOM 329 NE ARG A 20 131.206 5.932 0.197 1.00 1.06 N ATOM 330 CZ ARG A 20 130.373 6.808 -0.374 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.581 6.436 -1.377 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.332 8.063 0.063 1.00 1.60 N ATOM 0 H ARG A 20 134.439 1.772 1.064 1.00 0.32 H new ATOM 0 HA ARG A 20 134.134 4.221 2.495 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.164 2.176 1.427 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.684 3.691 2.165 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.398 4.683 0.342 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.986 3.195 -0.487 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.260 4.460 -1.294 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.491 3.962 0.200 1.00 0.98 H new ATOM 0 HE ARG A 20 131.794 6.261 0.963 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.606 5.475 -1.717 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.949 7.112 -1.806 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.935 8.355 0.832 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.697 8.734 -0.371 1.00 1.60 H new ATOM 346 N ARG A 21 133.007 1.451 3.950 1.00 0.36 N ATOM 347 CA ARG A 21 132.695 0.832 5.237 1.00 0.37 C ATOM 348 C ARG A 21 133.864 0.984 6.213 1.00 0.35 C ATOM 349 O ARG A 21 133.664 1.339 7.374 1.00 0.49 O ATOM 350 CB ARG A 21 132.363 -0.649 5.043 1.00 0.47 C ATOM 351 CG ARG A 21 131.567 -1.253 6.188 1.00 0.71 C ATOM 352 CD ARG A 21 131.379 -2.749 6.002 1.00 0.94 C ATOM 353 NE ARG A 21 130.785 -3.381 7.180 1.00 0.95 N ATOM 354 CZ ARG A 21 130.940 -4.669 7.498 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.662 -5.476 6.723 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.367 -5.154 8.595 1.00 1.50 N ATOM 0 H ARG A 21 132.844 0.846 3.145 1.00 0.36 H new ATOM 0 HA ARG A 21 131.828 1.340 5.659 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.799 -0.767 4.118 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.291 -1.208 4.924 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.081 -1.063 7.130 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.593 -0.767 6.253 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.743 -2.929 5.135 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.343 -3.211 5.791 1.00 0.94 H new ATOM 0 HE ARG A 21 130.217 -2.801 7.798 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.103 -5.112 5.878 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.775 -6.458 6.974 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.810 -4.543 9.192 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.484 -6.137 8.839 1.00 1.50 H new ATOM 370 N LYS A 22 135.083 0.709 5.731 1.00 0.33 N ATOM 371 CA LYS A 22 136.290 0.814 6.557 1.00 0.41 C ATOM 372 C LYS A 22 136.404 2.189 7.222 1.00 0.34 C ATOM 373 O LYS A 22 136.888 2.296 8.350 1.00 0.36 O ATOM 374 CB LYS A 22 137.540 0.541 5.713 1.00 0.56 C ATOM 375 CG LYS A 22 138.675 -0.106 6.489 1.00 0.77 C ATOM 376 CD LYS A 22 139.838 -0.472 5.579 1.00 0.95 C ATOM 377 CE LYS A 22 140.834 0.672 5.459 1.00 0.76 C ATOM 378 NZ LYS A 22 142.243 0.197 5.553 1.00 0.71 N ATOM 0 H LYS A 22 135.258 0.412 4.771 1.00 0.33 H new ATOM 0 HA LYS A 22 136.213 0.064 7.344 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.269 -0.105 4.878 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.892 1.481 5.288 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.021 0.576 7.266 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.309 -1.002 6.991 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.343 -1.356 5.970 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.460 -0.732 4.590 1.00 0.95 H new ATOM 0 HE2 LYS A 22 140.686 1.183 4.508 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.644 1.402 6.246 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.889 1.007 5.467 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.392 -0.268 6.471 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.433 -0.480 4.787 1.00 0.71 H new ATOM 392 N ASP A 23 135.941 3.236 6.530 1.00 0.34 N ATOM 393 CA ASP A 23 135.980 4.593 7.072 1.00 0.32 C ATOM 394 C ASP A 23 134.835 4.803 8.060 1.00 0.29 C ATOM 395 O ASP A 23 135.015 5.421 9.109 1.00 0.34 O ATOM 396 CB ASP A 23 135.897 5.629 5.948 1.00 0.37 C ATOM 397 CG ASP A 23 136.928 6.731 6.101 1.00 0.78 C ATOM 398 OD1 ASP A 23 136.719 7.627 6.947 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.946 6.697 5.378 1.00 1.17 O ATOM 0 H ASP A 23 135.536 3.167 5.596 1.00 0.34 H new ATOM 0 HA ASP A 23 136.928 4.723 7.594 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.040 5.132 4.988 1.00 0.37 H new ATOM 0 HB3 ASP A 23 134.899 6.068 5.935 1.00 0.37 H new ATOM 404 N THR A 24 133.660 4.269 7.720 1.00 0.27 N ATOM 405 CA THR A 24 132.483 4.375 8.579 1.00 0.28 C ATOM 406 C THR A 24 132.691 3.602 9.884 1.00 0.27 C ATOM 407 O THR A 24 132.077 3.921 10.901 1.00 0.32 O ATOM 408 CB THR A 24 131.244 3.852 7.845 1.00 0.31 C ATOM 409 OG1 THR A 24 131.092 4.502 6.595 1.00 0.52 O ATOM 410 CG2 THR A 24 129.957 4.046 8.620 1.00 0.53 C ATOM 0 H THR A 24 133.500 3.757 6.852 1.00 0.27 H new ATOM 0 HA THR A 24 132.331 5.426 8.825 1.00 0.28 H new ATOM 0 HB THR A 24 131.415 2.783 7.720 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.297 4.154 6.140 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.121 3.653 8.041 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.021 3.516 9.570 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.801 5.109 8.807 1.00 0.53 H new ATOM 418 N HIS A 25 133.573 2.596 9.847 1.00 0.27 N ATOM 419 CA HIS A 25 133.872 1.792 11.031 1.00 0.31 C ATOM 420 C HIS A 25 134.745 2.583 12.001 1.00 0.33 C ATOM 421 O HIS A 25 134.470 2.618 13.198 1.00 0.43 O ATOM 422 CB HIS A 25 134.556 0.477 10.647 1.00 0.37 C ATOM 423 CG HIS A 25 134.175 -0.670 11.533 1.00 0.38 C ATOM 424 ND1 HIS A 25 132.868 -0.962 11.865 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.936 -1.599 12.159 1.00 0.92 C ATOM 426 CE1 HIS A 25 132.843 -2.019 12.656 1.00 0.79 C ATOM 427 NE2 HIS A 25 134.084 -2.426 12.849 1.00 0.75 N ATOM 0 H HIS A 25 134.089 2.322 9.011 1.00 0.27 H new ATOM 0 HA HIS A 25 132.930 1.550 11.523 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.302 0.231 9.616 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.637 0.613 10.685 1.00 0.37 H new ATOM 0 HD2 HIS A 25 136.013 -1.675 12.122 1.00 0.92 H new ATOM 0 HE1 HIS A 25 131.957 -2.474 13.074 1.00 0.79 H new ATOM 0 HE2 HIS A 25 134.364 -3.225 13.418 1.00 0.75 H new ATOM 436 N ILE A 26 135.776 3.249 11.478 1.00 0.31 N ATOM 437 CA ILE A 26 136.642 4.073 12.319 1.00 0.35 C ATOM 438 C ILE A 26 135.876 5.322 12.772 1.00 0.34 C ATOM 439 O ILE A 26 136.158 5.892 13.826 1.00 0.46 O ATOM 440 CB ILE A 26 137.946 4.492 11.596 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.636 5.267 10.311 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.799 3.268 11.290 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.836 5.985 9.728 1.00 0.68 C ATOM 0 H ILE A 26 136.029 3.234 10.490 1.00 0.31 H new ATOM 0 HA ILE A 26 136.931 3.471 13.181 1.00 0.35 H new ATOM 0 HB ILE A 26 138.507 5.150 12.259 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.241 4.576 9.567 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.852 5.996 10.517 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.712 3.579 10.782 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.056 2.762 12.220 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.241 2.587 10.648 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.540 6.511 8.821 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.219 6.702 10.454 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.614 5.259 9.489 1.00 0.68 H new ATOM 455 N ARG A 27 134.881 5.713 11.964 1.00 0.29 N ATOM 456 CA ARG A 27 134.036 6.863 12.263 1.00 0.35 C ATOM 457 C ARG A 27 133.059 6.526 13.391 1.00 0.34 C ATOM 458 O ARG A 27 132.903 7.302 14.336 1.00 0.39 O ATOM 459 CB ARG A 27 133.264 7.304 11.015 1.00 0.44 C ATOM 460 CG ARG A 27 132.662 8.696 11.128 1.00 0.52 C ATOM 461 CD ARG A 27 131.143 8.644 11.163 1.00 0.81 C ATOM 462 NE ARG A 27 130.545 9.977 11.228 1.00 0.91 N ATOM 463 CZ ARG A 27 130.386 10.781 10.172 1.00 0.92 C ATOM 464 NH1 ARG A 27 130.795 10.404 8.962 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.816 11.971 10.329 1.00 1.68 N ATOM 0 H ARG A 27 134.645 5.240 11.091 1.00 0.29 H new ATOM 0 HA ARG A 27 134.677 7.684 12.584 1.00 0.35 H new ATOM 0 HB2 ARG A 27 133.934 7.276 10.156 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.466 6.587 10.820 