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 175: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= -0.125 X(o=-0.13,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 73:sc= 0.716 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.371 X(o=0.37,f=-0.11) 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= -0.181 X(o=-0.18,f=-0.0024) 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 73:sc= 0.716 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.369 X(o=0.37,f=-0.058) USER MOD Single : B 41 MET CE :methyl 157:sc= -1.67 (180deg=-2.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.303 -18.153 -19.173 1.00 0.77 N ATOM 2 CA GLY A 1 130.934 -18.081 -18.586 1.00 0.81 C ATOM 3 C GLY A 1 130.702 -16.802 -17.803 1.00 0.65 C ATOM 4 O GLY A 1 130.378 -15.764 -18.384 1.00 0.70 O ATOM 0 H1 GLY A 1 132.410 -19.045 -19.697 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.446 -17.352 -19.821 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.010 -18.112 -18.411 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.196 -18.153 -19.385 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.778 -18.938 -17.930 1.00 0.81 H new ATOM 10 N SER A 2 130.872 -16.878 -16.482 1.00 0.55 N ATOM 11 CA SER A 2 130.685 -15.717 -15.611 1.00 0.48 C ATOM 12 C SER A 2 132.008 -15.016 -15.325 1.00 0.47 C ATOM 13 O SER A 2 132.025 -13.807 -15.103 1.00 0.71 O ATOM 14 CB SER A 2 130.014 -16.131 -14.298 1.00 0.54 C ATOM 15 OG SER A 2 128.614 -15.920 -14.351 1.00 0.67 O ATOM 0 H SER A 2 131.139 -17.732 -15.992 1.00 0.55 H new ATOM 0 HA SER A 2 130.036 -15.015 -16.134 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.219 -17.183 -14.097 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.440 -15.560 -13.473 1.00 0.54 H new ATOM 0 HG SER A 2 128.210 -16.194 -13.501 1.00 0.67 H new ATOM 21 N LEU A 3 133.115 -15.769 -15.349 1.00 0.38 N ATOM 22 CA LEU A 3 134.441 -15.191 -15.114 1.00 0.43 C ATOM 23 C LEU A 3 134.855 -14.364 -16.330 1.00 0.53 C ATOM 24 O LEU A 3 135.756 -14.736 -17.085 1.00 0.88 O ATOM 25 CB LEU A 3 135.477 -16.288 -14.827 1.00 0.48 C ATOM 26 CG LEU A 3 135.441 -17.494 -15.775 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.832 -17.794 -16.319 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.868 -18.713 -15.065 1.00 1.42 C ATOM 0 H LEU A 3 133.118 -16.773 -15.528 1.00 0.38 H new ATOM 0 HA LEU A 3 134.395 -14.545 -14.237 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.472 -15.844 -14.869 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.330 -16.645 -13.808 1.00 0.48 H new ATOM 0 HG LEU A 3 134.793 -17.249 -16.616 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.783 -18.653 -16.989 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.203 -16.927 -16.866 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.506 -18.017 -15.492 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.850 -19.559 -15.752 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.490 -18.958 -14.204 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.854 -18.496 -14.730 1.00 1.42 H new ATOM 40 N THR A 4 134.147 -13.256 -16.525 1.00 0.41 N ATOM 41 CA THR A 4 134.369 -12.365 -17.653 1.00 0.49 C ATOM 42 C THR A 4 133.913 -10.940 -17.301 1.00 0.39 C ATOM 43 O THR A 4 133.839 -10.585 -16.128 1.00 0.39 O ATOM 44 CB THR A 4 133.624 -12.906 -18.892 1.00 0.65 C ATOM 45 OG1 THR A 4 132.619 -13.835 -18.519 1.00 0.64 O ATOM 46 CG2 THR A 4 134.540 -13.599 -19.879 1.00 0.80 C ATOM 0 H THR