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 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=0) 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 71:sc= 0.23 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.518 K(o=0.52,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 X(o=0,f=-0.01) 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= 0.244 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.793 -18.599 -19.358 1.00 0.77 N ATOM 2 CA GLY A 1 130.684 -18.524 -18.365 1.00 0.81 C ATOM 3 C GLY A 1 130.535 -17.140 -17.761 1.00 0.65 C ATOM 4 O GLY A 1 130.116 -16.202 -18.442 1.00 0.70 O ATOM 0 H1 GLY A 1 131.852 -19.564 -19.740 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.611 -17.930 -20.133 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.691 -18.355 -18.894 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.749 -18.808 -18.848 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.864 -19.246 -17.569 1.00 0.81 H new ATOM 10 N SER A 2 130.879 -17.013 -16.479 1.00 0.55 N ATOM 11 CA SER A 2 130.784 -15.733 -15.779 1.00 0.48 C ATOM 12 C SER A 2 132.154 -15.079 -15.594 1.00 0.47 C ATOM 13 O SER A 2 132.233 -13.945 -15.123 1.00 0.71 O ATOM 14 CB SER A 2 130.103 -15.923 -14.421 1.00 0.54 C ATOM 15 OG SER A 2 128.721 -16.190 -14.577 1.00 0.67 O ATOM 0 H SER A 2 131.226 -17.781 -15.905 1.00 0.55 H new ATOM 0 HA SER A 2 130.182 -15.066 -16.396 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.577 -16.745 -13.885 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.237 -15.027 -13.815 1.00 0.54 H new ATOM 0 HG SER A 2 128.309 -16.309 -13.696 1.00 0.67 H new ATOM 21 N LEU A 3 133.228 -15.774 -15.990 1.00 0.38 N ATOM 22 CA LEU A 3 134.576 -15.215 -15.885 1.00 0.43 C ATOM 23 C LEU A 3 134.803 -14.256 -17.054 1.00 0.53 C ATOM 24 O LEU A 3 135.627 -14.506 -17.938 1.00 0.88 O ATOM 25 CB LEU A 3 135.664 -16.313 -15.867 1.00 0.48 C ATOM 26 CG LEU A 3 135.172 -17.766 -15.814 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.304 -18.723 -16.160 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.603 -18.091 -14.439 1.00 1.42 C ATOM 0 H LEU A 3 133.188 -16.715 -16.382 1.00 0.38 H new ATOM 0 HA LEU A 3 134.655 -14.681 -14.938 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.282 -16.195 -16.757 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.309 -16.140 -15.005 1.00 0.48 H new ATOM 0 HG LEU A 3 134.378 -17.886 -16.551 1.00 0.85 H new ATOM 0 HD11 LEU A 3 135.939 -19.749 -16.118 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.668 -18.508 -17.165 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.117 -18.598 -15.445 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.260 -19.125 -14.422 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.376 -17.953 -13.683 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.765 -17.427 -14.226 1.00 1.42 H new ATOM 40 N THR A 4 134.039 -13.164 -17.058 1.00 0.41 N ATOM 41 CA THR A 4 134.112 -12.162 -18.115 1.00 0.49 C ATOM 42 C THR A 4 133.713 -10.789 -17.565 1.00 0.39 C ATOM 43 O THR A 4 133.804 -10.555 -16.363 1.00 0.39 O ATOM 44 CB THR A 4 133.209 -12.564 -19.296 1.00 0.65 C ATOM 45 OG1 THR A 4 132.384 -13.669 -18.962 1.00 0.64 O ATOM 46 CG2 THR A 4 133.986 -12.937 -20.541 1.00 0.80 C ATOM 0 H THR A 4 133.356 -12.952 -16.331 1.00 0.41 H new ATOM 0 HA THR A 4 135.138 -12.103 -18.478 1.00 0.49 H new ATOM 0 HB THR A 4 132.609 -11.678 -19.505 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.821 -13.901 -19.730 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.291 -13.210 -21.335 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.589 -12.087 -20.862 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.638 -13.783 -20.323 1.00 0.80 H new ATOM 54 N TYR A 5 133.318 -9.876 -18.453 1.00 0.48 N ATOM 55 CA TYR A 5 132.943 -8.507 -18.076 1.00 0.46 C ATOM 56 C TYR A 5 132.082 -8.422 -16.809 1.00 0.42 C ATOM 57 O TYR A 5 132.255 -7.493 -16.016 1.00 0.47 O ATOM 58 CB TYR A 5 132.215 -7.833 -19.241 1.00 0.59 C ATOM 59 CG TYR A 5 131.999 -6.344 -19.056 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.023 -5.519 -18.605 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.769 -5.763 -19.338 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.827 -4.161 -18.440 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.564 -4.406 -19.176 1.00 0.90 C ATOM 64 CZ TYR A 5 131.596 -3.610 -18.727 1.00 0.65 C ATOM 65 OH TYR A 5 131.397 -2.258 -18.563 1.00 0.79 O ATOM 0 H TYR A 5 133.248 -10.061 -19.454 1.00 0.48 H new ATOM 0 HA TYR A 5 133.874 -7.988 -17.847 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.786 -7.996 -20.155 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.247 -8.315 -19.379 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.989 -5.947 -18.380 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.958 -6.383 -19.690 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.634 -3.535 -18.088 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.601 -3.972 -19.400 1.00 0.90 H new ATOM 0 HH TYR A 5 130.476 -2.031 -18.810 1.00 0.79 H new ATOM 75 N GLU A 6 131.155 -9.364 -16.608 1.00 0.48 N ATOM 76 CA GLU A 6 130.292 -9.337 -15.420 1.00 0.50 C ATOM 77 C GLU A 6 131.055 -9.740 -14.154 1.00 0.38 C ATOM 78 O GLU A 6 130.600 -9.471 -13.039 1.00 0.47 O ATOM 79 CB GLU A 6 129.082 -10.259 -15.615 1.00 0.60 C ATOM 80 CG GLU A 6 128.242 -9.916 -16.835 1.00 0.65 C ATOM 81 CD GLU A 6 127.270 -11.020 -17.206 1.00 0.82 C ATOM 82 OE1 GLU A 6 127.688 -11.973 -17.897 1.00 1.16 O ATOM 83 OE2 GLU A 6 126.089 -10.932 -16.806 1.00 0.99 O ATOM 0 H GLU A 6 130.983 -10.145 -17.242 1.00 0.48 H new ATOM 0 HA GLU A 6 129.947 -8.311 -15.292 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.431 -11.288 -15.703 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.453 -10.211 -14.726 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.687 -8.998 -16.642 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.901 -9.718 -17.681 1.00 0.65 H new ATOM 90 N GLU A 7 132.217 -10.377 -14.327 1.00 0.30 N ATOM 91 CA GLU A 7 133.037 -10.804 -13.195 1.00 0.29 C ATOM 92 C GLU A 7 133.825 -9.628 -12.624 1.00 0.28 C ATOM 93 O GLU A 7 133.848 -9.423 -11.409 1.00 0.46 O ATOM 94 CB GLU A 7 133.997 -11.922 -13.613 1.00 0.40 C ATOM 95 CG GLU A 7 134.162 -13.010 -12.563 1.00 0.56 C ATOM 96 CD GLU A 7 135.144 -12.625 -11.472 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.361 -12.826 -11.670 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.696 -12.123 -10.420 1.00 0.81 O ATOM 0 H GLU A 7 132.609 -10.607 -15.240 1.00 0.30 H new ATOM 0 HA GLU A 7 132.369 -11.186 -12.423 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.635 -12.373 -14.537 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.973 -11.488 -13.831 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.193 -13.226 -12.114 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.502 -13.927 -13.045 1.00 0.56 H new ATOM 105 N VAL A 8 134.462 -8.851 -13.504 1.00 0.34 N ATOM 106 CA VAL A 8 135.240 -7.690 -13.081 1.00 0.36 C ATOM 107 C VAL A 8 134.325 -6.572 -12.577 1.00 0.28 C ATOM 108 O VAL A 8 134.680 -5.845 -11.648 1.00 0.39 O ATOM 109 CB VAL A 8 136.137 -7.162 -14.228 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.299 -6.637 -15.387 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.092 -6.088 -13.721 1.00 0.77 C ATOM 0 H VAL A 8 134.453 -9.007 -14.512 1.00 0.34 H new ATOM 0 HA VAL A 8 135.884 -8.013 -12.263 1.00 0.36 H new ATOM 0 HB VAL A 8 136.730 -7.999 -14.597 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.957 -6.273 -16.176 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.674 -7.440 -15.777 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.666 -5.821 -15.038 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.711 -5.733 -14.545 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.519 -5.255 -13.313 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.730 -6.506 -12.942 1.00 0.77 H new ATOM 121 N LEU A 9 133.144 -6.444 -13.195 1.00 0.36 N ATOM 122 CA LEU A 9 132.176 -5.419 -12.805 1.00 0.49 C ATOM 123 C LEU A 9 131.895 -5.481 -11.304 1.00 0.53 C ATOM 124 O LEU A 9 132.034 -4.477 -10.602 1.00 0.73 O ATOM 125 CB LEU A 9 130.870 -5.583 -13.593 1.00 0.66 C ATOM 126 CG LEU A 9 130.516 -4.412 -14.513 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.395 -4.801 -15.465 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.127 -3.188 -13.695 1.00 0.72 C ATOM 0 H LEU A 9 132.839 -7.038 -13.966 1.00 0.36 H new ATOM 0 HA LEU A 9 132.605 -4.444 -13.037 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.938 -6.490 -14.194 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.053 -5.730 -12.886 1.00 0.66 H new ATOM 0 HG LEU A 9 131.396 -4.161 -15.105 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.157 -3.956 -16.111 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.713 -5.646 -16.075 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.511 -5.080 -14.892 1.00 0.86 H new ATOM 0 HD21 LEU A 9 129.879 -2.366 -14.366 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.262 -3.424 -13.075 1.00 0.72 H new ATOM 0 HD23 LEU A 9 130.961 -2.896 -13.057 1.00 0.72 H new ATOM 140 N GLN A 10 131.498 -6.661 -10.816 1.00 0.42 N ATOM 141 CA GLN A 10 131.196 -6.850 -9.395 1.00 0.49 C ATOM 142 C GLN A 10 132.427 -6.630 -8.509 1.00 0.43 C ATOM 143 O GLN A 10 132.289 -6.354 -7.317 1.00 0.50 O ATOM 144 CB GLN A 10 130.635 -8.256 -9.156 1.00 0.60 C ATOM 145 CG GLN A 10 129.302 -8.511 -9.847 1.00 0.69 C ATOM 146 CD GLN A 10 128.114 -8.223 -8.948 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.536 -7.137 -8.992 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.739 -9.199 -8.125 1.00 0.84 N ATOM 0 H GLN A 10 131.379 -7.499 -11.385 1.00 0.42 H new ATOM 0 HA GLN A 10 130.451 -6.103 -9.122 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.361 -8.991 -9.504 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.514 -8.411 -8.084 1.00 0.60 H new ATOM 0 HG2 GLN A 10 129.236 -7.890 -10.741 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.260 -9.549 -10.176 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.245 -10.084 -8.120 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.945 -9.062 -7.499 1.00 0.84 H new ATOM 157 N GLU A 11 133.626 -6.734 -9.094 1.00 0.41 N ATOM 158 CA GLU A 11 134.865 -6.522 -8.345 1.00 0.44 C ATOM 159 C GLU A 11 135.093 -5.029 -8.088 1.00 0.40 C ATOM 160 O GLU A 11 135.745 -4.653 -7.113 1.00 0.56 O ATOM 161 CB GLU A 11 136.061 -7.116 -9.098 1.00 0.52 C ATOM 162 CG GLU A 11 136.155 -8.631 -9.000 1.00 0.63 C ATOM 163 CD GLU A 11 137.158 -9.217 -9.976 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.375 -9.037 -9.757 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.728 -9.858 -10.957 1.00 1.64 O ATOM 0 H GLU A 11 133.762 -6.963 -10.079 1.00 0.41 H new ATOM 0 HA GLU A 11 134.771 -7.030 -7.385 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.995 -6.832 -10.148 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.979 -6.678 -8.707 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.437 -8.909 -7.984 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.173 -9.065 -9.189 1.00 0.63 H new ATOM 172 N LEU A 12 134.536 -4.183 -8.962 1.00 0.34 N ATOM 173 CA LEU A 12 134.660 -2.733 -8.821 1.00 0.34 C ATOM 174 C LEU A 12 133.792 -2.249 -7.658 1.00 0.31 C ATOM 175 O LEU A 12 134.265 -1.533 -6.776 1.00 0.39 O ATOM 176 CB LEU A 12 134.254 -2.027 -10.123 1.00 0.36 C ATOM 177 CG LEU A 12 135.216 -0.936 -10.613 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.087 0.319 -9.761 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.655 -1.441 -10.610 1.00 0.59 C ATOM 0 H LEU A 12 133.995 -4.481 -9.774 1.00 0.34 H new ATOM 0 HA LEU A 12 135.701 -2.488 -8.612 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.155 -2.778 -10.907 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.269 -1.582 -9.982 1.00 0.36 H new ATOM 0 HG LEU A 12 134.946 -0.683 -11.638 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.778 1.079 -10.126 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.066 0.697 -9.822 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.324 0.081 -8.724 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.319 -0.651 -10.961 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.937 -1.729 -9.597 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.739 -2.305 -11.270 1.00 0.59 H new ATOM 191 N VAL A 13 132.520 -2.664 -7.663 1.00 0.26 N ATOM 192 CA VAL A 13 131.577 -2.294 -6.606 1.00 0.26 C ATOM 193 C VAL A 13 131.924 -2.971 -5.271 1.00 0.22 C ATOM 194 O VAL A 13 131.426 -2.567 -4.219 1.00 0.24 O ATOM 195 CB VAL A 13 130.121 -2.644 -6.999 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.909 -4.153 -7.033 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.132 -1.980 -6.049 1.00 0.53 C ATOM 0 H VAL A 13 132.121 -3.258 -8.390 1.00 0.26 H new ATOM 0 HA VAL A 13 131.660 -1.214 -6.480 1.00 0.26 H new ATOM 0 HB VAL A 13 129.942 -2.259 -8.003 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.878 -4.369 -7.312 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.584 -4.599 -7.764 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.114 -4.571 -6.048 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.115 -2.239 -6.343 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.315 -2.327 -5.032 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.257 -0.898 -6.091 1.00 0.53 H new ATOM 207 N LYS A 14 132.794 -3.988 -5.318 1.00 0.24 N ATOM 208 CA LYS A 14 133.216 -4.697 -4.111 1.00 0.23 C ATOM 209 C LYS A 14 134.328 -3.921 -3.411 1.00 0.21 C ATOM 210 O LYS A 14 134.225 -3.606 -2.226 1.00 0.28 O ATOM 211 CB LYS A 14 133.697 -6.111 -4.455 1.00 0.30 C ATOM 212 CG LYS A 14 133.469 -7.121 -3.343 1.00 0.84 C ATOM 213 CD LYS A 14 134.054 -8.477 -3.699 1.00 0.68 C ATOM 214 CE LYS A 14 133.984 -9.445 -2.526 1.00 0.73 C ATOM 215 NZ LYS A 14 132.969 -10.515 -2.741 1.00 0.75 N ATOM 0 H LYS A 14 133.217 -4.335 -6.179 1.00 0.24 H new ATOM 0 HA LYS A 14 132.361 -4.777 -3.440 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.183 -6.451 -5.354 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.761 -6.076 -4.690 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.923 -6.758 -2.421 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.400 -7.222 -3.154 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.514 -8.895 -4.549 1.00 0.68 H new ATOM 0 HD3 LYS A 14 135.092 -8.356 -4.009 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.963 -9.900 -2.373 1.00 0.73 H new ATOM 0 HE3 LYS A 14 133.743 -8.895 -1.617 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.955 -11.151 -1.918 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.030 -10.084 -2.861 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.212 -11.058 -3.594 1.00 0.75 H new ATOM 229 N HIS A 15 135.387 -3.606 -4.165 1.00 0.25 N ATOM 230 CA HIS A 15 136.523 -2.851 -3.634 1.00 0.27 C ATOM 231 C HIS A 15 136.089 -1.447 -3.209 1.00 0.23 C ATOM 232 O HIS A 15 136.612 -0.893 -2.240 1.00 0.43 O ATOM 233 CB HIS A 15 137.639 -2.758 -4.682 1.00 0.33 C ATOM 234 CG HIS A 15 138.459 -4.008 -4.808 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.831 -4.024 -4.669 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.096 -5.289 -5.061 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.275 -5.258 -4.830 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.242 -6.044 -5.069 1.00 0.72 N ATOM 0 H HIS A 15 135.479 -3.864 -5.148 1.00 0.25 H new ATOM 0 HA HIS A 15 136.902 -3.378 -2.758 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.196 -2.526 -5.651 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.297 -1.928 -4.425 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.091 -5.649 -5.226 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.307 -5.570 -4.775 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.288 -7.050 -5.233 1.00 0.72 H new ATOM 247 N LYS A 16 135.125 -0.880 -3.942 1.00 0.21 N ATOM 248 CA LYS A 16 134.613 0.456 -3.650 1.00 0.25 C ATOM 249 C LYS A 16 133.802 0.469 -2.355 1.00 0.32 C ATOM 250 O LYS A 16 133.987 1.352 -1.515 1.00 0.62 O ATOM 251 CB LYS A 16 133.754 0.965 -4.814 1.00 0.37 C ATOM 252 CG LYS A 16 134.570 1.543 -5.961 1.00 0.50 C ATOM 253 CD LYS A 16 133.678 2.022 -7.096 1.00 0.57 C ATOM 254 CE LYS A 16 133.057 3.376 -6.786 1.00 0.59 C ATOM 255 NZ LYS A 16 131.593 3.275 -6.532 1.00 0.66 N ATOM 0 H LYS A 16 134.684 -1.331 -4.744 1.00 0.21 H new ATOM 0 HA LYS A 16 135.468 1.120 -3.521 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.143 0.145 -5.190 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.070 1.729 -4.444 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.174 2.374 -5.596 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.261 0.787 -6.334 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.261 2.090 -8.014 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.889 1.291 -7.273 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.547 3.808 -5.913 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.234 4.055 -7.620 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.211 4.220 -6.325 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.121 2.887 -7.373 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.424 2.648 -5.720 1.00 0.66 H new ATOM 269 N GLU A 17 132.910 -0.513 -2.188 1.00 0.32 N ATOM 270 CA GLU A 17 132.084 -0.602 -0.983 1.00 0.39 C ATOM 271 C GLU A 17 132.923 -1.000 0.232 1.00 0.32 C ATOM 272 O GLU A 17 132.657 -0.550 1.348 1.00 0.40 O ATOM 273 CB GLU A 17 130.948 -1.607 -1.193 1.00 0.51 C ATOM 274 CG GLU A 17 129.920 -1.615 -0.070 1.00 0.80 C ATOM 275 CD GLU A 17 130.012 -2.855 0.800 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.834 -2.862 1.741 1.00 1.47 O ATOM 277 OE2 GLU A 17 129.261 -3.819 0.541 1.00 1.43 O ATOM 0 H GLU A 17 132.743 -1.253 -2.869 1.00 0.32 H new ATOM 0 HA GLU A 17 131.657 0.383 -0.792 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.444 -1.381 -2.133 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.373 -2.606 -1.292 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.059 -0.730 0.551 1.00 0.80 H new ATOM 0 HG3 GLU A 17 128.920 -1.550 -0.498 1.00 0.80 H new ATOM 284 N LEU A 18 133.945 -1.831 0.008 1.00 0.32 N ATOM 285 CA LEU A 18 134.831 -2.269 1.087 1.00 0.34 C ATOM 286 C LEU A 18 135.567 -1.072 1.681 1.00 0.33 C ATOM 287 O LEU A 18 135.760 -0.989 2.896 1.00 0.66 O ATOM 288 CB LEU A 18 135.838 -3.301 0.572 1.00 0.53 C ATOM 289 CG LEU A 18 135.444 -4.764 0.795 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.121 -5.661 -0.232 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.796 -5.203 2.211 1.00 0.79 C ATOM 0 H LEU A 18 134.178 -2.212 -0.909 1.00 0.32 H new ATOM 0 HA LEU A 18 134.224 -2.734 1.864 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.985 -3.140 -0.496 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.798 -3.122 1.057 1.00 0.53 H new ATOM 0 HG LEU A 18 134.365 -4.854 0.669 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.830 -6.697 -0.059 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.816 -5.361 -1.234 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.203 -5.568 -0.139 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.509 -6.245 2.351 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.870 -5.098 2.368 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.262 -4.580 2.928 1.00 0.79 H new ATOM 303 N LEU A 19 135.954 -0.136 0.811 1.00 0.43 N ATOM 304 CA LEU A 19 136.647 1.076 1.234 1.00 0.44 C ATOM 305 C LEU A 19 135.722 1.952 2.081 1.00 0.30 C ATOM 306 O LEU A 19 136.175 2.644 2.993 1.00 0.45 O ATOM 307 CB LEU A 19 137.142 1.862 0.014 1.00 0.57 C ATOM 308 CG LEU A 19 138.497 1.411 -0.542 1.00 0.76 C ATOM 309 CD1 LEU A 19 138.548 1.594 -2.052 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.628 2.177 0.129 1.00 0.94 C ATOM 0 H LEU A 19 135.797 -0.198 -0.195 1.00 0.43 H new ATOM 0 HA LEU A 19 137.507 0.787 1.838 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.397 1.782 -0.777 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.209 2.916 0.283 1.00 0.57 H new ATOM 0 HG LEU A 19 138.621 0.350 -0.324 1.00 0.76 H new ATOM 0 HD11 LEU A 19 139.519 1.268 -2.425 1.00 0.88 H new ATOM 0 HD12 LEU A 19 137.762 1.000 -2.517 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.400 2.646 -2.296 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.583 1.845 -0.277 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.506 3.244 -0.058 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.606 1.992 1.203 1.00 0.94 H new ATOM 322 N ARG A 20 134.419 1.910 1.772 1.00 0.32 N ATOM 323 CA ARG A 20 133.425 2.693 2.503 1.00 0.50 C ATOM 324 C ARG A 20 133.388 2.292 3.976 1.00 0.40 C ATOM 325 O ARG A 20 133.625 3.128 4.849 1.00 0.47 O ATOM 326 CB ARG A 20 132.040 2.520 1.870 1.00 0.78 C ATOM 327 CG ARG A 20 131.174 3.769 1.945 1.00 0.89 C ATOM 328 CD ARG A 20 130.882 4.332 0.562 1.00 0.98 C ATOM 329 NE ARG A 20 131.627 5.565 0.300 1.00 1.06 N ATOM 330 CZ ARG A 20 131.254 6.494 -0.585 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.147 6.336 -1.307 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.993 7.586 -0.749 1.00 1.60 N ATOM 0 H ARG A 20 134.033 1.340 1.019 1.00 0.32 H new ATOM 0 HA ARG A 20 133.711 3.743 2.444 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.161 2.234 0.825 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.523 1.699 2.367 1.00 0.78 H new ATOM 0 HG2 ARG A 20 130.236 3.533 2.448 1.00 0.89 H new ATOM 0 HG3 ARG A 20 131.677 4.525 2.548 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.137 3.588 -0.193 1.00 0.98 H new ATOM 0 HD3 ARG A 20 129.814 4.528 0.469 1.00 0.98 H new ATOM 0 HE ARG A 20 132.486 5.725 0.827 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.575 5.500 -1.187 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.871 7.051 -1.980 1.00 1.74 H new ATOM 0 HH21 ARG A 20 132.843 7.714 -0.200 1.00 1.60 H new ATOM 0 HH22 ARG A 20 131.710 8.297 -1.424 1.00 1.60 H new ATOM 346 N ARG A 21 133.078 1.019 4.258 1.00 0.36 N ATOM 347 CA ARG A 21 133.003 0.528 5.637 1.00 0.37 C ATOM 348 C ARG A 21 134.291 0.809 6.412 1.00 0.35 C ATOM 349 O ARG A 21 134.239 1.191 7.577 1.00 0.49 O ATOM 350 CB ARG A 21 132.703 -0.973 5.653 1.00 0.47 C ATOM 351 CG ARG A 21 131.227 -1.297 5.480 1.00 0.71 C ATOM 352 CD ARG A 21 131.014 -2.738 5.040 1.00 0.94 C ATOM 353 NE ARG A 21 130.451 -3.562 6.110 1.00 0.95 N ATOM 354 CZ ARG A 21 131.181 -4.224 7.013 1.00 1.19 C ATOM 355 NH1 ARG A 21 