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.032 9.181 12.031 1.00 0.52 H new ATOM 0 HG3 ARG A 27 132.987 9.304 10.284 1.00 0.52 H new ATOM 0 HD2 ARG A 27 130.779 8.127 10.275 1.00 0.81 H new ATOM 0 HD3 ARG A 27 130.821 8.061 12.026 1.00 0.81 H new ATOM 0 HE ARG A 27 130.229 10.315 12.137 1.00 0.91 H new ATOM 0 HH11 ARG A 27 131.235 9.493 8.833 1.00 1.19 H new ATOM 0 HH12 ARG A 27 130.668 11.026 8.164 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.502 12.268 11.253 1.00 1.68 H new ATOM 0 HH22 ARG A 27 129.693 12.587 9.526 1.00 1.68 H new ATOM 479 N GLU A 28 132.412 5.357 13.293 1.00 0.33 N ATOM 480 CA GLU A 28 131.462 4.921 14.317 1.00 0.38 C ATOM 481 C GLU A 28 132.188 4.563 15.612 1.00 0.37 C ATOM 482 O GLU A 28 131.713 4.885 16.703 1.00 0.47 O ATOM 483 CB GLU A 28 130.607 3.737 13.832 1.00 0.48 C ATOM 484 CG GLU A 28 131.404 2.548 13.317 1.00 0.81 C ATOM 485 CD GLU A 28 131.407 1.376 14.280 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.359 0.708 14.408 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.459 1.122 14.903 1.00 1.85 O ATOM 0 H GLU A 28 132.530 4.702 12.520 1.00 0.33 H new ATOM 0 HA GLU A 28 130.789 5.756 14.514 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.973 3.404 14.653 1.00 0.48 H new ATOM 0 HB3 GLU A 28 129.945 4.085 13.039 1.00 0.48 H new ATOM 0 HG2 GLU A 28 130.989 2.226 12.362 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.431 2.860 13.129 1.00 0.81 H new ATOM 494 N LEU A 29 133.346 3.905 15.491 1.00 0.34 N ATOM 495 CA LEU A 29 134.137 3.516 16.659 1.00 0.38 C ATOM 496 C LEU A 29 134.666 4.745 17.404 1.00 0.42 C ATOM 497 O LEU A 29 134.900 4.686 18.612 1.00 0.80 O ATOM 498 CB LEU A 29 135.306 2.614 16.245 1.00 0.48 C ATOM 499 CG LEU A 29 135.558 1.413 17.162 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.011 0.136 16.538 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.045 1.269 17.462 1.00 0.58 C ATOM 0 H LEU A 29 133.754 3.632 14.597 1.00 0.34 H new ATOM 0 HA LEU A 29 133.482 2.961 17.331 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.122 2.248 15.235 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.213 3.217 16.205 1.00 0.48 H new ATOM 0 HG LEU A 29 135.034 1.586 18.102 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.200 -0.705 17.205 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.938 0.239 16.380 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.503 -0.042 15.582 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.203 0.410 18.115 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.592 1.122 16.530 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.406 2.171 17.956 1.00 0.58 H new ATOM 513 N GLU A 30 134.844 5.858 16.683 1.00 0.42 N ATOM 514 CA GLU A 30 135.335 7.095 17.290 1.00 0.46 C ATOM 515 C GLU A 30 134.306 7.666 18.269 1.00 0.46 C ATOM 516 O GLU A 30 134.669 8.325 19.245 1.00 0.61 O ATOM 517 CB GLU A 30 135.673 8.127 16.210 1.00 0.51 C ATOM 518 CG GLU A 30 137.139 8.115 15.797 1.00 0.57 C ATOM 519 CD GLU A 30 138.072 8.486 16.936 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.238 9.696 17.199 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.637 7.566 17.565 1.00 1.33 O ATOM 0 H GLU A 30 134.656 5.925 15.683 1.00 0.42 H new ATOM 0 HA GLU A 30 136.244 6.863 17.845 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.055 7.939 15.332 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.414 9.121 16.575 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.400 7.123 15.427 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.285 8.812 14.971 1.00 0.57 H new ATOM 528 N ASP A 31 133.024 7.383 18.017 1.00 0.43 N ATOM 529 CA ASP A 31 131.946 7.842 18.892 1.00 0.58 C ATOM 530 C ASP A 31 131.922 7.013 20.175 1.00 0.59 C ATOM 531 O ASP A 31 131.693 7.543 21.264 1.00 0.78 O ATOM 532 CB ASP A 31 130.594 7.748 18.178 1.00 0.71 C ATOM 533 CG ASP A 31 130.386 8.873 17.182 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.837 8.733 16.026 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.773 9.894 17.560 1.00 1.65 O ATOM 0 H ASP A 31 132.710 6.838 17.214 1.00 0.43 H new ATOM 0 HA ASP A 31 132.129 8.886 19.147 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.525 6.791 17.661 1.00 0.71 H new ATOM 0 HB3 ASP A 31 129.794 7.769 18.918 1.00 0.71 H new ATOM 540 N TYR A 32 132.181 5.709 20.034 1.00 0.51 N ATOM 541 CA TYR A 32 132.214 4.794 21.174 1.00 0.56 C ATOM 542 C TYR A 32 133.389 5.126 22.095 1.00 0.55 C ATOM 543 O TYR A 32 133.267 5.063 23.319 1.00 0.64 O ATOM 544 CB TYR A 32 132.339 3.344 20.690 1.00 0.61 C ATOM 545 CG TYR A 32 131.035 2.724 20.233 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.293 3.291 19.203 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.551 1.564 20.827 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.107 2.722 18.781 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.368 0.988 20.408 1.00 1.19 C ATOM 550 CZ TYR A 32 128.649 1.570 19.386 1.00 1.23 C ATOM 551 OH TYR A 32 127.470 0.998 18.965 1.00 1.55 O ATOM 0 H TYR A 32 132.371 5.264 19.136 1.00 0.51 H new ATOM 0 HA TYR A 32 131.283 4.909 21.729 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.053 3.308 19.867 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.752 2.739 21.497 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.650 4.191 18.725 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.110 1.106 21.630 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.541 3.177 17.981 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.008 0.085 20.879 1.00 1.19 H new ATOM 0 HH TYR A 32 127.290 0.192 19.493 1.00 1.55 H new ATOM 561 N ILE A 33 134.528 5.478 21.489 1.00 0.53 N ATOM 562 CA ILE A 33 135.733 5.820 22.241 1.00 0.62 C ATOM 563 C ILE A 33 135.606 7.181 22.931 1.00 0.58 C ATOM 564 O ILE A 33 136.267 7.426 23.942 1.00 0.77 O ATOM 565 CB ILE A 33 136.985 5.832 21.329 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.193 4.458 20.682 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.224 6.238 22.119 1.00 0.94 C ATOM 568 CD1 ILE A 33 137.964 4.512 19.380 1.00 0.85 C ATOM 0 H ILE A 33 134.637 5.533 20.476 1.00 0.53 H new ATOM 0 HA ILE A 33 135.849 5.048 23.002 1.00 0.62 H new ATOM 0 HB ILE A 33 136.824 6.567 20.540 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.723 3.812 21.382 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.221 4.000 20.500 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.092 6.240 21.459 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.081 7.236 22.533 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.387 5.529 22.930 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.073 3.504 18.980 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.424 5.131 18.663 1.00 0.85 H new ATOM 0 HD13 ILE A 33 138.950 4.940 19.559 1.00 0.85 H new ATOM 580 N ASP A 34 134.764 8.069 22.389 1.00 0.49 N ATOM 581 CA ASP A 34 134.575 9.400 22.967 1.00 0.54 C ATOM 582 C ASP A 34 134.058 9.336 24.404 1.00 0.44 C ATOM 583 O ASP A 34 134.379 10.200 25.207 1.00 0.47 O ATOM 584 CB ASP A 34 133.614 10.223 22.103 1.00 0.75 C ATOM 585 CG ASP A 34 134.313 11.361 21.385 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.606 12.385 22.038 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.571 11.227 20.170 1.00 1.49 O ATOM 0 H ASP A 34 134.206 7.889 21.554 1.00 0.49 H new ATOM 0 HA ASP A 34 135.552 9.884 22.989 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.140 9.571 21.369 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.820 10.627 22.731 1.00 0.75 H new ATOM 592 N ASN A 35 133.250 8.317 24.717 1.00 0.53 N ATOM 593 CA ASN A 35 132.683 8.144 26.061 1.00 0.57 C ATOM 594 C ASN A 35 133.692 8.515 27.152 1.00 0.47 C ATOM 595 O ASN A 35 133.342 9.187 28.123 1.00 0.58 O ATOM 596 CB ASN A 35 132.212 6.699 26.258 1.00 0.74 C ATOM 597 CG ASN A 35 130.793 6.479 25.766 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.829 6.693 26.502 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.655 6.051 24.514 1.00 1.32 N ATOM 0 H ASN A 35 132.972 7.594 24.053 1.00 0.53 H new ATOM 0 HA ASN A 35 131.831 8.818 26.147 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.885 6.025 25.728 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.271 6.442 27.316 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.724 5.888 24.130 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.480 5.886 23.938 1.00 1.32 H new ATOM 606 N LEU A 36 134.946 8.090 26.974 1.00 0.42 N ATOM 607 CA LEU A 36 136.006 8.397 27.935 1.00 0.47 C ATOM 608 C LEU A 36 136.253 9.905 27.986 1.00 0.42 C ATOM 609 O LEU A 36 136.294 10.501 29.063 1.00 0.53 O ATOM 610 CB LEU A 36 137.305 7.669 27.566 1.00 0.66 C ATOM 611 CG LEU A 36 137.148 6.197 27.165 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.471 5.640 26.660 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.630 5.373 28.336 1.00 1.66 C ATOM 0 H LEU A 36 135.250 7.534 26.175 1.00 0.42 H new ATOM 0 HA LEU A 36 135.683 8.053 28.918 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.778 8.203 26.742 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.986 7.725 28.415 1.00 0.66 H new ATOM 0 HG LEU A 36 136.418 6.136 26.358 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.342 4.595 26.380 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.798 6.211 25.791 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.221 5.715 27.447 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.526 4.332 28.030 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.333 5.439 29.166 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.660 5.758 28.651 1.00 1.66 H new ATOM 625 N LEU A 37 136.401 10.512 26.806 1.00 0.36 N ATOM 626 CA LEU A 37 136.626 11.949 26.691 1.00 0.40 C ATOM 627 C LEU A 37 135.447 12.625 25.979 1.00 0.32 C ATOM 628 O LEU A 37 135.608 13.242 24.923 1.00 0.42 O ATOM 629 CB LEU A 37 137.937 12.228 25.946 1.00 0.56 C ATOM 630 CG LEU A 37 138.073 11.541 24.583 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.627 12.510 23.548 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.958 10.307 24.692 1.00 0.63 C ATOM 0 H LEU A 37 136.368 10.023 25.912 1.00 0.36 H new ATOM 0 HA LEU A 37 136.704 12.367 27.695 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.033 13.304 25.803 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.769 11.915 26.577 1.00 0.56 H new ATOM 0 HG LEU A 37 137.082 11.224 24.258 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.716 12.004 22.587 1.00 0.73 H new ATOM 0 HD12 LEU A 37 137.953 13.361 23.449 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.609 12.860 23.866 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.043 9.833 23.714 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.949 10.599 25.041 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.517 9.604 25.399 1.00 0.63 H new ATOM 644 N VAL A 38 134.260 12.485 26.581 1.00 0.29 N ATOM 645 CA VAL A 38 133.021 13.066 26.057 1.00 0.41 C ATOM 646 C VAL A 38 131.897 12.894 27.083 1.00 0.38 C ATOM 647 O VAL A 38 131.986 12.031 27.960 1.00 0.61 O ATOM 648 CB VAL A 38 132.599 12.430 24.705 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.589 11.304 24.907 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.034 13.492 23.770 1.00 0.99 C ATOM 0 H VAL A 38 134.133 11.963 27.448 1.00 0.29 H new ATOM 0 HA VAL A 38 133.206 14.125 25.876 1.00 0.41 H new ATOM 0 HB VAL A 38 133.490 11.998 24.249 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.316 10.882 23.940 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.031 10.527 25.530 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.698 11.698 25.395 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.743 13.029 22.827 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.162 13.956 24.231 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.792 14.252 23.582 1.00 0.99 H new ATOM 660 N ARG A 39 130.846 13.709 26.978 1.00 0.44 N ATOM 661 CA ARG A 39 129.718 13.630 27.907 1.00 0.47 C ATOM 662 C ARG A 39 129.178 12.203 28.011 1.00 0.53 C ATOM 663 O ARG A 39 128.855 11.577 26.999 1.00 0.86 O ATOM 664 CB ARG A 39 128.599 14.576 27.461 1.00 0.59 C ATOM 665 CG ARG A 39 127.427 14.642 28.429 1.00 0.75 C ATOM 666 CD ARG A 39 126.731 15.993 28.370 1.00 0.97 C ATOM 667 NE ARG A 39 127.464 17.019 29.115 1.00 0.93 N ATOM 668 CZ ARG A 39 127.593 18.289 28.720 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.033 18.711 27.588 1.00 1.27 N ATOM 670 NH2 ARG A 39 128.286 19.145 29.466 1.00 1.48 N ATOM 0 H ARG A 39 130.753 14.429 26.261 1.00 0.44 H new ATOM 0 HA ARG A 39 130.077 13.930 28.891 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.011 15.577 27.336 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.234 14.257 26.485 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.713 13.853 28.192 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.781 14.458 29.443 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.629 16.303 27.330 1.00 0.97 H new ATOM 0 HD3 ARG A 39 125.724 15.900 28.776 1.00 0.97 H new ATOM 0 HE ARG A 39 127.905 16.746 29.993 1.00 0.93 H new ATOM 0 HH11 ARG A 39 126.498 18.062 27.011 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.139 19.683 27.298 1.00 1.27 H new ATOM 0 HH21 ARG A 39 128.716 18.831 30.336 1.00 1.48 H new ATOM 0 HH22 ARG A 39 128.387 20.115 29.168 1.00 1.48 H new ATOM 684 N VAL A 40 129.076 11.700 29.241 1.00 0.46 N ATOM 685 CA VAL A 40 128.567 10.350 29.481 1.00 0.53 C ATOM 686 C VAL A 40 127.142 10.390 30.030 1.00 0.53 C ATOM 687 O VAL A 40 126.762 11.327 30.736 1.00 0.66 O ATOM 688 CB VAL A 40 129.466 9.556 30.457 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.787 9.193 29.793 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.704 10.336 31.744 1.00 0.78 C ATOM 0 H VAL A 40 129.339 12.207 30.086 1.00 0.46 H new ATOM 0 HA VAL A 40 128.571 9.842 28.517 1.00 0.53 H new ATOM 0 HB VAL A 40 128.947 8.634 30.718 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.406 8.635 30.495 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.595 8.580 28.912 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.307 10.104 29.496 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.339 9.753 32.411 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.194 11.282 31.511 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.749 10.532 32.232 1.00 0.78 H new ATOM 700 N MET A 41 126.357 9.365 29.697 1.00 0.53 N ATOM 701 CA MET A 41 124.971 9.276 30.151 1.00 0.60 C ATOM 702 C MET A 41 124.680 7.900 30.744 1.00 0.86 C ATOM 703 O MET A 41 124.160 7.789 31.854 1.00 1.20 O ATOM 704 CB MET A 41 124.012 9.562 28.991 1.00 0.75 C ATOM 705 CG MET A 41 124.203 8.642 27.795 1.00 0.56 C ATOM 706 SD MET A 41 122.698 8.448 26.820 1.00 0.67 S ATOM 707 CE MET A 41 122.843 9.834 25.695 1.00 0.54 C ATOM 0 H MET A 41 126.659 8.584 29.114 1.00 0.53 H new ATOM 0 HA MET A 41 124.820 10.025 30.929 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.986 9.469 29.349 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.145 10.595 28.668 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.994 9.039 27.159 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.534 7.664 28.143 1.00 0.56 H new ATOM 0 HE1 MET A 41 121.983 9.850 25.025 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.877 10.763 26.264 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.757 9.734 25.110 1.00 0.54 H new ATOM 718 N GLY B 1 134.801 4.730 -27.963 1.00 0.61 N ATOM 719 CA GLY B 1 136.269 4.482 -28.037 1.00 0.61 C ATOM 720 C GLY B 1 136.666 3.136 -27.456 1.00 0.52 C ATOM 721 O GLY B 1 136.453 2.097 -28.084 1.00 0.60 O ATOM 0 H1 GLY B 1 134.585 5.661 -28.373 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.297 3.992 -28.495 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.495 4.710 -26.969 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.590 4.533 -29.077 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.794 5.273 -27.502 1.00 0.61 H new ATOM 727 N SER B 2 137.246 3.158 -26.255 1.00 0.50 N ATOM 728 CA SER B 2 137.681 1.932 -25.583 1.00 0.49 C ATOM 729 C SER B 2 137.025 1.767 -24.212 1.00 0.47 C ATOM 730 O SER B 2 137.451 0.918 -23.431 1.00 0.63 O ATOM 731 CB SER B 2 139.206 1.923 -25.437 1.00 0.55 C ATOM 732 OG SER B 2 139.842 1.978 -26.703 1.00 0.67 O ATOM 0 H SER B 2 137.426 4.012 -25.727 1.00 0.50 H new ATOM 0 HA SER B 2 137.368 1.091 -26.202 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.521 2.773 -24.831 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.518 1.022 -24.909 1.00 0.55 H new ATOM 0 HG SER B 2 140.814 1.973 -26.581 1.00 0.67 H new ATOM 738 N LEU B 3 135.975 2.552 -23.930 1.00 0.48 N ATOM 739 CA LEU B 3 135.259 2.446 -22.658 1.00 0.55 C ATOM 740 C LEU B 3 134.491 1.129 -22.630 1.00 0.65 C ATOM 741 O LEU B 3 133.273 1.093 -22.821 1.00 1.02 O ATOM 742 CB LEU B 3 134.300 3.629 -22.473 1.00 0.62 C ATOM 743 CG LEU B 3 134.922 4.887 -21.862 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.849 5.567 -22.860 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.832 5.846 -21.402 1.00 0.76 C ATOM 0 H LEU B 3 135.607 3.262 -24.564 1.00 0.48 H new ATOM 0 HA LEU B 3 135.977 2.469 -21.838 