132.511 -4.171 6.982 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.576 -4.942 7.953 1.00 1.50 N ATOM 0 H ARG A 21 132.876 0.313 3.550 1.00 0.36 H new ATOM 0 HA ARG A 21 132.192 1.065 6.129 1.00 0.37 H new ATOM 0 HB2 ARG A 21 133.269 -1.457 4.857 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.052 -1.395 6.595 1.00 0.47 H new ATOM 0 HG2 ARG A 21 130.704 -1.123 6.420 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.791 -0.623 4.743 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.347 -2.759 4.178 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.965 -3.163 4.718 1.00 0.94 H new ATOM 0 HE ARG A 21 129.436 -3.636 6.171 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.983 -3.621 6.264 1.00 2.03 H new ATOM 0 HH12 ARG A 21 133.058 -4.680 7.676 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.557 -4.987 7.984 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.130 -5.448 8.644 1.00 1.50 H new ATOM 370 N LYS A 22 135.442 0.634 5.759 1.00 0.33 N ATOM 371 CA LYS A 22 136.737 0.892 6.399 1.00 0.41 C ATOM 372 C LYS A 22 136.848 2.356 6.843 1.00 0.34 C ATOM 373 O LYS A 22 137.601 2.682 7.762 1.00 0.36 O ATOM 374 CB LYS A 22 137.878 0.552 5.436 1.00 0.56 C ATOM 375 CG LYS A 22 139.183 0.211 6.135 1.00 0.77 C ATOM 376 CD LYS A 22 140.268 -0.169 5.139 1.00 0.95 C ATOM 377 CE LYS A 22 141.436 0.806 5.182 1.00 0.76 C ATOM 378 NZ LYS A 22 142.648 0.201 5.802 1.00 0.71 N ATOM 0 H LYS A 22 135.506 0.316 4.792 1.00 0.33 H new ATOM 0 HA LYS A 22 136.811 0.258 7.283 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.578 -0.291 4.814 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.043 1.398 4.769 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.514 1.065 6.726 1.00 0.77 H new ATOM 0 HG3 LYS A 22 139.020 -0.614 6.829 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.626 -1.175 5.356 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.848 -0.190 4.133 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.672 1.133 4.169 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.146 1.694 5.744 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.419 0.899 5.811 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.431 -0.088 6.777 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.941 -0.631 5.251 1.00 0.71 H new ATOM 392 N ASP A 23 136.072 3.223 6.190 1.00 0.34 N ATOM 393 CA ASP A 23 136.044 4.647 6.508 1.00 0.32 C ATOM 394 C ASP A 23 134.957 4.966 7.541 1.00 0.29 C ATOM 395 O ASP A 23 135.074 5.940 8.287 1.00 0.34 O ATOM 396 CB ASP A 23 135.829 5.468 5.233 1.00 0.37 C ATOM 397 CG ASP A 23 137.137 5.844 4.561 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.699 4.994 3.838 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.600 6.986 4.759 1.00 1.15 O ATOM 0 H ASP A 23 135.448 2.956 5.428 1.00 0.34 H new ATOM 0 HA ASP A 23 137.006 4.915 6.944 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.216 4.897 4.535 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.275 6.374 5.477 1.00 0.37 H new ATOM 404 N THR A 24 133.900 4.145 7.582 1.00 0.27 N ATOM 405 CA THR A 24 132.799 4.348 8.527 1.00 0.28 C ATOM 406 C THR A 24 133.040 3.604 9.845 1.00 0.27 C ATOM 407 O THR A 24 132.549 4.024 10.892 1.00 0.32 O ATOM 408 CB THR A 24 131.469 3.897 7.912 1.00 0.31 C ATOM 409 OG1 THR A 24 131.358 4.332 6.566 1.00 0.52 O ATOM 410 CG2 THR A 24 130.260 4.415 8.665 1.00 0.53 C ATOM 0 H THR A 24 133.786 3.336 6.972 1.00 0.27 H new ATOM 0 HA THR A 24 132.751 5.415 8.743 1.00 0.28 H new ATOM 0 HB THR A 24 131.479 2.809 7.970 1.00 0.31 H new ATOM 0 HG1 THR A 24 131.981 3.824 6.006 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.350 4.061 8.180 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.288 4.052 9.692 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.271 5.505 8.665 1.00 0.53 H new ATOM 418 N HIS A 25 133.804 2.508 9.791 1.00 0.27 N ATOM 419 CA HIS A 25 134.111 1.724 10.990 1.00 0.31 C ATOM 420 C HIS A 25 135.048 2.509 11.899 1.00 0.33 C ATOM 421 O HIS A 25 134.919 2.471 13.123 1.00 0.43 O ATOM 422 CB HIS A 25 134.740 0.375 10.621 1.00 0.37 C ATOM 423 CG HIS A 25 134.189 -0.773 11.410 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.509 -1.003 12.732 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.326 -1.756 11.059 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.867 -2.076 13.159 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.142 -2.551 12.163 1.00 0.75 N ATOM 0 H HIS A 25 134.219 2.145 8.933 1.00 0.27 H new ATOM 0 HA HIS A 25 133.178 1.529 11.519 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.581 0.186 9.559 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.817 0.430 10.777 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.868 -1.890 10.090 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.925 -2.493 14.153 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.542 -3.375 12.207 1.00 0.75 H new ATOM 436 N ILE A 26 135.976 3.241 11.285 1.00 0.31 N ATOM 437 CA ILE A 26 136.923 4.068 12.025 1.00 0.35 C ATOM 438 C ILE A 26 136.216 5.288 12.628 1.00 0.34 C ATOM 439 O ILE A 26 136.720 5.906 13.567 1.00 0.46 O ATOM 440 CB ILE A 26 138.090 4.539 11.125 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.561 5.213 9.854 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.994 3.363 10.774 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.570 6.121 9.185 1.00 0.68 C ATOM 0 H ILE A 26 136.091 3.277 10.272 1.00 0.31 H new ATOM 0 HA ILE A 26 137.333 3.454 12.827 1.00 0.35 H new ATOM 0 HB ILE A 26 138.675 5.274 11.677 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.252 4.444 9.147 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.672 5.793 10.103 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.811 3.708 10.140 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.401 2.932 11.688 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.417 2.607 10.242 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.126 6.563 8.293 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.861 6.912 9.876 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.450 5.542 8.904 1.00 0.68 H new ATOM 455 N ARG A 27 135.039 5.619 12.082 1.00 0.29 N ATOM 456 CA ARG A 27 134.250 6.751 12.559 1.00 0.35 C ATOM 457 C ARG A 27 133.302 6.324 13.681 1.00 0.34 C ATOM 458 O ARG A 27 133.187 7.014 14.695 1.00 0.39 O ATOM 459 CB ARG A 27 133.452 7.362 11.404 1.00 0.44 C ATOM 460 CG ARG A 27 132.928 8.758 11.695 1.00 0.52 C ATOM 461 CD ARG A 27 132.120 9.301 10.528 1.00 0.81 C ATOM 462 NE ARG A 27 131.312 10.458 10.912 1.00 0.91 N ATOM 463 CZ ARG A 27 130.128 10.375 11.525 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.600 9.190 11.824 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.469 11.485 11.841 1.00 1.68 N ATOM 0 H ARG A 27 134.614 5.113 11.305 1.00 0.29 H new ATOM 0 HA ARG A 27 134.936 7.499 12.956 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.084 7.398 10.517 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.611 6.709 11.170 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.307 8.736 12.591 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.764 9.426 11.903 1.00 0.52 H new ATOM 0 HD2 ARG A 27 132.795 9.582 9.720 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.469 8.517 10.141 1.00 0.81 H new ATOM 0 HE ARG A 27 131.675 11.387 10.698 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.100 8.334 11.585 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.695 9.138 12.292 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.868 12.396 11.615 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.565 11.425 12.309 1.00 1.68 H new ATOM 479 N GLU A 28 132.629 5.179 13.501 1.00 0.33 N ATOM 480 CA GLU A 28 131.704 4.675 14.517 1.00 0.38 C ATOM 481 C GLU A 28 132.465 4.309 15.790 1.00 0.37 C ATOM 482 O GLU A 28 132.069 4.702 16.890 1.00 0.47 O ATOM 483 CB GLU A 28 130.896 3.474 13.996 1.00 0.48 C ATOM 484 CG GLU A 28 131.739 2.300 13.514 1.00 0.81 C ATOM 485 CD GLU A 28 131.891 1.208 14.560 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.872 0.814 15.168 1.00 1.66 O ATOM 487 OE2 GLU A 28 133.031 0.744 14.770 1.00 1.85 O ATOM 0 H GLU A 28 132.708 4.592 12.670 1.00 0.33 H new ATOM 0 HA GLU A 28 130.994 5.468 14.751 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.234 3.127 14.790 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.261 3.809 13.176 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.284 1.877 12.619 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.727 2.662 13.229 1.00 0.81 H new ATOM 494 N LEU A 29 133.567 3.564 15.637 1.00 0.34 N ATOM 495 CA LEU A 29 134.392 3.160 16.776 1.00 0.38 C ATOM 496 C LEU A 29 135.006 4.378 17.477 1.00 0.42 C ATOM 497 O LEU A 29 135.474 4.272 18.612 1.00 0.80 O ATOM 498 CB LEU A 29 135.499 2.201 16.324 1.00 0.48 C ATOM 499 CG LEU A 29 135.714 0.986 17.231 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.606 -0.307 16.434 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.064 1.074 17.932 1.00 0.58 C ATOM 0 H LEU A 29 133.906 3.230 14.735 1.00 0.34 H new ATOM 0 HA LEU A 29 133.746 2.646 17.488 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.266 1.849 15.319 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.435 2.756 16.258 1.00 0.48 H new ATOM 0 HG LEU A 29 134.932 0.984 17.991 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.762 -1.158 17.098 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.616 -0.375 15.983 1.00 0.84 H new ATOM 0 HD13 LEU A 29 136.363 -0.315 15.650 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.199 0.202 18.572 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.859 1.104 17.187 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.101 1.979 18.539 1.00 0.58 H new ATOM 513 N GLU A 30 134.968 5.539 16.811 1.00 0.42 N ATOM 514 CA GLU A 30 135.486 6.773 17.392 1.00 0.46 C ATOM 515 C GLU A 30 134.506 7.271 18.447 1.00 0.46 C ATOM 516 O GLU A 30 134.865 7.422 19.614 1.00 0.61 O ATOM 517 CB GLU A 30 135.704 7.842 16.315 1.00 0.51 C ATOM 518 CG GLU A 30 137.148 8.302 16.198 1.00 0.57 C ATOM 519 CD GLU A 30 137.672 8.918 17.483 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.456 10.131 17.692 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.295 8.186 18.282 1.00 1.33 O ATOM 0 H GLU A 30 134.584 5.644 15.872 1.00 0.42 H new ATOM 0 HA GLU A 30 136.453 6.572 17.853 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.378 7.448 15.352 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.074 8.703 16.537 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.775 7.453 15.925 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.229 9.030 15.391 1.00 0.57 H new ATOM 528 N ASP A 31 133.258 7.502 18.021 1.00 0.43 N ATOM 529 CA ASP A 31 132.202 7.953 18.924 1.00 0.58 C ATOM 530 C ASP A 31 132.058 6.984 20.099 1.00 0.59 C ATOM 531 O ASP A 31 131.718 7.391 21.211 1.00 0.78 O ATOM 532 CB ASP A 31 130.872 8.072 18.174 1.00 0.71 C ATOM 533 CG ASP A 31 130.358 9.497 18.134 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.787 9.951 19.148 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.527 10.160 17.089 1.00 1.73 O ATOM 0 H ASP A 31 132.958 7.382 17.053 1.00 0.43 H new ATOM 0 HA ASP A 31 132.474 8.935 19.310 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.998 