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.877 3.888 -23.444 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.472 3.309 -21.840 1.00 0.62 H new ATOM 0 HG LEU B 3 135.513 4.594 -20.995 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.281 6.459 -22.406 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.647 4.880 -23.141 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.283 5.849 -23.748 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.289 6.736 -20.970 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.216 6.132 -22.254 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.210 5.357 -20.652 1.00 0.76 H new ATOM 757 N THR B 4 135.231 0.041 -22.441 1.00 0.46 N ATOM 758 CA THR B 4 134.656 -1.295 -22.443 1.00 0.55 C ATOM 759 C THR B 4 135.490 -2.261 -21.592 1.00 0.42 C ATOM 760 O THR B 4 136.223 -1.838 -20.699 1.00 0.43 O ATOM 761 CB THR B 4 134.530 -1.806 -23.891 1.00 0.72 C ATOM 762 OG1 THR B 4 135.118 -0.900 -24.812 1.00 0.70 O ATOM 763 CG2 THR B 4 133.096 -2.022 -24.322 1.00 0.90 C ATOM 0 H THR B 4 136.239 0.062 -22.283 1.00 0.46 H new ATOM 0 HA THR B 4 133.662 -1.245 -21.998 1.00 0.55 H new ATOM 0 HB THR B 4 135.053 -2.763 -23.898 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.024 -1.252 -25.722 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.076 -2.382 -25.351 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.627 -2.759 -23.670 1.00 0.90 H new ATOM 0 HG23 THR B 4 132.551 -1.081 -24.256 1.00 0.90 H new ATOM 771 N TYR B 5 135.338 -3.557 -21.868 1.00 0.50 N ATOM 772 CA TYR B 5 136.044 -4.620 -21.138 1.00 0.45 C ATOM 773 C TYR B 5 137.485 -4.230 -20.794 1.00 0.41 C ATOM 774 O TYR B 5 137.878 -4.256 -19.628 1.00 0.46 O ATOM 775 CB TYR B 5 136.044 -5.910 -21.959 1.00 0.57 C ATOM 776 CG TYR B 5 136.627 -7.103 -21.227 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.159 -7.474 -19.971 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.647 -7.857 -21.794 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.692 -8.560 -19.303 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.184 -8.944 -21.132 1.00 0.92 C ATOM 781 CZ TYR B 5 137.703 -9.292 -19.887 1.00 0.67 C ATOM 782 OH TYR B 5 138.236 -10.373 -19.224 1.00 0.84 O ATOM 0 H TYR B 5 134.722 -3.903 -22.604 1.00 0.50 H new ATOM 0 HA TYR B 5 135.510 -4.775 -20.200 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.021 -6.142 -22.254 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.611 -5.746 -22.876 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.366 -6.904 -19.510 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.026 -7.589 -22.769 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.318 -8.834 -18.328 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.977 -9.519 -21.587 1.00 0.92 H new ATOM 0 HH TYR B 5 138.938 -10.780 -19.773 1.00 0.84 H new ATOM 792 N GLU B 6 138.271 -3.888 -21.815 1.00 0.49 N ATOM 793 CA GLU B 6 139.672 -3.508 -21.616 1.00 0.50 C ATOM 794 C GLU B 6 139.811 -2.294 -20.691 1.00 0.38 C ATOM 795 O GLU B 6 140.807 -2.167 -19.976 1.00 0.44 O ATOM 796 CB GLU B 6 140.338 -3.215 -22.963 1.00 0.62 C ATOM 797 CG GLU B 6 141.467 -4.176 -23.305 1.00 0.68 C ATOM 798 CD GLU B 6 142.508 -3.551 -24.214 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.458 -2.931 -23.691 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.374 -3.684 -25.449 1.00 1.14 O ATOM 0 H GLU B 6 137.963 -3.866 -22.787 1.00 0.49 H new ATOM 0 HA GLU B 6 140.172 -4.350 -21.137 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.584 -3.259 -23.749 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.729 -2.197 -22.952 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.947 -4.510 -22.385 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.052 -5.061 -23.788 1.00 0.68 H new ATOM 807 N GLU B 7 138.816 -1.403 -20.710 1.00 0.32 N ATOM 808 CA GLU B 7 138.842 -0.199 -19.874 1.00 0.29 C ATOM 809 C GLU B 7 138.478 -0.492 -18.416 1.00 0.27 C ATOM 810 O GLU B 7 138.847 0.275 -17.529 1.00 0.43 O ATOM 811 CB GLU B 7 137.893 0.864 -20.433 1.00 0.43 C ATOM 812 CG GLU B 7 138.040 2.229 -19.773 1.00 0.57 C ATOM 813 CD GLU B 7 137.057 2.447 -18.635 1.00 0.72 C ATOM 814 OE1 GLU B 7 135.842 2.243 -18.847 1.00 1.00 O ATOM 815 OE2 GLU B 7 137.503 2.827 -17.531 1.00 0.80 O ATOM 0 H GLU B 7 137.984 -1.492 -21.294 1.00 0.32 H new ATOM 0 HA GLU B 7 139.866 0.173 -19.894 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.069 0.968 -21.504 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.866 0.521 -20.311 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.056 2.335 -19.393 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.897 3.007 -20.523 1.00 0.57 H new ATOM 822 N VAL B 8 137.788 -1.608 -18.162 1.00 0.35 N ATOM 823 CA VAL B 8 137.422 -1.982 -16.794 1.00 0.37 C ATOM 824 C VAL B 8 138.507 -2.859 -16.159 1.00 0.28 C ATOM 825 O VAL B 8 138.670 -2.870 -14.937 1.00 0.40 O ATOM 826 CB VAL B 8 136.052 -2.702 -16.730 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.101 -4.062 -17.414 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.591 -2.842 -15.284 1.00 0.78 C ATOM 0 H VAL B 8 137.474 -2.262 -18.879 1.00 0.35 H new ATOM 0 HA VAL B 8 137.335 -1.055 -16.227 1.00 0.37 H new ATOM 0 HB VAL B 8 135.329 -2.090 -17.269 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.122 -4.537 -17.349 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.373 -3.933 -18.462 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.843 -4.690 -16.921 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.627 -3.350 -15.257 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.323 -3.423 -14.723 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.493 -1.853 -14.836 1.00 0.78 H new ATOM 838 N LEU B 9 139.254 -3.580 -17.003 1.00 0.35 N ATOM 839 CA LEU B 9 140.334 -4.446 -16.533 1.00 0.49 C ATOM 840 C LEU B 9 141.369 -3.627 -15.762 1.00 0.52 C ATOM 841 O LEU B 9 141.625 -3.889 -14.585 1.00 0.74 O ATOM 842 CB LEU B 9 140.995 -5.169 -17.712 1.00 0.65 C ATOM 843 CG LEU B 9 140.279 -6.443 -18.173 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.689 -6.806 -19.592 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.573 -7.595 -17.221 1.00 0.76 C ATOM 0 H LEU B 9 139.128 -3.579 -18.015 1.00 0.35 H new ATOM 0 HA LEU B 9 139.912 -5.196 -15.864 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.056 -4.479 -18.554 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.018 -5.425 -17.435 1.00 0.65 H new ATOM 0 HG LEU B 9 139.206 -6.254 -18.165 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.169 -7.713 -19.900 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.427 -5.991 -20.266 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.765 -6.974 -19.628 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.056 -8.491 -17.564 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.647 -7.782 -17.197 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.227 -7.337 -16.220 1.00 0.76 H new ATOM 857 N GLN B 10 141.955 -2.631 -16.434 1.00 0.41 N ATOM 858 CA GLN B 10 142.960 -1.758 -15.818 1.00 0.48 C ATOM 859 C GLN B 10 142.453 -1.154 -14.504 1.00 0.42 C ATOM 860 O GLN B 10 143.228 -0.966 -13.565 1.00 0.48 O ATOM 861 CB GLN B 10 143.351 -0.632 -16.782 1.00 0.58 C ATOM 862 CG GLN B 10 144.319 -1.064 -17.872 1.00 0.66 C ATOM 863 CD GLN B 10 145.745 -0.622 -17.594 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.520 -1.347 -16.971 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.099 0.575 -18.055 1.00 0.83 N ATOM 0 H GLN B 10 141.750 -2.409 -17.408 1.00 0.41 H new ATOM 0 HA GLN B 10 143.834 -2.371 -15.598 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.449 -0.235 -17.247 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.800 0.182 -16.212 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.291 -2.149 -17.969 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.994 -0.651 -18.827 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.425 1.144 -18.567 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.044 0.923 -17.896 1.00 0.83 H new ATOM 874 N GLU B 11 141.153 -0.844 -14.447 1.00 0.40 N ATOM 875 CA GLU B 11 140.552 -0.252 -13.249 1.00 0.42 C ATOM 876 C GLU B 11 140.747 -1.128 -12.009 1.00 0.37 C ATOM 877 O GLU B 11 140.766 -0.614 -10.891 1.00 0.54 O ATOM 878 CB GLU B 11 139.056 0.005 -13.456 1.00 0.48 C ATOM 879 CG GLU B 11 138.749 0.929 -14.622 1.00 0.62 C ATOM 880 CD GLU B 11 137.499 1.759 -14.403 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.576 2.767 -13.668 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.444 1.403 -14.968 1.00 1.61 O ATOM 0 H GLU B 11 140.499 -0.993 -15.215 1.00 0.40 H new ATOM 0 HA GLU B 11 141.066 0.695 -13.082 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.552 -0.948 -13.617 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.641 0.435 -12.544 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.597 1.594 -14.785 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.631 0.335 -15.528 1.00 0.62 H new ATOM 889 N LEU B 12 140.884 -2.447 -12.195 1.00 0.32 N ATOM 890 CA LEU B 12 141.066 -3.347 -11.060 1.00 0.30 C ATOM 891 C LEU B 12 142.418 -3.103 -10.390 1.00 0.28 C ATOM 892 O LEU B 12 142.466 -2.569 -9.281 1.00 0.36 O ATOM 893 CB LEU B 12 140.938 -4.808 -11.510 1.00 0.32 C ATOM 894 CG LEU B 12 140.044 -5.694 -10.635 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.771 -6.091 -9.360 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.733 -4.987 -10.308 1.00 0.54 C ATOM 0 H LEU B 12 140.872 -2.905 -13.107 1.00 0.32 H new ATOM 0 HA LEU B 12 140.284 -3.143 -10.329 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.549 -4.823 -12.528 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.935 -5.248 -11.543 1.00 0.32 H new ATOM 0 HG LEU B 12 139.810 -6.600 -11.195 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.121 -6.720 -8.751 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.676 -6.643 -9.614 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.038 -5.195 -8.799 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.115 -5.635 -9.686 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.943 -4.062 -9.771 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.203 -4.758 -11.232 1.00 0.54 H new ATOM 908 N VAL B 13 143.514 -3.507 -11.051 1.00 0.25 N ATOM 909 CA VAL B 13 144.863 -3.338 -10.501 1.00 0.26 C ATOM 910 C VAL B 13 145.062 -1.969 -9.845 1.00 0.22 C ATOM 911 O VAL B 13 145.682 -1.877 -8.786 1.00 0.26 O ATOM 912 CB VAL B 13 145.948 -3.547 -11.585 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.816 -2.517 -12.700 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.342 -3.504 -10.969 1.00 0.52 C ATOM 0 H VAL B 13 143.490 -3.953 -11.968 1.00 0.25 H new ATOM 0 HA VAL B 13 144.969 -4.103 -9.732 1.00 0.26 H new ATOM 0 HB VAL B 13 145.799 -4.534 -12.023 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.591 -2.688 -13.447 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.835 -2.610 -13.167 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.927 -1.515 -12.285 1.00 0.62 H new ATOM 0 HG21 VAL B 13 148.089 -3.653 -11.749 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.501 -2.535 -10.495 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.434 -4.293 -10.222 1.00 0.52 H new ATOM 924 N LYS B 14 144.529 -0.910 -10.467 1.00 0.24 N ATOM 925 CA LYS B 14 144.653 0.439 -9.918 1.00 0.25 C ATOM 926 C LYS B 14 144.081 0.489 -8.502 1.00 0.22 C ATOM 927 O LYS B 14 144.773 0.859 -7.553 1.00 0.29 O ATOM 928 CB LYS B 14 143.931 1.452 -10.813 1.00 0.34 C ATOM 929 CG LYS B 14 144.759 1.915 -12.001 1.00 0.87 C ATOM 930 CD LYS B 14 144.092 3.072 -12.726 1.00 0.75 C ATOM 931 CE LYS B 14 144.507 4.414 -12.143 1.00 0.70 C ATOM 932 NZ LYS B 14 144.495 5.497 -13.167 1.00 0.72 N ATOM 0 H LYS B 14 144.012 -0.964 -11.345 1.00 0.24 H new ATOM 0 HA LYS B 14 145.711 0.700 -9.881 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.005 1.007 -11.178 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.653 2.320 -10.214 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.748 2.220 -11.660 1.00 0.87 H new ATOM 0 HG3 LYS B 14 144.902 1.085 -12.692 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.353 3.038 -13.784 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.009 2.966 -12.662 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.833 4.679 -11.328 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.506 4.330 -11.716 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.784 6.394 -12.727 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.157 5.258 -13.933 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.536 5.596 -13.557 1.00 0.72 H new ATOM 946 N HIS B 15 142.805 0.133 -8.375 1.00 0.24 N ATOM 947 CA HIS B 15 142.117 0.145 -7.087 1.00 0.27 C ATOM 948 C HIS B 15 142.923 -0.537 -5.981 1.00 0.25 C ATOM 949 O HIS B 15 142.989 -0.019 -4.865 1.00 0.45 O ATOM 950 CB HIS B 15 140.743 -0.517 -7.214 1.00 0.33 C ATOM 951 CG HIS B 15 139.716 0.377 -7.831 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.415 0.463 -7.382 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.811 1.237 -8.870 1.00 0.74 C ATOM 954 CE1 HIS B 15 137.755 1.339 -8.120 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.580 1.822 -9.029 1.00 0.76 N ATOM 0 H HIS B 15 142.223 -0.170 -9.156 1.00 0.24 H new ATOM 0 HA HIS B 15 141.999 1.190 -6.802 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.836 -1.422 -7.815 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.402 -0.824 -6.226 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.692 1.428 -9.464 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.717 1.613 -7.999 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.341 2.518 -9.736 1.00 0.76 H new ATOM 964 N LYS B 16 143.527 -1.698 -6.267 1.00 0.21 N ATOM 965 CA LYS B 16 144.303 -2.423 -5.256 1.00 0.27 C ATOM 966 C LYS B 16 145.672 -1.793 -5.005 1.00 0.36 C ATOM 967 O LYS B 16 146.089 -1.669 -3.854 1.00 0.69 O ATOM 968 CB LYS B 16 144.495 -3.883 -5.676 1.00 0.35 C ATOM 969 CG LYS B 16 143.197 -4.618 -5.972 1.00 0.46 C ATOM 970 CD LYS B 16 143.381 -5.646 -7.078 1.00 0.49 C ATOM 971 CE LYS B 16 143.962 -6.947 -6.543 1.00 0.53 C ATOM 972 NZ LYS B 16 145.177 -7.367 -7.296 1.00 0.61 N ATOM 0 H LYS B 16 143.493 -2.150 -7.181 1.00 0.21 H new ATOM 0 HA LYS B 16 143.732 -2.369 -4.329 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.129 -3.915 -6.562 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.027 -4.411 -4.885 1.00 0.35 H new ATOM 0 HG2 LYS B 16 142.843 -5.113 -5.068 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.429 -3.901 -6.264 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.421 -5.844 -7.554 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.040 -5.241 -7.846 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.213 -6.826 -5.489 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.209 -7.732 -6.603 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.541 -8.257 -6.900 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 144.933 -7.508 -8.297 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.906 -6.630 -7.218 1.00 0.61 H new ATOM 986 N GLU B 17 146.377 -1.400 -6.075 1.00 0.30 N ATOM 987 CA GLU B 17 147.701 -0.790 -5.921 1.00 0.38 C ATOM 988 C GLU B 17 147.619 0.459 -5.043 1.00 0.32 C ATOM 989 O GLU B 17 148.551 0.761 -4.297 1.00 0.40 O ATOM 990 CB GLU B 17 148.335 -0.458 -7.281 1.00 0.51 C ATOM 991 CG GLU B 17 147.556 0.550 -8.108 1.00 0.80 C ATOM 992 CD GLU B 17 148.204 0.832 -9.449 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.011 0.024 -10.383 1.00 1.47 O ATOM 994 OE2 GLU B 17 148.903 1.861 -9.567 1.00 1.49 O ATOM 0 H GLU B 17 146.058 -1.492 -7.040 1.00 0.30 H new ATOM 0 HA GLU B 17 148.345 -1.519 -5.429 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.341 -0.073 -7.115 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.437 -1.379 -7.855 1.00 0.51 H new ATOM 0 HG2 GLU B 17 146.544 0.177 -8.269 1.00 0.80 H new ATOM 0 HG3 GLU B 17 147.467 1.481 -7.549 1.00 0.80 H new ATOM 1001 N LEU B 18 146.484 1.163 -5.113 1.00 0.32 N ATOM 1002 CA LEU B 18 146.269 2.356 -4.299 1.00 0.34 C ATOM 1003 C LEU B 18 146.139 1.982 -2.819 1.00 0.35 C ATOM 1004 O LEU B 18 146.501 2.767 -1.944 1.00 0.66 O ATOM 1005 CB LEU B 18 145.017 3.105 -4.766 1.00 0.51 C ATOM 1006 CG LEU B 18 145.182 3.890 -6.071 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.843 4.444 -6.535 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.195 5.014 -5.895 1.00 0.75 C ATOM 0 H LEU B 18 145.704 0.925 -5.725 1.00 0.32 H new ATOM 0 HA LEU B 18 147.133 3.011 -4.418 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.207 2.386 -4.892 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.711 3.796 -3.980 1.00 0.51 H new ATOM 0 HG LEU B 18 145.555 3.209 -6.836 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.981 4.998 -7.463 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.148 3.622 -6.703 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.440 5.109 -5.771 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.299 5.560 -6.832 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.852 5.694 -5.115 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.160 4.593 -5.612 1.00 0.75 H new ATOM 1020 N LEU B 19 145.648 0.765 -2.550 1.00 0.45 N ATOM 1021 CA LEU B 19 145.500 0.268 -1.180 1.00 0.47 C ATOM 1022 C LEU B 19 146.832 -0.280 -0.658 1.00 0.33 C ATOM 1023 O LEU B 19 147.138 -0.165 0.530 1.00 0.45 O ATOM 1024 CB LEU B 19 144.430 -0.828 -1.117 1.00 0.63 C ATOM 1025 CG LEU B 19 142.983 -0.338 -1.220 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.161 -1.276 -2.092 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.363 -0.216 0.165 1.00 0.96 C ATOM 0 H LEU B 19 145.346 0.106 -3.268 1.00 0.45 H new ATOM 0 HA LEU B 19 145.190 1.102 -0.551 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.614 -1.539 -1.923 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.546 -1.372 -0.180 1.00 0.63 H new ATOM 0 HG LEU B 19 142.986 0.648 -1.685 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.136 -0.911 -2.153 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.593 -1.315 -3.092 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.165 -2.275 -1.656 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.335 0.133 0.074 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.373 -1.189 0.655 1.00 0.96 H new ATOM 0 HD23 LEU B 19 142.937 0.496 0.759 1.00 0.96 H new ATOM 1039 N ARG B 20 147.628 -0.856 -1.567 1.00 0.35 N ATOM 1040 CA ARG B 20 148.938 -1.401 -1.211 1.00 0.49 C ATOM 1041 C ARG B 20 149.883 -0.259 -0.852 1.00 0.40 C ATOM 1042 O ARG B 20 150.386 -0.189 0.270 1.00 0.49 O ATOM 1043 CB ARG B 20 149.513 -2.231 -2.365 1.00 0.76 C ATOM 1044 CG ARG B 20 148.752 -3.524 -2.625 1.00 0.85 C ATOM 1045 CD ARG B 20 149.660 -4.608 -3.191 1.00 0.96 C ATOM 1046 NE ARG B 20 150.209 -5.471 -2.142 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.712 -6.690 -2.361 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.739 -7.201 -3.590 1.00 1.68 N ATOM 1049 NH2 ARG B 20 151.190 -7.400 -1.345 1.00 1.59 N ATOM 0 H ARG B 20 147.386 -0.955 -2.553 1.00 0.35 H new ATOM 0 HA ARG B 20 148.826 -2.058 -0.349 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.508 -1.628 -3.273 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.554 -2.470 -2.146 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.302 -3.875 -1.696 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.936 -3.332 -3.322 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.100 -5.215 -3.902 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.478 -4.144 -3.743 1.00 0.96 H new ATOM 0 HE ARG B 20 150.207 -5.120 -1.184 1.00 1.06 H new ATOM 0 HH11 ARG B 20 150.374 -6.661 -4.375 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.125 -8.132 -3.747 1.00 1.68 H new ATOM 0 HH21 ARG B 20 151.173 -7.015 -0.401 1.00 1.59 H new ATOM 0 HH22 ARG B 20 151.574 -8.330 -1.509 1.00 1.59 H new ATOM 1063 N ARG B 21 150.107 0.636 -1.816 1.00 0.35 N ATOM 1064 CA ARG B 21 150.978 1.793 -1.617 1.00 0.35 C ATOM 1065 C ARG B 21 150.592 2.553 -0.345 1.00 0.34 C ATOM 1066 O ARG B 21 151.458 2.919 0.449 1.00 0.47 O ATOM 1067 CB ARG B 21 150.903 2.726 -2.827 1.00 0.45 C ATOM 1068 CG ARG B 21 152.091 3.664 -2.951 1.00 0.70 C ATOM 1069 CD ARG B 21 151.900 4.651 -4.092 1.00 0.98 C ATOM 1070 NE ARG B 21 152.939 5.681 -4.109 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.782 6.893 -4.648 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.632 7.233 -5.228 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.781 7.769 -4.610 1.00 1.53 N ATOM 0 H ARG B 21 149.694 0.580 -2.747 1.00 0.35 H new ATOM 0 HA ARG B 21 152.001 1.434 -1.507 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.830 2.125 -3.734 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.990 3.318 -2.762 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.227 4.208 -2.016 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.999 3.084 -3.117 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.907 4.114 -5.040 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.922 5.124 -4.001 1.00 0.98 H new ATOM 0 HE ARG B 21 153.839 5.460 -3.683 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.862 6.565 -5.263 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.522 8.161 -5.637 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.665 7.515 -4.170 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.663 8.695 -5.021 1.00 1.53 H new ATOM 1087 N LYS B 22 149.286 2.786 -0.163 1.00 0.30 N ATOM 1088 CA LYS B 22 148.777 3.502 1.012 1.00 0.36 C ATOM 1089 C LYS B 22 149.275 2.873 2.317 1.00 0.31 C ATOM 1090 O LYS B 22 149.524 3.583 3.294 1.00 0.36 O ATOM 1091 CB LYS B 22 147.245 3.526 1.000 1.00 0.47 C ATOM 1092 CG LYS B 22 146.647 4.769 1.639 1.00 0.69 C ATOM 1093 CD LYS B 22 145.133 4.804 1.486 1.00 0.86 C ATOM 1094 CE LYS B 22 144.438 4.111 2.649 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.266 4.887 3.140 1.00 0.70 N ATOM 0 H LYS B 22 148.562 2.488 -0.817 1.00 0.30 H new ATOM 0 HA LYS B 22 149.156 4.523 0.962 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.898 3.456 -0.031 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.873 2.645 1.523 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.907 4.796 2.697 1.00 0.69 H new ATOM 0 HG3 LYS B 22 147.080 5.658 1.182 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.796 5.839 1.424 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.850 4.320 0.551 1.00 0.86 H new ATOM 0 HE2 LYS B 22 144.111 3.119 2.337 1.00 0.70 H new ATOM 0 HE3 LYS B 22 145.148 3.971 3.464 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.821 4.380 3.932 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.581 5.825 3.462 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.576 4.999 2.370 1.00 0.70 H new ATOM 1109 N ASP B 23 149.437 1.546 2.326 1.00 0.32 N ATOM 1110 CA ASP B 23 149.925 0.840 3.511 1.00 0.32 C ATOM 1111 C ASP B 23 151.442 0.975 3.621 1.00 0.30 C ATOM 1112 O ASP B 23 151.978 1.170 4.712 1.00 0.37 O ATOM 1113 CB ASP B 23 149.534 -0.640 3.459 1.00 0.36 C ATOM 1114 CG ASP B 23 148.956 -1.129 4.773 1.00 0.75 C ATOM 1115 OD1 ASP B 23 149.741 -1.366 5.716 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.718 -1.274 4.861 1.00 1.15 O ATOM 0 H ASP B 23 149.238 0.943 1.528 1.00 0.32 H new ATOM 0 HA ASP B 23 149.464 1.290 4.390 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.804 -0.793 2.664 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.411 -1.236 3.206 1.00 0.36 H new ATOM 1121 N THR B 24 152.125 0.884 2.478 1.00 0.28 N ATOM 1122 CA THR B 24 153.580 1.013 2.433 1.00 0.29 C ATOM 1123 C THR B 24 154.013 2.433 2.816 1.00 0.27 C ATOM 1124 O THR B 24 155.130 2.637 3.289 1.00 0.32 O ATOM 1125 CB THR B 24 154.098 0.663 1.034 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.630 -0.613 0.633 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.609 0.648 0.936 1.00 0.55 C ATOM 0 H THR B 24 151.691 0.721 1.570 1.00 0.28 H new ATOM 0 HA THR B 24 154.008 0.317 3.155 1.00 0.29 H new ATOM 0 HB THR B 24 153.718 1.450 0.382 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.969 -0.819 -0.263 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.905 0.393 -0.082 1.00 0.55 H new ATOM 0 HG22 THR B 24 156.000 1.633 1.192 1.00 0.55 H new ATOM 0 HG23 THR B 24 156.011 -0.093 1.627 1.00 0.55 H new ATOM 1135 N HIS B 25 153.110 3.403 2.626 1.00 0.26 N ATOM 1136 CA HIS B 25 153.392 4.794 2.970 1.00 0.29 C ATOM 1137 C HIS B 25 153.348 4.985 4.483 1.00 0.31 C ATOM 1138 O HIS B 25 154.244 5.598 5.059 1.00 0.41 O ATOM 1139 CB HIS B 25 152.411 5.744 2.280 1.00 0.34 C ATOM 1140 CG HIS B 25 153.030 7.049 1.883 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.234 7.138 1.214 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.609 8.324 2.063 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.525 8.408 1.002 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.555 9.148 1.506 1.00 0.74 N ATOM 0 H HIS B 25 152.181 3.246 2.236 1.00 0.26 H new ATOM 0 HA HIS B 25 154.394 5.034 2.616 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.007 5.257 1.393 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.571 5.936 2.948 1.00 0.34 H new ATOM 0 HD2 HIS B 25 151.698 8.634 2.554 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.407 8.779 0.501 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.515 10.167 1.485 1.00 0.74 H new ATOM 1153 N ILE B 26 152.324 4.427 5.131 1.00 0.29 N ATOM 1154 CA ILE B 26 152.219 4.515 6.587 1.00 0.35 C ATOM 1155 C ILE B 26 153.297 3.635 7.231 1.00 0.35 C ATOM 1156 O ILE B 26 153.744 3.896 8.348 1.00 0.47 O ATOM 1157 CB ILE B 26 150.821 4.097 7.105 