7.705 17.155 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.129 7.434 18.653 1.00 0.71 H new ATOM 540 N TYR A 32 132.344 5.702 19.845 1.00 0.51 N ATOM 541 CA TYR A 32 132.274 4.676 20.883 1.00 0.56 C ATOM 542 C TYR A 32 133.326 4.949 21.955 1.00 0.55 C ATOM 543 O TYR A 32 133.038 4.890 23.152 1.00 0.64 O ATOM 544 CB TYR A 32 132.482 3.282 20.280 1.00 0.61 C ATOM 545 CG TYR A 32 131.196 2.515 20.066 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.346 2.240 21.130 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.832 2.067 18.802 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.170 1.541 20.941 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.656 1.369 18.605 1.00 1.19 C ATOM 550 CZ TYR A 32 128.830 1.108 19.677 1.00 1.23 C ATOM 551 OH TYR A 32 127.658 0.413 19.485 1.00 1.55 O ATOM 0 H TYR A 32 132.626 5.354 18.929 1.00 0.51 H new ATOM 0 HA TYR A 32 131.284 4.708 21.338 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.998 3.382 19.325 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.134 2.705 20.936 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.609 2.578 22.121 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.478 2.268 17.960 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.520 1.335 21.779 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.385 1.030 17.616 1.00 1.19 H new ATOM 0 HH TYR A 32 127.566 0.181 18.537 1.00 1.55 H new ATOM 561 N ILE A 33 134.541 5.275 21.508 1.00 0.53 N ATOM 562 CA ILE A 33 135.641 5.590 22.414 1.00 0.62 C ATOM 563 C ILE A 33 135.378 6.916 23.129 1.00 0.58 C ATOM 564 O ILE A 33 135.662 7.049 24.319 1.00 0.77 O ATOM 565 CB ILE A 33 136.991 5.674 21.662 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.366 4.306 21.086 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.094 6.187 22.581 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.304 4.386 19.900 1.00 0.85 C ATOM 0 H ILE A 33 134.786 5.327 20.519 1.00 0.53 H new ATOM 0 HA ILE A 33 135.702 4.783 23.145 1.00 0.62 H new ATOM 0 HB ILE A 33 136.880 6.380 20.839 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.832 3.707 21.868 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.457 3.786 20.785 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.033 6.237 22.030 1.00 0.94 H new ATOM 0 HG22 ILE A 33 137.832 7.181 22.944 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.206 5.510 23.428 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.527 3.380 19.544 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.832 4.958 19.101 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.229 4.878 20.200 1.00 0.85 H new ATOM 580 N ASP A 34 134.852 7.896 22.378 1.00 0.49 N ATOM 581 CA ASP A 34 134.552 9.232 22.905 1.00 0.54 C ATOM 582 C ASP A 34 133.991 9.194 24.328 1.00 0.44 C ATOM 583 O ASP A 34 134.303 10.065 25.128 1.00 0.47 O ATOM 584 CB ASP A 34 133.565 9.952 21.981 1.00 0.75 C ATOM 585 CG ASP A 34 134.263 10.853 20.979 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.542 12.020 21.324 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.534 10.389 19.851 1.00 1.49 O ATOM 0 H ASP A 34 134.624 7.783 21.390 1.00 0.49 H new ATOM 0 HA ASP A 34 135.496 9.776 22.943 1.00 0.54 H new ATOM 0 HB2 ASP A 34 132.967 9.214 21.447 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.876 10.546 22.582 1.00 0.75 H new ATOM 592 N ASN A 35 133.170 8.184 24.640 1.00 0.53 N ATOM 593 CA ASN A 35 132.577 8.044 25.976 1.00 0.57 C ATOM 594 C ASN A 35 133.587 8.386 27.076 1.00 0.47 C ATOM 595 O ASN A 35 133.241 9.043 28.059 1.00 0.58 O ATOM 596 CB ASN A 35 132.050 6.620 26.180 1.00 0.74 C ATOM 597 CG ASN A 35 130.645 6.437 25.633 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.685 7.001 26.159 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.516 5.646 24.573 1.00 1.32 N ATOM 0 H ASN A 35 132.901 7.450 23.984 1.00 0.53 H new ATOM 0 HA ASN A 35 131.748 8.748 26.044 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.722 5.914 25.692 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.056 6.382 27.244 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.595 5.487 24.164 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.338 5.198 24.168 1.00 1.32 H new ATOM 606 N LEU A 36 134.839 7.954 26.892 1.00 0.42 N ATOM 607 CA LEU A 36 135.901 8.233 27.859 1.00 0.47 C ATOM 608 C LEU A 36 136.189 9.735 27.917 1.00 0.42 C ATOM 609 O LEU A 36 136.261 10.320 28.999 1.00 0.53 O ATOM 610 CB LEU A 36 137.182 7.469 27.495 1.00 0.66 C ATOM 611 CG LEU A 36 136.992 5.988 27.142 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.303 5.380 26.663 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.446 5.215 28.336 1.00 1.66 C ATOM 0 H LEU A 36 135.140 7.411 26.083 1.00 0.42 H new ATOM 0 HA LEU A 36 135.563 7.899 28.840 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.654 7.968 26.649 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.876 7.538 28.333 1.00 0.66 H new ATOM 0 HG LEU A 36 136.266 5.920 26.332 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.149 4.329 26.417 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.649 5.913 25.777 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.052 5.462 27.451 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.319 4.167 28.064 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.145 5.291 29.169 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.483 5.633 28.630 1.00 1.66 H new ATOM 625 N LEU A 37 136.340 10.352 26.741 1.00 0.36 N ATOM 626 CA LEU A 37 136.605 11.787 26.642 1.00 0.40 C ATOM 627 C LEU A 37 135.476 12.498 25.881 1.00 0.32 C ATOM 628 O LEU A 37 135.704 13.124 24.842 1.00 0.42 O ATOM 629 CB LEU A 37 137.955 12.030 25.954 1.00 0.56 C ATOM 630 CG LEU A 37 138.104 11.406 24.561 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.922 12.312 23.652 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.741 10.025 24.657 1.00 0.63 C ATOM 0 H LEU A 37 136.282 9.875 25.841 1.00 0.36 H new ATOM 0 HA LEU A 37 136.647 12.201 27.650 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.113 13.105 25.871 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.746 11.640 26.595 1.00 0.56 H new ATOM 0 HG LEU A 37 137.110 11.295 24.128 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.016 11.851 22.669 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.423 13.276 23.555 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.913 12.458 24.081 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.838 9.599 23.658 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.727 10.110 25.113 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.114 9.377 25.269 1.00 0.63 H new ATOM 644 N VAL A 38 134.254 12.385 26.413 1.00 0.29 N ATOM 645 CA VAL A 38 133.065 12.999 25.812 1.00 0.41 C ATOM 646 C VAL A 38 131.965 13.178 26.867 1.00 0.38 C ATOM 647 O VAL A 38 132.160 12.832 28.035 1.00 0.61 O ATOM 648 CB VAL A 38 132.532 12.172 24.612 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.529 11.115 25.061 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.919 13.084 23.556 1.00 0.99 C ATOM 0 H VAL A 38 134.062 11.867 27.270 1.00 0.29 H new ATOM 0 HA VAL A 38 133.358 13.978 25.432 1.00 0.41 H new ATOM 0 HB VAL A 38 133.381 11.653 24.168 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.177 10.556 24.194 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.009 10.433 25.763 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.683 11.600 25.548 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.552 12.482 22.724 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.091 13.642 23.993 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.675 13.781 23.194 1.00 0.99 H new ATOM 660 N ARG A 39 130.805 13.697 26.456 1.00 0.44 N ATOM 661 CA ARG A 39 129.686 13.887 27.376 1.00 0.47 C ATOM 662 C ARG A 39 129.030 12.543 27.697 1.00 0.53 C ATOM 663 O ARG A 39 128.389 11.934 26.837 1.00 0.86 O ATOM 664 CB ARG A 39 128.657 14.853 26.771 1.00 0.59 C ATOM 665 CG ARG A 39 127.311 14.857 27.484 1.00 0.75 C ATOM 666 CD ARG A 39 127.325 15.764 28.705 1.00 0.97 C ATOM 667 NE ARG A 39 126.779 17.090 28.413 1.00 0.93 N ATOM 668 CZ ARG A 39 126.898 18.143 29.225 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.541 18.033 30.385 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.369 19.311 28.875 1.00 1.48 N ATOM 0 H ARG A 39 130.619 13.991 25.497 1.00 0.44 H new ATOM 0 HA ARG A 39 130.065 14.319 28.302 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.068 15.862 26.789 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.501 14.591 25.725 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.534 15.187 26.794 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.057 13.841 27.788 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.746 15.303 29.505 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.348 15.866 29.069 1.00 0.97 H new ATOM 0 HE ARG A 39 126.276 17.218 27.535 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.948 17.139 30.660 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.627 18.843 30.999 1.00 1.27 H new ATOM 0 HH21 ARG A 39 125.874 19.401 27.988 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.458 20.117 29.493 1.00 1.48 H new ATOM 684 N VAL A 40 129.201 12.084 28.936 1.00 0.46 N ATOM 685 CA VAL A 40 128.631 10.809 29.369 1.00 0.53 C ATOM 686 C VAL A 40 127.192 10.978 29.853 1.00 0.53 C ATOM 687 O VAL A 40 126.816 12.040 30.355 1.00 0.66 O ATOM 688 CB VAL A 40 129.469 10.153 30.491 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.807 9.672 29.949 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.671 11.114 31.657 1.00 0.78 C ATOM 0 H VAL A 40 129.729 12.575 29.657 1.00 0.46 H new ATOM 0 HA VAL A 40 128.643 10.156 28.496 1.00 0.53 H new ATOM 0 HB VAL A 40 128.919 9.288 30.862 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.382 9.214 30.754 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.638 8.939 29.160 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.361 10.519 29.544 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.263 10.627 32.432 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.193 12.005 31.308 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.702 11.398 32.067 1.00 0.78 H new ATOM 700 N MET A 41 126.392 9.922 29.696 1.00 0.53 N ATOM 701 CA MET A 41 124.992 9.945 30.115 1.00 0.60 C ATOM 702 C MET A 41 124.690 8.790 31.066 1.00 0.86 C ATOM 703 O MET A 41 124.098 8.986 32.128 1.00 1.20 O ATOM 704 CB MET A 41 124.067 9.875 28.895 1.00 0.75 C ATOM 705 CG MET A 41 124.343 8.692 27.977 1.00 0.56 C ATOM 706 SD MET A 41 122.905 8.226 26.992 1.00 0.67 S ATOM 707 CE MET A 41 122.863 9.560 25.798 1.00 0.54 C ATOM 0 H MET A 41 126.691 9.040 29.281 1.00 0.53 H new ATOM 0 HA MET A 41 124.813 10.882 30.642 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.034 9.823 29.238 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.167 10.797 28.323 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.170 8.939 27.311 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.660 7.838 28.576 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.025 9.412 25.117 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.745 10.510 26.318 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.794 9.570 