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.484 2.665 6.680 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.759 5.068 6.607 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.297 2.075 7.413 1.00 0.68 C ATOM 0 H ILE B 26 151.566 3.916 4.678 1.00 0.29 H new ATOM 0 HA ILE B 26 152.367 5.558 6.865 1.00 0.35 H new ATOM 0 HB ILE B 26 150.838 4.129 8.194 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.282 2.652 5.609 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.355 2.031 6.848 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.782 4.761 6.979 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.986 6.071 6.967 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.748 5.068 5.517 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.119 1.060 7.059 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.503 2.055 8.483 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.413 2.685 7.225 1.00 0.68 H new ATOM 1172 N ARG B 27 153.721 2.605 6.487 1.00 0.31 N ATOM 1173 CA ARG B 27 154.762 1.689 6.940 1.00 0.37 C ATOM 1174 C ARG B 27 156.131 2.368 6.879 1.00 0.34 C ATOM 1175 O ARG B 27 156.909 2.295 7.832 1.00 0.39 O ATOM 1176 CB ARG B 27 154.767 0.416 6.086 1.00 0.46 C ATOM 1177 CG ARG B 27 155.545 -0.734 6.708 1.00 0.53 C ATOM 1178 CD ARG B 27 156.796 -1.058 5.906 1.00 0.80 C ATOM 1179 NE ARG B 27 157.533 -2.191 6.465 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.205 -3.472 6.269 1.00 0.92 C ATOM 1181 NH1 ARG B 27 156.138 -3.796 5.542 1.00 1.21 N ATOM 1182 NH2 ARG B 27 157.948 -4.433 6.807 1.00 1.67 N ATOM 0 H ARG B 27 153.352 2.389 5.561 1.00 0.31 H new ATOM 0 HA ARG B 27 154.552 1.414 7.974 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.738 0.098 5.918 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.194 0.646 5.110 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.823 -0.476 7.730 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.909 -1.617 6.764 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.518 -1.281 4.876 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.445 -0.183 5.879 1.00 0.80 H new ATOM 0 HE ARG B 27 158.350 -1.991 7.042 1.00 0.90 H new ATOM 0 HH11 ARG B 27 155.561 -3.064 5.128 1.00 1.21 H new ATOM 0 HH12 ARG B 27 155.897 -4.777 5.399 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.766 -4.192 7.367 1.00 1.67 H new ATOM 0 HH22 ARG B 27 157.701 -5.412 6.660 1.00 1.67 H new ATOM 1196 N GLU B 28 156.416 3.039 5.755 1.00 0.33 N ATOM 1197 CA GLU B 28 157.690 3.738 5.584 1.00 0.36 C ATOM 1198 C GLU B 28 157.763 4.967 6.492 1.00 0.35 C ATOM 1199 O GLU B 28 158.809 5.247 7.079 1.00 0.44 O ATOM 1200 CB GLU B 28 157.927 4.138 4.118 1.00 0.47 C ATOM 1201 CG GLU B 28 156.800 4.944 3.489 1.00 0.78 C ATOM 1202 CD GLU B 28 157.144 6.412 3.320 1.00 1.17 C ATOM 1203 OE1 GLU B 28 157.963 6.732 2.432 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.593 7.242 4.072 1.00 1.79 O ATOM 0 H GLU B 28 155.784 3.111 4.957 1.00 0.33 H new ATOM 0 HA GLU B 28 158.481 3.045 5.871 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.848 4.718 4.058 1.00 0.47 H new ATOM 0 HB3 GLU B 28 158.081 3.234 3.529 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.556 4.519 2.515 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.907 4.855 4.108 1.00 0.78 H new ATOM 1211 N LEU B 29 156.644 5.689 6.614 1.00 0.33 N ATOM 1212 CA LEU B 29 156.584 6.880 7.463 1.00 0.38 C ATOM 1213 C LEU B 29 156.757 6.519 8.940 1.00 0.42 C ATOM 1214 O LEU B 29 157.229 7.339 9.729 1.00 0.79 O ATOM 1215 CB LEU B 29 155.256 7.620 7.266 1.00 0.46 C ATOM 1216 CG LEU B 29 155.369 9.145 7.182 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.262 9.612 5.737 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.300 9.810 8.041 1.00 0.59 C ATOM 0 H LEU B 29 155.770 5.469 6.136 1.00 0.33 H new ATOM 0 HA LEU B 29 157.405 7.533 7.167 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.786 7.255 6.353 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.590 7.365 8.090 1.00 0.46 H new ATOM 0 HG LEU B 29 156.347 9.437 7.565 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.345 10.698 5.699 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.065 9.166 5.150 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.300 9.307 5.326 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.397 10.893 7.968 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.313 9.509 7.690 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.425 9.504 9.080 1.00 0.59 H new ATOM 1230 N GLU B 30 156.396 5.283 9.307 1.00 0.43 N ATOM 1231 CA GLU B 30 156.535 4.822 10.688 1.00 0.45 C ATOM 1232 C GLU B 30 158.011 4.706 11.080 1.00 0.44 C ATOM 1233 O GLU B 30 158.363 4.871 12.249 1.00 0.58 O ATOM 1234 CB GLU B 30 155.825 3.478 10.881 1.00 0.51 C ATOM 1235 CG GLU B 30 154.398 3.614 11.395 1.00 0.58 C ATOM 1236 CD GLU B 30 154.330 4.242 12.776 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.536 3.515 13.771 1.00 1.26 O ATOM 1238 OE2 GLU B 30 154.071 5.461 12.861 1.00 1.35 O ATOM 0 H GLU B 30 156.008 4.589 8.668 1.00 0.43 H new ATOM 0 HA GLU B 30 156.066 5.560 11.339 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.811 2.943 9.931 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.399 2.870 11.581 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.821 4.219 10.696 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.931 2.629 11.425 1.00 0.58 H new ATOM 1245 N ASP B 31 158.872 4.447 10.089 1.00 0.41 N ATOM 1246 CA ASP B 31 160.310 4.340 10.325 1.00 0.55 C ATOM 1247 C ASP B 31 160.908 5.730 10.544 1.00 0.57 C ATOM 1248 O ASP B 31 161.786 5.912 11.389 1.00 0.76 O ATOM 1249 CB ASP B 31 161.000 3.647 9.146 1.00 0.69 C ATOM 1250 CG ASP B 31 160.797 2.143 9.161 1.00 1.28 C ATOM 1251 OD1 ASP B 31 159.763 1.679 8.635 1.00 1.74 O ATOM 1252 OD2 ASP B 31 161.671 1.431 9.700 1.00 1.66 O ATOM 0 H ASP B 31 158.595 4.308 9.117 1.00 0.41 H new ATOM 0 HA ASP B 31 160.472 3.738 11.219 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.613 4.054 8.212 1.00 0.69 H new ATOM 0 HB3 ASP B 31 162.067 3.867 9.172 1.00 0.69 H new ATOM 1257 N TYR B 32 160.409 6.708 9.781 1.00 0.49 N ATOM 1258 CA TYR B 32 160.869 8.092 9.890 1.00 0.56 C ATOM 1259 C TYR B 32 160.477 8.681 11.245 1.00 0.56 C ATOM 1260 O TYR B 32 161.247 9.424 11.855 1.00 0.67 O ATOM 1261 CB TYR B 32 160.265 8.945 8.767 1.00 0.60 C ATOM 1262 CG TYR B 32 160.975 8.816 7.436 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.099 7.584 6.804 1.00 1.15 C ATOM 1264 CD2 TYR B 32 161.513 9.932 6.806 1.00 0.96 C ATOM 1265 CE1 TYR B 32 161.740 7.468 5.585 1.00 1.37 C ATOM 1266 CE2 TYR B 32 162.153 9.824 5.586 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.264 8.591 4.980 1.00 1.21 C ATOM 1268 OH TYR B 32 162.899 8.480 3.764 1.00 1.53 O ATOM 0 H TYR B 32 159.683 6.563 9.079 1.00 0.49 H new ATOM 0 HA TYR B 32 161.955 8.098 9.800 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.220 8.665 8.636 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.279 9.991 9.073 1.00 0.60 H new ATOM 0 HD1 TYR B 32 160.688 6.703 7.273 1.00 1.15 H new ATOM 0 HD2 TYR B 32 161.429 10.900 7.278 1.00 0.96 H new ATOM 0 HE1 TYR B 32 161.830 6.503 5.109 1.00 1.37 H new ATOM 0 HE2 TYR B 32 162.564 10.702 5.110 1.00 1.17 H new ATOM 0 HH TYR B 32 163.209 9.364 3.475 1.00 1.53 H new ATOM 1278 N ILE B 33 159.269 8.342 11.705 1.00 0.54 N ATOM 1279 CA ILE B 33 158.759 8.832 12.984 1.00 0.64 C ATOM 1280 C ILE B 33 159.465 8.168 14.171 1.00 0.58 C ATOM 1281 O ILE B 33 159.528 8.747 15.258 1.00 0.78 O ATOM 1282 CB ILE B 33 157.233 8.599 13.111 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.483 9.318 11.985 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.728 9.071 14.470 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.138 8.701 11.661 1.00 0.87 C ATOM 0 H ILE B 33 158.626 7.727 11.206 1.00 0.54 H new ATOM 0 HA ILE B 33 158.963 9.902 13.006 1.00 0.64 H new ATOM 0 HB ILE B 33 157.044 7.529 13.025 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.337 10.361 12.266 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.101 9.313 11.087 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.654 8.899 14.539 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.236 8.517 15.259 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.933 10.135 14.585 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.665 9.262 10.855 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.278 7.666 11.349 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.502 8.730 12.546 1.00 0.87 H new ATOM 1297 N ASP B 34 159.994 6.955 