25.231 1.00 0.54 H new ATOM 718 N GLY B 1 135.446 4.757 -27.299 1.00 0.61 N ATOM 719 CA GLY B 1 136.689 4.135 -27.838 1.00 0.61 C ATOM 720 C GLY B 1 137.049 2.842 -27.128 1.00 0.52 C ATOM 721 O GLY B 1 136.852 1.754 -27.673 1.00 0.60 O ATOM 0 H1 GLY B 1 135.245 5.636 -27.817 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.650 4.098 -27.413 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.575 4.972 -26.290 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.560 3.937 -28.902 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.515 4.840 -27.742 1.00 0.61 H new ATOM 727 N SER B 2 137.574 2.962 -25.909 1.00 0.50 N ATOM 728 CA SER B 2 137.961 1.796 -25.114 1.00 0.49 C ATOM 729 C SER B 2 137.173 1.728 -23.808 1.00 0.47 C ATOM 730 O SER B 2 137.645 1.157 -22.823 1.00 0.63 O ATOM 731 CB SER B 2 139.465 1.828 -24.825 1.00 0.55 C ATOM 732 OG SER B 2 140.216 1.503 -25.982 1.00 0.67 O ATOM 0 H SER B 2 137.742 3.857 -25.449 1.00 0.50 H new ATOM 0 HA SER B 2 137.728 0.902 -25.693 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.749 2.819 -24.470 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.700 1.124 -24.026 1.00 0.55 H new ATOM 0 HG SER B 2 141.172 1.533 -25.770 1.00 0.67 H new ATOM 738 N LEU B 3 135.956 2.281 -23.812 1.00 0.48 N ATOM 739 CA LEU B 3 135.095 2.245 -22.635 1.00 0.55 C ATOM 740 C LEU B 3 134.359 0.909 -22.601 1.00 0.65 C ATOM 741 O LEU B 3 133.129 0.848 -22.676 1.00 1.02 O ATOM 742 CB LEU B 3 134.107 3.417 -22.650 1.00 0.62 C ATOM 743 CG LEU B 3 134.670 4.742 -22.129 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.272 5.554 -23.267 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.586 5.536 -21.414 1.00 0.76 C ATOM 0 H LEU B 3 135.549 2.757 -24.617 1.00 0.48 H new ATOM 0 HA LEU B 3 135.703 2.343 -21.735 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.757 3.565 -23.672 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.237 3.148 -22.050 1.00 0.62 H new ATOM 0 HG LEU B 3 135.462 4.522 -21.413 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.666 6.492 -22.876 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.078 4.987 -23.732 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.503 5.766 -24.010 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.003 6.475 -21.050 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.771 5.745 -22.107 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.206 4.957 -20.572 1.00 0.76 H new ATOM 757 N THR B 4 135.143 -0.164 -22.513 1.00 0.46 N ATOM 758 CA THR B 4 134.627 -1.525 -22.492 1.00 0.55 C ATOM 759 C THR B 4 135.468 -2.377 -21.535 1.00 0.42 C ATOM 760 O THR B 4 136.109 -1.837 -20.635 1.00 0.43 O ATOM 761 CB THR B 4 134.643 -2.104 -23.917 1.00 0.72 C ATOM 762 OG1 THR B 4 135.789 -1.669 -24.628 1.00 0.70 O ATOM 763 CG2 THR B 4 133.427 -1.716 -24.733 1.00 0.90 C ATOM 0 H THR B 4 136.160 -0.110 -22.454 1.00 0.46 H new ATOM 0 HA THR B 4 133.597 -1.528 -22.135 1.00 0.55 H new ATOM 0 HB THR B 4 134.648 -3.186 -23.786 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.779 -2.051 -25.530 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.500 -2.157 -25.727 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.526 -2.081 -24.240 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.378 -0.631 -24.820 1.00 0.90 H new ATOM 771 N TYR B 5 135.432 -3.700 -21.701 1.00 0.50 N ATOM 772 CA TYR B 5 136.166 -4.631 -20.832 1.00 0.45 C ATOM 773 C TYR B 5 137.593 -4.174 -20.493 1.00 0.41 C ATOM 774 O TYR B 5 138.048 -4.382 -19.366 1.00 0.46 O ATOM 775 CB TYR B 5 136.209 -6.017 -21.481 1.00 0.57 C ATOM 776 CG TYR B 5 136.727 -7.111 -20.568 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.283 -7.222 -19.256 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.659 -8.035 -21.024 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.753 -8.222 -18.425 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.133 -9.038 -20.199 1.00 0.92 C ATOM 781 CZ TYR B 5 137.677 -9.127 -18.901 1.00 0.67 C ATOM 782 OH TYR B 5 138.148 -10.123 -18.076 1.00 0.84 O ATOM 0 H TYR B 5 134.896 -4.159 -22.438 1.00 0.50 H new ATOM 0 HA TYR B 5 135.622 -4.661 -19.888 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.206 -6.282 -21.815 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.839 -5.971 -22.369 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.559 -6.515 -18.879 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.019 -7.969 -22.040 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.398 -8.294 -17.408 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.857 -9.748 -20.570 1.00 0.92 H new ATOM 0 HH TYR B 5 138.792 -10.676 -18.566 1.00 0.84 H new ATOM 792 N GLU B 6 138.307 -3.566 -21.448 1.00 0.49 N ATOM 793 CA GLU B 6 139.679 -3.111 -21.195 1.00 0.50 C ATOM 794 C GLU B 6 139.711 -1.864 -20.304 1.00 0.38 C ATOM 795 O GLU B 6 140.751 -1.535 -19.728 1.00 0.44 O ATOM 796 CB GLU B 6 140.402 -2.823 -22.516 1.00 0.62 C ATOM 797 CG GLU B 6 140.451 -4.015 -23.459 1.00 0.68 C ATOM 798 CD GLU B 6 140.854 -3.628 -24.870 1.00 0.83 C ATOM 799 OE1 GLU B 6 139.973 -3.192 -25.641 1.00 1.14 O ATOM 800 OE2 GLU B 6 142.050 -3.762 -25.204 1.00 1.01 O ATOM 0 H GLU B 6 137.964 -3.380 -22.390 1.00 0.49 H new ATOM 0 HA GLU B 6 140.194 -3.915 -20.669 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.905 -1.994 -23.019 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.420 -2.500 -22.300 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.157 -4.750 -23.073 1.00 0.68 H new ATOM 0 HG3 GLU B 6 139.472 -4.495 -23.483 1.00 0.68 H new ATOM 807 N GLU B 7 138.569 -1.181 -20.183 1.00 0.32 N ATOM 808 CA GLU B 7 138.472 0.017 -19.352 1.00 0.29 C ATOM 809 C GLU B 7 138.343 -0.355 -17.877 1.00 0.27 C ATOM 810 O GLU B 7 139.042 0.203 -17.028 1.00 0.43 O ATOM 811 CB GLU B 7 137.279 0.877 -19.780 1.00 0.43 C ATOM 812 CG GLU B 7 137.562 2.371 -19.750 1.00 0.57 C ATOM 813 CD GLU B 7 137.442 2.962 -18.358 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.313 3.311 -17.956 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.479 3.077 -17.670 1.00 0.80 O ATOM 0 H GLU B 7 137.700 -1.439 -20.651 1.00 0.32 H new ATOM 0 HA GLU B 7 139.387 0.593 -19.488 1.00 0.29 H new ATOM 0 HB2 GLU B 7 136.981 0.593 -20.789 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.434 0.663 -19.125 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.566 2.554 -20.133 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.868 2.881 -20.418 1.00 0.57 H new ATOM 822 N VAL B 8 137.455 -1.307 -17.575 1.00 0.35 N ATOM 823 CA VAL B 8 137.249 -1.757 -16.201 1.00 0.37 C ATOM 824 C VAL B 8 138.455 -2.555 -15.700 1.00 0.28 C ATOM 825 O VAL B 8 138.806 -2.482 -14.521 1.00 0.40 O ATOM 826 CB VAL B 8 135.960 -2.606 -16.071 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.071 -3.901 -16.866 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.644 -2.893 -14.608 1.00 0.78 C ATOM 0 H VAL B 8 136.870 -1.778 -18.265 1.00 0.35 H new ATOM 0 HA VAL B 8 137.136 -0.867 -15.582 1.00 0.37 H new ATOM 0 HB VAL B 8 135.136 -2.027 -16.489 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.151 -4.476 -16.756 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.230 -3.669 -17.919 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.912 -4.486 -16.493 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.735 -3.490 -14.543 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.472 -3.441 -14.158 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.499 -1.953 -14.076 1.00 0.78 H new ATOM 838 N LEU B 9 139.084 -3.315 -16.604 1.00 0.35 N ATOM 839 CA LEU B 9 140.253 -4.122 -16.255 1.00 0.49 C ATOM 840 C LEU B 9 141.319 -3.270 -15.565 1.00 0.52 C ATOM 841 O LEU B 9 141.762 -3.597 -14.463 1.00 0.74 O ATOM 842 CB LEU B 9 140.841 -4.789 -17.505 1.00 0.65 C ATOM 843 CG LEU B 9 140.797 -6.319 -17.506 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.108 -6.861 -18.894 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.770 -6.883 -16.479 1.00 0.76 C ATOM 0 H LEU B 9 138.801 -3.386 -17.581 1.00 0.35 H new ATOM 0 HA LEU B 9 139.929 -4.898 -15.562 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.302 -4.425 -18.380 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.878 -4.471 -17.614 1.00 0.65 H new ATOM 0 HG LEU B 9 139.790 -6.634 -17.232 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.072 -7.950 -18.876 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.372 -6.486 -19.605 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.103 -6.536 -19.197 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.725 -7.972 -16.494 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.782 -6.559 -16.720 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.501 -6.523 -15.486 1.00 0.76 H new ATOM 857 N GLN B 10 141.724 -2.174 -16.218 1.00 0.41 N ATOM 858 CA GLN B 10 142.738 -1.273 -15.665 1.00 0.48 C ATOM 859 C GLN B 10 142.274 -0.613 -14.362 1.00 0.42 C ATOM 860 O GLN B 10 143.102 -0.165 -13.568 1.00 0.48 O ATOM 861 CB GLN B 10 143.102 -0.194 -16.689 1.00 0.58 C ATOM 862 CG GLN B 10 143.752 -0.741 -17.952 1.00 0.66 C ATOM 863 CD GLN B 10 145.268 -0.738 -17.877 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.885 -1.748 -17.537 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.879 0.399 -18.196 1.00 0.83 N ATOM 0 H GLN B 10 141.364 -1.891 -17.130 1.00 0.41 H new ATOM 0 HA GLN B 10 143.617 -1.877 -15.438 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.200 0.353 -16.963 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.779 0.522 -16.224 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.403 -1.759 -18.124 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.433 -0.145 -18.807 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.330 1.213 -18.473 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.897 0.457 -18.164 1.00 0.83 H new ATOM 874 N GLU B 11 140.956 -0.571 -14.134 1.00 0.40 N ATOM 875 CA GLU B 11 140.407 0.018 -12.912 1.00 0.42 C ATOM 876 C GLU B 11 140.602 -0.925 -11.719 1.00 0.37 C ATOM 877 O GLU B 11 140.682 -0.479 -10.574 1.00 0.54 O ATOM 878 CB GLU B 11 138.918 0.339 -13.089 1.00 0.48 C ATOM 879 CG GLU B 11 138.655 1.588 -13.918 1.00 0.62 C ATOM 880 CD GLU B 11 137.199 1.725 -14.320 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.366 2.023 -13.439 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.891 1.534 -15.515 1.00 1.61 O ATOM 0 H GLU B 11 140.254 -0.937 -14.778 1.00 0.40 H new ATOM 0 HA GLU B 11 140.945 0.945 -12.714 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.426 -0.511 -13.563 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.463 0.464 -12.106 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.955 2.468 -13.348 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.275 1.562 -14.814 1.00 0.62 H new ATOM 889 N LEU B 12 140.701 -2.230 -12.003 1.00 0.32 N ATOM 890 CA LEU B 12 140.913 -3.233 -10.962 1.00 0.30 C ATOM 891 C LEU B 12 142.348 -3.146 -10.443 1.00 0.28 C ATOM 892 O LEU B 12 142.577 -3.062 -9.235 1.00 0.36 O ATOM 893 CB LEU B 12 140.622 -4.640 -11.501 1.00 0.32 C ATOM 894 CG LEU B 12 139.740 -5.522 -10.605 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.526 -6.024 -9.401 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.495 -4.765 -10.156 1.00 0.54 C ATOM 0 H LEU B 12 140.637 -2.612 -12.947 1.00 0.32 H new ATOM 0 HA LEU B 12 140.226 -3.036 -10.139 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.141 -4.545 -12.474 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.571 -5.151 -11.663 1.00 0.32 H new ATOM 0 HG LEU B 12 139.421 -6.385 -11.189 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.882 -6.647 -8.780 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.379 -6.611 -9.742 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.881 -5.174 -8.818 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.886 -5.410 -9.523 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.791 -3.879 -9.594 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.917 -4.464 -11.030 1.00 0.54 H new ATOM 908 N VAL B 13 143.311 -3.151 -11.371 1.00 0.25 N ATOM 909 CA VAL B 13 144.730 -3.057 -11.024 1.00 0.26 C ATOM 910 C VAL B 13 145.095 -1.664 -10.483 1.00 0.22 C ATOM 911 O VAL B 13 146.156 -1.487 -9.881 1.00 0.26 O ATOM 912 CB VAL B 13 145.633 -3.388 -12.237 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.544 -2.299 -13.299 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.076 -3.595 -11.795 1.00 0.52 C ATOM 0 H VAL B 13 143.130 -3.220 -12.373 1.00 0.25 H new ATOM 0 HA VAL B 13 144.905 -3.793 -10.239 1.00 0.26 H new ATOM 0 HB VAL B 13 145.275 -4.318 -12.679 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.188 -2.557 -14.140 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.514 -2.211 -13.645 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.866 -1.349 -12.873 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.693 -3.827 -12.663 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.445 -2.686 -11.320 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.124 -4.421 -11.085 1.00 0.52 H new ATOM 924 N LYS B 14 144.199 -0.689 -10.676 1.00 0.24 N ATOM 925 CA LYS B 14 144.420 0.670 -10.186 1.00 0.25 C ATOM 926 C LYS B 14 144.038 0.763 -8.711 1.00 0.22 C ATOM 927 O LYS B 14 144.839 1.188 -7.879 1.00 0.29 O ATOM 928 CB LYS B 14 143.611 1.679 -11.005 1.00 0.34 C ATOM 929 CG LYS B 14 144.261 3.050 -11.099 1.00 0.87 C ATOM 930 CD LYS B 14 143.369 4.036 -11.836 1.00 0.75 C ATOM 931 CE LYS B 14 143.931 5.450 -11.785 1.00 0.70 C ATOM 932 NZ LYS B 14 144.462 5.890 -13.107 1.00 0.72 N ATOM 0 H LYS B 14 143.315 -0.819 -11.168 1.00 0.24 H new ATOM 0 HA LYS B 14 145.478 0.909 -10.295 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.467 1.285 -12.011 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.622 1.785 -10.560 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.470 3.425 -10.097 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.218 2.966 -11.615 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.262 3.724 -12.875 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.372 4.024 -11.396 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.151 6.138 -11.461 1.00 0.70 H new ATOM 0 HE3 LYS B 14 144.727 5.497 -11.041 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.835 6.858 -13.027 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.225 5.249 -13.406 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.698 5.871 -13.812 1.00 0.72 H new ATOM 946 N HIS B 15 142.805 0.349 -8.398 1.00 0.24 N ATOM 947 CA HIS B 15 142.305 0.367 -7.023 1.00 0.27 C ATOM 948 C HIS B 15 143.117 -0.580 -6.136 1.00 0.25 C ATOM 949 O HIS B 15 143.327 -0.307 -4.953 1.00 0.45 O ATOM 950 CB HIS B 15 140.824 -0.035 -6.989 1.00 0.33 C ATOM 951 CG HIS B 15 139.889 1.063 -7.401 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.853 1.506 -6.605 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.837 1.810 -8.531 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.204 2.475 -7.227 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.781 2.679 -8.397 1.00 0.76 N ATOM 0 H HIS B 15 142.135 -0.003 -9.082 1.00 0.24 H new ATOM 0 HA HIS B 15 142.410 1.382 -6.639 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.675 -0.892 -7.646 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.568 -0.358 -5.980 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.502 1.736 -9.379 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.347 3.009 -6.843 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.490 3.370 -9.089 1.00 0.76 H new ATOM 964 N LYS B 16 143.580 -1.689 -6.724 1.00 0.21 N ATOM 965 CA LYS B 16 144.374 -2.676 -5.999 1.00 0.27 C ATOM 966 C LYS B 16 145.764 -2.134 -5.663 1.00 0.36 C ATOM 967 O LYS B 16 146.229 -2.277 -4.530 1.00 0.69 O ATOM 968 CB LYS B 16 144.497 -3.966 -6.817 1.00 0.35 C ATOM 969 CG LYS B 16 143.282 -4.875 -6.700 1.00 0.46 C ATOM 970 CD LYS B 16 143.443 -6.134 -7.538 1.00 0.49 C ATOM 971 CE LYS B 16 144.337 -7.155 -6.849 1.00 0.53 C ATOM 972 NZ LYS B 16 145.651 -7.300 -7.536 1.00 0.61 N ATOM 0 H LYS B 16 143.415 -1.922 -7.703 1.00 0.21 H new ATOM 0 HA LYS B 16 143.860 -2.894 -5.063 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.650 -3.709 -7.865 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.382 -4.512 -6.490 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.131 -5.149 -5.656 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.391 -4.335 -7.020 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.464 -6.575 -7.725 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.867 -5.874 -8.508 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.500 -6.854 -5.814 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.832 -8.121 -6.824 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.229 -8.005 -7.035 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.498 -7.612 -8.516 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.145 -6.385 -7.537 1.00 0.61 H new ATOM 986 N GLU B 17 146.424 -1.506 -6.642 1.00 0.30 N ATOM 987 CA GLU B 17 147.757 -0.943 -6.431 1.00 0.38 C ATOM 988 C GLU B 17 147.700 0.289 -5.525 1.00 0.32 C ATOM 989 O GLU B 17 148.615 0.527 -4.735 1.00 0.40 O ATOM 990 CB GLU B 17 148.399 -0.580 -7.772 1.00 0.51 C ATOM 991 CG GLU B 17 149.864 -0.179 -7.664 1.00 0.80 C ATOM 992 CD GLU B 17 150.080 1.309 -7.872 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.942 2.073 -6.894 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.388 1.709 -9.014 1.00 1.47 O ATOM 0 H GLU B 17 146.056 -1.376 -7.585 1.00 0.30 H new ATOM 0 HA GLU B 17 148.367 -1.700 -5.938 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.314 -1.432 -8.447 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.840 0.240 -8.222 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.243 -0.463 -6.682 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.444 -0.733 -8.402 1.00 0.80 H new ATOM 1001 N LEU B 18 146.610 1.056 -5.628 1.00 0.32 N ATOM 1002 CA LEU B 18 146.430 2.249 -4.801 1.00 0.34 C ATOM 1003 C LEU B 18 146.359 1.862 -3.324 1.00 0.35 C ATOM 1004 O LEU B 18 146.900 2.557 -2.462 1.00 0.66 O ATOM 1005 CB LEU B 18 145.158 2.999 -5.206 1.00 0.51 C ATOM 1006 CG LEU B 18 145.368 4.156 -6.187 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.097 4.419 -6.983 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.810 5.412 -5.446 1.00 0.75 C ATOM 0 H LEU B 18 145.843 0.871 -6.274 1.00 0.32 H new ATOM 0 HA LEU B 18 147.286 2.906 -4.956 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.462 2.288 -5.651 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.683 3.389 -4.306 1.00 0.51 H new ATOM 0 HG LEU B 18 146.157 3.877 -6.886 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.265 5.244 -7.675 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.827 3.524 -7.544 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.287 4.677 -6.301 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.954 6.223 -6.159 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.045 5.696 -4.723 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.747 5.216 -4.925 1.00 0.75 H new ATOM 1020 N LEU B 19 145.704 0.730 -3.053 1.00 0.45 N ATOM 1021 CA LEU B 19 145.575 0.217 -1.693 1.00 0.47 C ATOM 1022 C LEU B 19 146.942 -0.198 -1.145 1.00 0.33 C ATOM 1023 O LEU B 19 147.199 -0.081 0.054 1.00 0.45 O ATOM 1024 CB LEU B 19 144.612 -0.974 -1.659 1.00 0.63 C ATOM 1025 CG LEU B 19 143.129 -0.607 -1.546 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.267 -1.619 -2.288 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.713 -0.517 -0.085 1.00 0.96 C ATOM 0 H LEU B 19 145.254 0.152 -3.763 1.00 0.45 H new ATOM 0 HA LEU B 19 145.173 1.011 -1.064 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.756 -1.564 -2.564 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.878 -1.612 -0.816 1.00 0.63 H new ATOM 0 HG LEU B 19 142.981 0.370 -2.007 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.217 -1.340 -2.195 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.547 -1.633 -3.341 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.418 -2.610 -1.859 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.657 -0.255 -0.023 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.878 -1.479 0.400 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.306 0.248 0.416 1.00 0.96 H new ATOM 1039 N ARG B 20 147.818 -0.676 -2.039 1.00 0.35 N ATOM 1040 CA ARG B 20 149.161 -1.103 -1.653 1.00 0.49 C ATOM 1041 C ARG B 20 149.957 0.059 -1.060 1.00 0.40 C ATOM 1042 O ARG B 20 150.390 -0.015 0.090 1.00 0.49 O ATOM 1043 CB ARG B 20 149.900 -1.691 -2.860 1.00 0.76 C ATOM 1044 CG ARG B 20 150.844 -2.829 -2.503 1.00 0.85 C ATOM 1045 CD ARG B 20 150.392 -4.147 -3.117 1.00 0.96 C ATOM 1046 NE ARG B 20 149.838 -5.060 -2.115 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.791 -6.388 -2.256 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.257 -6.970 -3.359 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.275 -7.137 -1.288 1.00 1.59 N ATOM 0 H ARG B 20 147.616 -0.775 -3.034 1.00 0.35 H new ATOM 0 HA ARG B 20 149.064 -1.874 -0.888 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.168 -2.051 -3.583 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.468 -0.899 -3.348 1.00 0.76 H new ATOM 0 HG2 ARG B 20 151.849 -2.591 -2.851 1.00 0.85 H new ATOM 0 HG3 ARG B 20 150.898 -2.931 -1.419 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.641 -3.951 -3.883 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.237 -4.624 -3.614 1.00 0.96 H new ATOM 0 HE ARG B 20 149.465 -4.657 -1.256 1.00 1.06 H new ATOM 0 HH11 ARG B 20 150.655 -6.401 -4.107 1.00 1.68 H new ATOM 0 HH12 ARG B 20 150.216 -7.985 -3.456 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.916 -6.698 -0.440 1.00 1.59 H new ATOM 0 HH22 ARG B 20 149.238 -8.151 -1.393 1.00 1.59 H new ATOM 1063 N ARG B 21 150.163 1.125 -1.845 1.00 0.35 N ATOM 1064 CA ARG B 21 150.921 2.291 -1.382 1.00 0.35 C ATOM 1065 C ARG B 21 150.359 2.853 -0.076 1.00 0.34 C ATOM 1066 O ARG B 21 151.119 3.228 0.812 1.00 0.47 O ATOM 1067 CB ARG B 21 150.933 3.381 -2.457 1.00 0.45 C ATOM 1068 CG ARG B 21 151.980 3.154 -3.538 1.00 0.70 C ATOM 1069 CD ARG B 21 151.674 3.953 -4.796 1.00 0.98 C ATOM 1070 NE ARG B 21 152.601 5.070 -4.976 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.412 6.294 -4.472 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.324 6.572 -3.757 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.316 7.243 -4.686 1.00 1.53 N ATOM 0 H ARG B 21 149.816 1.202 -2.801 1.00 0.35 H new ATOM 0 HA ARG B 21 