13.970 1.00 0.46 N ATOM 1298 CA ASP B 34 160.683 6.230 15.039 1.00 0.50 C ATOM 1299 C ASP B 34 161.896 6.999 15.567 1.00 0.40 C ATOM 1300 O ASP B 34 162.221 6.891 16.741 1.00 0.45 O ATOM 1301 CB ASP B 34 161.119 4.846 14.549 1.00 0.69 C ATOM 1302 CG ASP B 34 160.332 3.728 15.206 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.623 3.407 16.379 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.425 3.176 14.550 1.00 1.46 O ATOM 0 H ASP B 34 159.957 6.458 13.080 1.00 0.46 H new ATOM 0 HA ASP B 34 159.976 6.120 15.861 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.993 4.789 13.468 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.181 4.709 14.753 1.00 0.69 H new ATOM 1309 N ASN B 35 162.562 7.761 14.694 1.00 0.52 N ATOM 1310 CA ASN B 35 163.745 8.546 15.073 1.00 0.58 C ATOM 1311 C ASN B 35 163.588 9.165 16.465 1.00 0.49 C ATOM 1312 O ASN B 35 164.522 9.141 17.268 1.00 0.61 O ATOM 1313 CB ASN B 35 164.006 9.648 14.040 1.00 0.78 C ATOM 1314 CG ASN B 35 164.853 9.164 12.877 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.082 9.193 12.938 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.200 8.715 11.809 1.00 1.31 N ATOM 0 H ASN B 35 162.301 7.852 13.712 1.00 0.52 H new ATOM 0 HA ASN B 35 164.596 7.866 15.099 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.054 10.020 13.662 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.506 10.486 14.526 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.719 8.377 10.999 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.180 8.708 11.800 1.00 1.31 H new ATOM 1323 N LEU B 36 162.398 9.702 16.748 1.00 0.44 N ATOM 1324 CA LEU B 36 162.117 10.307 18.052 1.00 0.51 C ATOM 1325 C LEU B 36 162.188 9.248 19.153 1.00 0.47 C ATOM 1326 O LEU B 36 162.850 9.442 20.173 1.00 0.59 O ATOM 1327 CB LEU B 36 160.735 10.974 18.058 1.00 0.71 C ATOM 1328 CG LEU B 36 160.404 11.821 16.824 1.00 0.83 C ATOM 1329 CD1 LEU B 36 158.955 12.284 16.870 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.346 13.015 16.721 1.00 1.64 C ATOM 0 H LEU B 36 161.616 9.730 16.094 1.00 0.44 H new ATOM 0 HA LEU B 36 162.871 11.071 18.241 1.00 0.51 H new ATOM 0 HB2 LEU B 36 159.977 10.197 18.158 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.661 11.607 18.942 1.00 0.71 H new ATOM 0 HG LEU B 36 160.541 11.203 15.937 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.737 12.884 15.987 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.296 11.416 16.891 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.793 12.884 17.765 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.094 13.603 15.838 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.245 13.636 17.611 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.374 12.662 16.640 1.00 1.64 H new ATOM 1342 N LEU B 37 161.510 8.121 18.924 1.00 0.41 N ATOM 1343 CA LEU B 37 161.495 7.009 19.874 1.00 0.48 C ATOM 1344 C LEU B 37 162.155 5.771 19.253 1.00 0.41 C ATOM 1345 O LEU B 37 161.514 4.732 19.084 1.00 0.54 O ATOM 1346 CB LEU B 37 160.054 6.691 20.293 1.00 0.65 C ATOM 1347 CG LEU B 37 159.075 6.441 19.139 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.203 5.227 19.428 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.214 7.673 18.892 1.00 0.69 C ATOM 0 H LEU B 37 160.960 7.955 18.081 1.00 0.41 H new ATOM 0 HA LEU B 37 162.061 7.297 20.760 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.066 5.810 20.935 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.677 7.518 20.894 1.00 0.65 H new ATOM 0 HG LEU B 37 159.653 6.239 18.237 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.516 5.067 18.597 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.834 4.347 19.552 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.634 5.397 20.342 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.526 7.477 18.070 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.646 7.907 19.793 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.853 8.518 18.636 1.00 0.69 H new ATOM 1361 N VAL B 38 163.436 5.897 18.895 1.00 0.36 N ATOM 1362 CA VAL B 38 164.175 4.807 18.260 1.00 0.49 C ATOM 1363 C VAL B 38 163.980 3.498 19.009 1.00 0.67 C ATOM 1364 O VAL B 38 164.412 3.353 20.152 1.00 1.35 O ATOM 1365 CB VAL B 38 165.684 5.126 18.165 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.463 3.934 17.618 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.911 6.357 17.301 1.00 0.89 C ATOM 0 H VAL B 38 163.982 6.747 19.036 1.00 0.36 H new ATOM 0 HA VAL B 38 163.775 4.701 17.251 1.00 0.49 H new ATOM 0 HB VAL B 38 166.052 5.333 19.170 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.522 4.186 17.562 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.329 3.077 18.279 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.096 3.685 16.622 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.979 6.569 17.243 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.523 6.175 16.299 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.395 7.210 17.741 1.00 0.89 H new ATOM 1377 N ARG B 39 163.235 2.596 18.363 1.00 0.54 N ATOM 1378 CA ARG B 39 162.851 1.312 18.946 1.00 0.62 C ATOM 1379 C ARG B 39 164.017 0.604 19.636 1.00 0.51 C ATOM 1380 O ARG B 39 164.716 -0.225 19.051 1.00 0.63 O ATOM 1381 CB ARG B 39 162.252 0.407 17.858 1.00 0.93 C ATOM 1382 CG ARG B 39 161.868 -0.986 18.347 1.00 1.15 C ATOM 1383 CD ARG B 39 162.850 -2.045 17.861 1.00 1.41 C ATOM 1384 NE ARG B 39 162.387 -2.729 16.653 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.171 -3.478 15.872 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.460 -3.640 16.164 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.664 -4.070 14.796 1.00 2.18 N ATOM 0 H ARG B 39 162.881 2.739 17.417 1.00 0.54 H new ATOM 0 HA ARG B 39 162.106 1.515 19.715 1.00 0.62 H new ATOM 0 HB2 ARG B 39 161.368 0.891 17.444 1.00 0.93 H new ATOM 0 HB3 ARG B 39 162.972 0.309 17.045 1.00 0.93 H new ATOM 0 HG2 ARG B 39 161.835 -0.993 19.436 1.00 1.15 H new ATOM 0 HG3 ARG B 39 160.865 -1.231 17.996 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.814 -1.577 17.662 1.00 1.41 H new ATOM 0 HD3 ARG B 39 163.008 -2.779 18.651 1.00 1.41 H new ATOM 0 HE ARG B 39 161.406 -2.628 16.391 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.856 -3.191 16.989 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.051 -4.214 15.562 1.00 2.06 H new ATOM 0 HH21 ARG B 39 161.677 -3.953 14.567 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.262 -4.642 14.199 1.00 2.18 H new ATOM 1401 N VAL B 40 164.185 0.949 20.913 1.00 0.43 N ATOM 1402 CA VAL B 40 165.218 0.372 21.767 1.00 0.56 C ATOM 1403 C VAL B 40 164.660 0.192 23.185 1.00 0.71 C ATOM 1404 O VAL B 40 165.177 0.758 24.153 1.00 1.15 O ATOM 1405 CB VAL B 40 166.489 1.257 21.807 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.571 0.622 22.675 1.00 1.04 C ATOM 1407 CG2 VAL B 40 167.013 1.502 20.400 1.00 0.65 C ATOM 0 H VAL B 40 163.603 1.641 21.385 1.00 0.43 H new ATOM 0 HA VAL B 40 165.504 -0.595 21.352 1.00 0.56 H new ATOM 0 HB VAL B 40 166.218 2.216 22.250 1.00 0.60 H new ATOM 0 HG11 VAL B 40 168.452 1.264 22.686 1.00 1.04 H new ATOM 0 HG12 VAL B 40 167.197 0.501 23.692 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.838 -0.354 22.268 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.906 2.125 20.448 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.260 0.549 19.933 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.249 2.008 19.810 1.00 0.65 H new ATOM 1417 N MET B 41 163.584 -0.596 23.292 1.00 0.60 N ATOM 1418 CA MET B 41 162.930 -0.850 24.578 1.00 0.74 C ATOM 1419 C MET B 41 163.532 -2.071 25.272 1.00 0.91 C ATOM 1420 O MET B 41 163.576 -3.152 24.644 1.00 0.91 O ATOM 1421 CB MET B 41 161.416 -1.050 24.392 1.00 0.73 C ATOM 1422 CG MET B 41 160.777 -0.098 23.388 1.00 0.74 C ATOM 1423 SD MET B 41 160.024 -0.962 21.992 1.00 0.86 S ATOM 1424 CE MET B 41 159.687 0.400 20.876 1.00 0.70 C ATOM 1425 OXT MET B 41 163.955 -1.937 26.440 1.00 1.13 O ATOM 0 H MET B 41 163.148 -1.069 22.501 1.00 0.60 H new ATOM 0 HA MET B 41 163.096 0.024 25.208 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.234 -2.075 24.070 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.924 -0.926 25.357 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.018 0.500 23.892 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.533 0.594 23.017 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.824 0.069 19.846 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.660 0.738 21.015 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.371 1.222 21.087 1.00 0.70 H new