151.942 1.960 -1.191 1.00 0.35 H new ATOM 0 HB2 ARG B 21 149.948 3.434 -2.921 1.00 0.45 H new ATOM 0 HB3 ARG B 21 151.114 4.346 -1.983 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.962 3.436 -3.158 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.026 2.093 -3.783 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.726 3.296 -5.664 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.654 4.333 -4.744 1.00 0.98 H new ATOM 0 HE ARG B 21 153.447 4.904 -5.522 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.625 5.848 -3.589 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.189 7.509 -3.377 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.152 7.037 -5.234 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.175 8.178 -4.303 1.00 1.53 H new ATOM 1087 N LYS B 22 149.030 2.900 0.042 1.00 0.30 N ATOM 1088 CA LYS B 22 148.382 3.404 1.258 1.00 0.36 C ATOM 1089 C LYS B 22 148.771 2.561 2.482 1.00 0.31 C ATOM 1090 O LYS B 22 148.731 3.039 3.616 1.00 0.36 O ATOM 1091 CB LYS B 22 146.861 3.394 1.087 1.00 0.47 C ATOM 1092 CG LYS B 22 146.141 4.397 1.973 1.00 0.69 C ATOM 1093 CD LYS B 22 144.640 4.383 1.730 1.00 0.86 C ATOM 1094 CE LYS B 22 143.874 3.953 2.973 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.143 5.090 3.600 1.00 0.70 N ATOM 0 H LYS B 22 148.383 2.597 -0.686 1.00 0.30 H new ATOM 0 HA LYS B 22 148.722 4.427 1.422 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.620 3.604 0.045 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.486 2.394 1.306 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.343 4.169 3.020 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.531 5.397 1.783 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.311 5.376 1.425 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.410 3.705 0.908 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.165 3.168 2.709 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.568 3.525 3.697 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.635 4.754 4.443 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.821 5.829 3.876 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.462 5.483 2.919 1.00 0.70 H new ATOM 1109 N ASP B 23 149.175 1.316 2.224 1.00 0.32 N ATOM 1110 CA ASP B 23 149.608 0.397 3.272 1.00 0.32 C ATOM 1111 C ASP B 23 151.122 0.483 3.501 1.00 0.30 C ATOM 1112 O ASP B 23 151.603 0.200 4.598 1.00 0.37 O ATOM 1113 CB ASP B 23 149.195 -1.035 2.921 1.00 0.36 C ATOM 1114 CG ASP B 23 147.816 -1.384 3.451 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.818 -1.009 2.800 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.735 -2.029 4.516 1.00 1.11 O ATOM 0 H ASP B 23 149.210 0.920 1.285 1.00 0.32 H new ATOM 0 HA ASP B 23 149.118 0.688 4.201 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.208 -1.159 1.838 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.926 -1.732 3.330 1.00 0.36 H new ATOM 1121 N THR B 24 151.870 0.871 2.458 1.00 0.28 N ATOM 1122 CA THR B 24 153.327 0.988 2.553 1.00 0.29 C ATOM 1123 C THR B 24 153.757 2.394 2.988 1.00 0.27 C ATOM 1124 O THR B 24 154.812 2.557 3.600 1.00 0.32 O ATOM 1125 CB THR B 24 153.986 0.637 1.215 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.388 -0.514 0.639 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.473 0.371 1.337 1.00 0.55 C ATOM 0 H THR B 24 151.488 1.108 1.542 1.00 0.28 H new ATOM 0 HA THR B 24 153.657 0.281 3.314 1.00 0.29 H new ATOM 0 HB THR B 24 153.836 1.512 0.582 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.486 -0.292 0.327 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.881 0.128 0.356 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.971 1.259 1.727 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.638 -0.466 2.016 1.00 0.55 H new ATOM 1135 N HIS B 25 152.930 3.400 2.685 1.00 0.26 N ATOM 1136 CA HIS B 25 153.229 4.782 3.064 1.00 0.29 C ATOM 1137 C HIS B 25 153.107 4.947 4.575 1.00 0.31 C ATOM 1138 O HIS B 25 153.896 5.658 5.198 1.00 0.41 O ATOM 1139 CB HIS B 25 152.296 5.765 2.349 1.00 0.34 C ATOM 1140 CG HIS B 25 153.003 6.971 1.810 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.452 8.002 2.609 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.347 7.303 0.543 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.040 8.916 1.857 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.990 8.515 0.600 1.00 0.74 N ATOM 0 H HIS B 25 152.052 3.282 2.180 1.00 0.26 H new ATOM 0 HA HIS B 25 154.252 5.005 2.760 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.796 5.249 1.529 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.520 6.088 3.043 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.152 6.723 -0.347 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.485 9.834 2.210 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.368 9.023 -0.199 1.00 0.74 H new ATOM 1153 N ILE B 26 152.126 4.259 5.157 1.00 0.29 N ATOM 1154 CA ILE B 26 151.909 4.295 6.599 1.00 0.35 C ATOM 1155 C ILE B 26 153.015 3.527 7.332 1.00 0.35 C ATOM 1156 O ILE B 26 153.234 3.728 8.528 1.00 0.47 O ATOM 1157 CB ILE B 26 150.532 3.703 6.980 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.352 2.306 6.375 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.413 4.633 6.526 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.303 1.471 7.078 1.00 0.68 C ATOM 0 H ILE B 26 151.468 3.669 4.648 1.00 0.29 H new ATOM 0 HA ILE B 26 151.932 5.341 6.903 1.00 0.35 H new ATOM 0 HB ILE B 26 150.487 3.609 8.065 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.080 2.407 5.324 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.306 1.779 6.408 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.449 4.204 6.801 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.529 5.604 7.008 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.460 4.757 5.444 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.231 0.496 6.596 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.583 1.339 8.123 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.339 1.976 7.022 1.00 0.68 H new ATOM 1172 N ARG B 27 153.716 2.654 6.597 1.00 0.31 N ATOM 1173 CA ARG B 27 154.806 1.861 7.157 1.00 0.37 C ATOM 1174 C ARG B 27 156.137 2.606 7.048 1.00 0.34 C ATOM 1175 O ARG B 27 156.913 2.638 8.006 1.00 0.39 O ATOM 1176 CB ARG B 27 154.900 0.513 6.439 1.00 0.46 C ATOM 1177 CG ARG B 27 155.713 -0.525 7.193 1.00 0.53 C ATOM 1178 CD ARG B 27 155.798 -1.832 6.421 1.00 0.80 C ATOM 1179 NE ARG B 27 156.854 -2.703 6.932 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.146 -2.582 6.615 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.553 -1.628 5.780 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.036 -3.420 7.137 1.00 1.67 N ATOM 0 H ARG B 27 153.542 2.482 5.607 1.00 0.31 H new ATOM 0 HA ARG B 27 154.595 1.690 8.213 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.894 0.126 6.278 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.344 0.665 5.455 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.717 -0.142 7.374 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.261 -0.706 8.168 1.00 0.53 H new ATOM 0 HD2 ARG B 27 154.841 -2.350 6.479 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.982 -1.619 5.368 1.00 0.80 H new ATOM 0 HE ARG B 27 156.588 -3.451 7.572 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.876 -0.981 5.376 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.542 -1.544 5.544 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.732 -4.153 7.778 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.023 -3.330 6.897 1.00 1.67 H new ATOM 1196 N GLU B 28 156.399 3.212 5.882 1.00 0.33 N ATOM 1197 CA GLU B 28 157.640 3.960 5.675 1.00 0.36 C ATOM 1198 C GLU B 28 157.683 5.182 6.593 1.00 0.35 C ATOM 1199 O GLU B 28 158.686 5.421 7.267 1.00 0.44 O ATOM 1200 CB GLU B 28 157.809 4.374 4.204 1.00 0.47 C ATOM 1201 CG GLU B 28 156.666 5.211 3.642 1.00 0.78 C ATOM 1202 CD GLU B 28 156.957 6.703 3.660 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.063 7.103 3.234 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.077 7.472 4.097 1.00 1.79 O ATOM 0 H GLU B 28 155.773 3.198 5.077 1.00 0.33 H new ATOM 0 HA GLU B 28 158.474 3.305 5.928 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.737 4.937 4.104 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.915 3.475 3.598 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.464 4.898 2.618 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.762 5.016 4.219 1.00 0.78 H new ATOM 1211 N LEU B 29 156.583 5.944 6.626 1.00 0.33 N ATOM 1212 CA LEU B 29 156.491 7.131 7.478 1.00 0.38 C ATOM 1213 C LEU B 29 156.577 6.759 8.965 1.00 0.42 C ATOM 1214 O LEU B 29 156.820 7.622 9.809 1.00 0.79 O ATOM 1215 CB LEU B 29 155.186 7.886 7.205 1.00 0.46 C ATOM 1216 CG LEU B 29 155.327 9.408 7.099 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.758 9.910 5.778 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.642 10.092 8.274 1.00 0.59 C ATOM 0 H LEU B 29 155.747 5.758 6.073 1.00 0.33 H new ATOM 0 HA LEU B 29 157.336 7.777 7.238 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.754 7.511 6.277 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.478 7.657 8.001 1.00 0.46 H new ATOM 0 HG LEU B 29 156.388 9.657 7.129 1.00 0.47 H new ATOM 0 HD11 LEU B 29 154.868 10.993 5.723 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.297 9.448 4.951 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.702 9.649 5.714 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.753 11.172 8.181 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.583 9.835 8.278 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.099 9.759 9.206 1.00 0.59 H new ATOM 1230 N GLU B 30 156.423 5.464 9.271 1.00 0.43 N ATOM 1231 CA GLU B 30 156.529 4.983 10.644 1.00 0.45 C ATOM 1232 C GLU B 30 157.996 4.965 11.052 1.00 0.44 C ATOM 1233 O GLU B 30 158.387 5.624 12.016 1.00 0.58 O ATOM 1234 CB GLU B 30 155.916 3.587 10.789 1.00 0.51 C ATOM 1235 CG GLU B 30 154.754 3.531 11.768 1.00 0.58 C ATOM 1236 CD GLU B 30 155.153 3.942 13.174 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.640 3.074 13.931 1.00 1.26 O ATOM 1238 OE2 GLU B 30 154.981 5.130 13.517 1.00 1.35 O ATOM 0 H GLU B 30 156.225 4.736 8.584 1.00 0.43 H new ATOM 0 HA GLU B 30 155.974 5.655 11.299 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.574 3.246 9.812 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.689 2.892 11.116 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.955 4.184 11.416 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.351 2.518 11.790 1.00 0.58 H new ATOM 1245 N ASP B 31 158.806 4.225 10.287 1.00 0.41 N ATOM 1246 CA ASP B 31 160.244 4.139 10.536 1.00 0.55 C ATOM 1247 C ASP B 31 160.869 5.536 10.546 1.00 0.57 C ATOM 1248 O ASP B 31 161.836 5.787 11.266 1.00 0.76 O ATOM 1249 CB ASP B 31 160.919 3.270 9.468 1.00 0.69 C ATOM 1250 CG ASP B 31 161.541 2.018 10.053 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.647 2.116 10.624 1.00 1.66 O ATOM 1252 OD2 ASP B 31 160.921 0.939 9.941 1.00 1.74 O ATOM 0 H ASP B 31 158.486 3.677 9.489 1.00 0.41 H new ATOM 0 HA ASP B 31 160.397 3.679 11.512 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.184 2.989 8.714 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.689 3.853 8.962 1.00 0.69 H new ATOM 1257 N TYR B 32 160.287 6.447 9.757 1.00 0.49 N ATOM 1258 CA TYR B 32 160.763 7.826 9.692 1.00 0.56 C ATOM 1259 C TYR B 32 160.559 8.510 11.042 1.00 0.56 C ATOM 1260 O TYR B 32 161.457 9.183 11.553 1.00 0.67 O ATOM 1261 CB TYR B 32 160.031 8.601 8.590 1.00 0.60 C ATOM 1262 CG TYR B 32 160.831 8.740 7.314 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.075 9.358 7.317 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.343 8.253 6.108 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.810 9.486 6.155 1.00 1.37 C ATOM 1266 CE2 TYR B 32 161.072 8.377 4.941 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.305 8.995 4.970 1.00 1.21 C ATOM 1268 OH TYR B 32 163.035 9.121 3.811 1.00 1.53 O ATOM 0 H TYR B 32 159.486 6.250 9.156 1.00 0.49 H new ATOM 0 HA TYR B 32 161.827 7.816 9.454 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.091 8.097 8.366 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.780 9.594 8.962 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.474 9.745 8.243 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.378 7.769 6.082 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.776 9.969 6.174 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.679 7.992 4.012 1.00 1.17 H new ATOM 0 HH TYR B 32 162.538 8.722 3.066 1.00 1.53 H new ATOM 1278 N ILE B 33 159.374 8.306 11.623 1.00 0.54 N ATOM 1279 CA ILE B 33 159.043 8.873 12.928 1.00 0.64 C ATOM 1280 C ILE B 33 159.869 8.202 14.027 1.00 0.58 C ATOM 1281 O ILE B 33 160.330 8.868 14.954 1.00 0.78 O ATOM 1282 CB ILE B 33 157.539 8.712 13.252 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.690 9.524 12.270 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.244 9.134 14.688 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.275 9.007 12.121 1.00 0.87 C ATOM 0 H ILE B 33 158.627 7.750 11.207 1.00 0.54 H new ATOM 0 HA ILE B 33 159.278 9.937 12.889 1.00 0.64 H new ATOM 0 HB ILE B 33 157.280 7.659 13.147 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.656 10.561 12.604 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.174 9.519 11.294 1.00 0.84 H new ATOM 0 HG21 ILE B 33 156.180 9.012 14.892 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.819 8.513 15.375 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.522 10.179 14.824 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.733 9.631 11.410 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.299 7.980 11.757 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.773 9.038 13.088 1.00 0.87 H new ATOM 1297 N ASP B 34 160.032 6.874 13.914 1.00 0.46 N ATOM 1298 CA ASP B 34 160.786 6.076 14.887 1.00 0.50 C ATOM 1299 C ASP B 34 162.038 6.793 15.399 1.00 0.40 C ATOM 1300 O ASP B 34 162.381 6.660 16.567 1.00 0.45 O ATOM 1301 CB ASP B 34 161.180 4.731 14.271 1.00 0.69 C ATOM 1302 CG ASP B 34 160.194 3.630 14.611 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.350 3.002 15.680 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.266 3.395 13.808 1.00 1.46 O ATOM 0 H ASP B 34 159.644 6.326 13.146 1.00 0.46 H new ATOM 0 HA ASP B 34 160.129 5.919 15.743 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.245 4.835 13.188 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.172 4.449 14.624 1.00 0.69 H new ATOM 1309 N ASN B 35 162.714 7.548 14.525 1.00 0.52 N ATOM 1310 CA ASN B 35 163.926 8.287 14.905 1.00 0.58 C ATOM 1311 C ASN B 35 163.782 8.923 16.291 1.00 0.49 C ATOM 1312 O ASN B 35 164.722 8.906 17.087 1.00 0.61 O ATOM 1313 CB ASN B 35 164.240 9.369 13.866 1.00 0.78 C ATOM 1314 CG ASN B 35 165.041 8.834 12.694 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.206 8.464 12.842 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.422 8.791 11.519 1.00 1.31 N ATOM 0 H ASN B 35 162.443 7.664 13.549 1.00 0.52 H new ATOM 0 HA ASN B 35 164.749 7.574 14.942 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.307 9.797 13.499 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.796 10.176 14.343 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.913 8.442 10.696 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.456 9.107 11.440 1.00 1.31 H new ATOM 1323 N LEU B 36 162.594 9.467 16.577 1.00 0.44 N ATOM 1324 CA LEU B 36 162.323 10.087 17.874 1.00 0.51 C ATOM 1325 C LEU B 36 162.363 9.038 18.987 1.00 0.47 C ATOM 1326 O LEU B 36 163.007 9.238 20.018 1.00 0.59 O ATOM 1327 CB LEU B 36 160.956 10.788 17.866 1.00 0.71 C ATOM 1328 CG LEU B 36 160.674 11.674 16.646 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.244 12.196 16.682 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.665 12.829 16.578 1.00 1.64 C ATOM 0 H LEU B 36 161.808 9.489 15.928 1.00 0.44 H new ATOM 0 HA LEU B 36 163.097 10.832 18.061 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.177 10.028 17.929 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.876 11.401 18.764 1.00 0.71 H new ATOM 0 HG LEU B 36 160.795 11.067 15.749 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.063 12.822 15.808 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.550 11.356 16.676 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.094 12.784 17.587 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.447 13.445 15.705 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.580 13.435 17.480 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.678 12.435 16.500 1.00 1.64 H new ATOM 1342 N LEU B 37 161.677 7.913 18.761 1.00 0.41 N ATOM 1343 CA LEU B 37 161.635 6.819 19.729 1.00 0.48 C ATOM 1344 C LEU B 37 162.229 5.539 19.129 1.00 0.41 C ATOM 1345 O LEU B 37 161.551 4.513 19.024 1.00 0.54 O ATOM 1346 CB LEU B 37 160.192 6.571 20.190 1.00 0.65 C ATOM 1347 CG LEU B 37 159.187 6.274 19.069 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.157 5.252 19.530 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.503 7.555 18.609 1.00 0.69 C ATOM 0 H LEU B 37 161.141 7.738 17.911 1.00 0.41 H new ATOM 0 HA LEU B 37 162.236 7.103 20.593 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.190 5.734 20.888 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.848 7.447 20.741 1.00 0.65 H new ATOM 0 HG LEU B 37 159.731 5.854 18.223 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.453 5.055 18.721 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.662 4.326 19.806 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.618 5.643 20.393 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.794 7.324 17.814 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.973 8.006 19.448 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.252 8.253 18.236 1.00 0.69 H new ATOM 1361 N VAL B 38 163.503 5.610 18.730 1.00 0.36 N ATOM 1362 CA VAL B 38 164.197 4.464 18.134 1.00 0.49 C ATOM 1363 C VAL B 38 164.012 3.207 18.989 1.00 0.67 C ATOM 1364 O VAL B 38 163.722 3.303 20.181 1.00 1.35 O ATOM 1365 CB VAL B 38 165.707 4.751 17.955 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.414 3.580 17.284 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.918 6.030 17.156 1.00 0.89 C ATOM 0 H VAL B 38 164.075 6.451 18.809 1.00 0.36 H new ATOM 0 HA VAL B 38 163.755 4.295 17.152 1.00 0.49 H new ATOM 0 HB VAL B 38 166.142 4.884 18.945 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.473 3.811 17.172 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.300 2.686 17.898 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.975 3.404 16.302 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.986 6.215 17.041 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.460 5.924 16.173 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.459 6.867 17.682 1.00 0.89 H new ATOM 1377 N ARG B 39 164.160 2.036 18.357 1.00 0.54 N ATOM 1378 CA ARG B 39 163.991 0.742 19.031 1.00 0.62 C ATOM 1379 C ARG B 39 164.787 0.654 20.338 1.00 0.51 C ATOM 1380 O ARG B 39 165.901 0.126 20.369 1.00 0.63 O ATOM 1381 CB ARG B 39 164.400 -0.396 18.091 1.00 0.93 C ATOM 1382 CG ARG B 39 163.421 -0.623 16.949 1.00 1.15 C ATOM 1383 CD ARG B 39 164.075 -1.353 15.786 1.00 1.41 C ATOM 1384 NE ARG B 39 163.710 -2.770 15.749 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.391 -3.741 16.367 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.472 -3.459 17.091 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.985 -5.002 16.261 1.00 2.18 N ATOM 0 H ARG B 39 164.399 1.958 17.368 1.00 0.54 H new ATOM 0 HA ARG B 39 162.936 0.648 19.288 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.384 -0.178 17.677 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.493 -1.317 18.667 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.569 -1.200 17.309 1.00 1.15 H new ATOM 0 HG3 ARG B 39 163.034 0.336 16.605 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.781 -0.879 14.850 1.00 1.41 H new ATOM 0 HD3 ARG B 39 165.158 -1.260 15.864 1.00 1.41 H new ATOM 0 HE ARG B 39 162.881 -3.034 15.216 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.789 -2.494 17.179 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.983 -4.208 17.558 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.157 -5.226 15.710 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.502 -5.745 16.731 1.00 2.18 H new ATOM 1401 N VAL B 40 164.190 1.169 21.414 1.00 0.43 N ATOM 1402 CA VAL B 40 164.806 1.158 22.740 1.00 0.56 C ATOM 1403 C VAL B 40 163.721 1.169 23.821 1.00 0.71 C ATOM 1404 O VAL B 40 163.648 2.087 24.642 1.00 1.15 O ATOM 1405 CB VAL B 40 165.754 2.367 22.946 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.502 2.248 24.267 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.736 2.496 21.788 1.00 0.65 C ATOM 0 H VAL B 40 163.268 1.604 21.390 1.00 0.43 H new ATOM 0 HA VAL B 40 165.400 0.247 22.818 1.00 0.56 H new ATOM 0 HB VAL B 40 165.143 3.269 22.976 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.161 3.107 24.390 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.787 2.219 25.089 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.094 1.333 24.269 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.389 3.352 21.958 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.337 1.589 21.718 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.185 2.639 20.858 1.00 0.65 H new ATOM 1417 N MET B 41 162.870 0.143 23.803 1.00 0.60 N ATOM 1418 CA MET B 41 161.777 0.029 24.768 1.00 0.74 C ATOM 1419 C MET B 41 162.081 -1.038 25.819 1.00 0.91 C ATOM 1420 O MET B 41 162.365 -2.192 25.430 1.00 0.91 O ATOM 1421 CB MET B 41 160.464 -0.304 24.048 1.00 0.73 C ATOM 1422 CG MET B 41 160.136 0.638 22.899 1.00 0.74 C ATOM 1423 SD MET B 41 159.020 -0.102 21.691 1.00 0.86 S ATOM 1424 CE MET B 41 159.492 0.783 20.206 1.00 0.70 C ATOM 1425 OXT MET B 41 162.034 -0.710 27.023 1.00 1.13 O ATOM 0 H MET B 41 162.917 -0.622 23.130 1.00 0.60 H new ATOM 0 HA MET B 41 161.673 0.989 25.274 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.519 -1.323 23.665 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.648 -0.278 24.770 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.684 1.546 23.297 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.060 0.933 22.401 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.888 0.435 19.368 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.330 1.851 20.352 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.546 0.602 19.994 1.00 0.70 H new