A 4 133.400 -12.952 -15.901 1.00 0.41 H new ATOM 0 HA THR A 4 135.434 -12.324 -17.884 1.00 0.49 H new ATOM 0 HB THR A 4 133.187 -12.028 -19.369 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.110 -14.102 -19.313 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.957 -13.957 -20.727 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.296 -12.896 -20.229 1.00 0.80 H new ATOM 0 HG23 THR A 4 135.027 -14.444 -19.392 1.00 0.80 H new ATOM 54 N TYR A 5 133.636 -10.135 -18.327 1.00 0.48 N ATOM 55 CA TYR A 5 133.197 -8.742 -18.148 1.00 0.46 C ATOM 56 C TYR A 5 132.263 -8.582 -16.939 1.00 0.42 C ATOM 57 O TYR A 5 132.541 -7.794 -16.034 1.00 0.47 O ATOM 58 CB TYR A 5 132.490 -8.247 -19.412 1.00 0.59 C ATOM 59 CG TYR A 5 132.019 -6.809 -19.332 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.919 -5.772 -19.118 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.673 -6.490 -19.472 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.493 -4.460 -19.048 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.239 -5.180 -19.402 1.00 0.90 C ATOM 64 CZ TYR A 5 131.153 -4.169 -19.190 1.00 0.65 C ATOM 65 OH TYR A 5 130.726 -2.862 -19.122 1.00 0.79 O ATOM 0 H TYR A 5 133.708 -10.424 -19.303 1.00 0.48 H new ATOM 0 HA TYR A 5 134.088 -8.142 -17.963 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.168 -8.350 -20.259 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.632 -8.889 -19.611 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.969 -5.996 -19.004 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.955 -7.279 -19.638 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.206 -3.666 -18.883 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.190 -4.949 -19.513 1.00 0.90 H new ATOM 0 HH TYR A 5 129.754 -2.829 -19.243 1.00 0.79 H new ATOM 75 N GLU A 6 131.155 -9.330 -16.938 1.00 0.48 N ATOM 76 CA GLU A 6 130.170 -9.274 -15.850 1.00 0.50 C ATOM 77 C GLU A 6 130.813 -9.502 -14.474 1.00 0.38 C ATOM 78 O GLU A 6 130.313 -9.006 -13.462 1.00 0.47 O ATOM 79 CB GLU A 6 129.070 -10.313 -16.090 1.00 0.60 C ATOM 80 CG GLU A 6 127.719 -9.921 -15.512 1.00 0.65 C ATOM 81 CD GLU A 6 126.597 -10.830 -15.980 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.362 -11.869 -15.327 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.952 -10.502 -16.999 1.00 1.16 O ATOM 0 H GLU A 6 130.916 -9.985 -17.682 1.00 0.48 H new ATOM 0 HA GLU A 6 129.740 -8.272 -15.848 1.00 0.50 H new ATOM 0 HB2 GLU A 6 128.963 -10.474 -17.163 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.379 -11.263 -15.654 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.772 -9.947 -14.424 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.491 -8.893 -15.795 1.00 0.65 H new ATOM 90 N GLU A 7 131.917 -10.251 -14.442 1.00 0.30 N ATOM 91 CA GLU A 7 132.622 -10.540 -13.191 1.00 0.29 C ATOM 92 C GLU A 7 133.472 -9.349 -12.749 1.00 0.28 C ATOM 93 O GLU A 7 133.356 -8.887 -11.612 1.00 0.46 O ATOM 94 CB GLU A 7 133.513 -11.776 -13.350 1.00 0.40 C ATOM 95 CG GLU A 7 133.493 -12.706 -12.146 1.00 0.56 C ATOM 96 CD GLU A 7 134.603 -12.402 -11.157 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.723 -12.923 -11.343 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.352 -11.643 -10.197 1.00 0.81 O ATOM 0 H GLU A 7 132.343 -10.669 -15.269 1.00 0.30 H new ATOM 0 HA GLU A 7 131.871 -10.734 -12.426 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.194 -12.332 -14.232 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.538 -11.453 -13.531 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.530 -12.623 -11.643 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.587 -13.737 -12.486 1.00 0.56 H new ATOM 105 N VAL A 8 134.329 -8.860 -13.653 1.00 0.34 N ATOM 106 CA VAL A 8 135.203 -7.726 -13.353 1.00 0.36 C ATOM 107 C VAL A 8 134.402 -6.496 -12.906 1.00 0.28 C ATOM 108 O VAL A 8 134.897 -5.687 -12.120 1.00 0.39 O ATOM 109 CB VAL A 8 136.110 -7.364 -14.555 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.295 -6.844 -15.731 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.172 -6.354 -14.141 1.00 0.77 C ATOM 0 H VAL A 8 134.434 -9.233 -14.596 1.00 0.34 H new ATOM 0 HA VAL A 8 135.842 -8.038 -12.527 1.00 0.36 H new ATOM 0 HB VAL A 8 136.611 -8.276 -14.881 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.963 -6.600 -16.557 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.588 -7.610 -16.051 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.750 -5.950 -15.429 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.799 -6.113 -14.999 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.689 -5.447 -13.778 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.789 -6.779 -13.349 1.00 0.77 H new ATOM 121 N LEU A 9 133.159 -6.371 -13.392 1.00 0.36 N ATOM 122 CA LEU A 9 132.298 -5.251 -13.014 1.00 0.49 C ATOM 123 C LEU A 9 132.050 -5.272 -11.507 1.00 0.53 C ATOM 124 O LEU A 9 132.387 -4.320 -10.802 1.00 0.73 O ATOM 125 CB LEU A 9 130.963 -5.317 -13.764 1.00 0.66 C ATOM 126 CG LEU A 9 130.927 -4.573 -15.102 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.749 -5.044 -15.941 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.858 -3.068 -14.878 1.00 0.72 C ATOM 0 H LEU A 9 132.733 -7.030 -14.044 1.00 0.36 H new ATOM 0 HA LEU A 9 132.800 -4.322 -13.284 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.717 -6.364 -13.942 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.183 -4.911 -13.120 1.00 0.66 H new ATOM 0 HG LEU A 9 131.846 -4.795 -15.644 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.738 -4.505 -16.888 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.843 -6.113 -16.133 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.820 -4.852 -15.404 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.833 -2.558 -15.841 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.957 -2.825 -14.315 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.735 -2.743 -14.318 1.00 0.72 H new ATOM 140 N GLN A 10 131.459 -6.370 -11.025 1.00 0.42 N ATOM 141 CA GLN A 10 131.166 -6.534 -9.600 1.00 0.49 C ATOM 142 C GLN A 10 132.418 -6.291 -8.753 1.00 0.43 C ATOM 143 O GLN A 10 132.339 -5.705 -7.673 1.00 0.50 O ATOM 144 CB GLN A 10 130.612 -7.936 -9.317 1.00 0.60 C ATOM 145 CG GLN A 10 129.319 -8.252 -10.057 1.00 0.69 C ATOM 146 CD GLN A 10 128.103 -8.249 -9.147 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.459 -7.217 -8.957 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.780 -9.408 -8.577 1.00 0.84 N ATOM 0 H GLN A 10 131.174 -7.160 -11.604 1.00 0.42 H new ATOM 0 HA GLN A 10 130.412 -5.795 -9.329 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.365 -8.675 -9.590 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.440 -8.038 -8.246 1.00 0.60 H new ATOM 0 HG2 GLN A 10 129.173 -7.521 -10.852 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.408 -9.228 -10.533 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.340 -10.240 -8.761 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.972 -9.464 -7.957 1.00 0.84 H new ATOM 157 N GLU A 11 133.573 -6.755 -9.245 1.00 0.41 N ATOM 158 CA GLU A 11 134.844 -6.593 -8.534 1.00 0.44 C ATOM 159 C GLU A 11 135.100 -5.134 -8.141 1.00 0.40 C ATOM 160 O GLU A 11 135.748 -4.870 -7.126 1.00 0.56 O ATOM 161 CB GLU A 11 136.003 -7.107 -9.392 1.00 0.52 C ATOM 162 CG GLU A 11 136.110 -8.624 -9.431 1.00 0.63 C ATOM 163 CD GLU A 11 137.042 -9.118 -10.522 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.226 -8.715 -10.522 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.589 -9.907 -11.377 1.00 1.64 O ATOM 0 H GLU A 11 133.652 -7.247 -10.135 1.00 0.41 H new ATOM 0 HA GLU A 11 134.778 -7.180 -7.618 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.884 -6.734 -10.409 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.937 -6.696 -9.009 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.465 -8.984 -8.465 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.119 -9.050 -9.585 1.00 0.63 H new ATOM 172 N LEU A 12 134.577 -4.187 -8.933 1.00 0.34 N ATOM 173 CA LEU A 12 134.743 -2.765 -8.637 1.00 0.34 C ATOM 174 C LEU A 12 133.909 -2.422 -7.411 1.00 0.31 C ATOM 175 O LEU A 12 134.448 -1.963 -6.402 1.00 0.39 O ATOM 176 CB LEU A 12 134.350 -1.912 -9.850 1.00 0.36 C ATOM 177 CG LEU A 12 135.449 -0.981 -10.379 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.773 0.104 -9.361 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.701 -1.774 -10.737 1.00 0.59 C ATOM 0 H LEU A 12 134.039 -4.383 -9.777 1.00 0.34 H new ATOM 0 HA LEU A 12 135.789 -2.547 -8.423 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.040 -2.577 -10.656 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.482 -1.309 -9.584 1.00 0.36 H new ATOM 0 HG LEU A 12 135.080 -0.499 -11.284 1.00 0.44 H new ATOM 0 HD11 LEU A 12 136.555 0.753 -9.757 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.879 0.694 -9.161 1.00 0.65 H new ATOM 0 HD13 LEU A 12 136.118 -0.357 -8.435 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.468 -1.095 -11.110 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.072 -2.288 -9.850 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.460 -2.507 -11.507 1.00 0.59 H new ATOM 191 N VAL A 13 132.582 -2.567 -7.520 1.00 0.26 N ATOM 192 CA VAL A 13 131.669 -2.227 -6.421 1.00 0.26 C ATOM 193 C VAL A 13 132.134 -2.844 -5.101 1.00 0.22 C ATOM 194 O VAL A 13 131.905 -2.278 -4.031 1.00 0.24 O ATOM 195 CB VAL A 13 130.210 -2.669 -6.734 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.965 -4.122 -6.346 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.211 -1.753 -6.040 1.00 0.53 C ATOM 0 H VAL A 13 132.117 -2.917 -8.358 1.00 0.26 H new ATOM 0 HA VAL A 13 131.683 -1.142 -6.319 1.00 0.26 H new ATOM 0 HB VAL A 13 130.067 -2.589 -7.812 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.935 -4.392 -6.580 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.645 -4.767 -6.903 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.139 -4.248 -5.277 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.197 -2.079 -6.271 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.368 -1.793 -4.962 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.352 -0.730 -6.389 1.00 0.53 H new ATOM 207 N LYS A 14 132.811 -3.994 -5.191 1.00 0.24 N ATOM 208 CA LYS A 14 133.336 -4.671 -4.009 1.00 0.23 C ATOM 209 C LYS A 14 134.361 -3.774 -3.313 1.00 0.21 C ATOM 210 O LYS A 14 134.178 -3.396 -2.157 1.00 0.28 O ATOM 211 CB LYS A 14 133.973 -6.014 -4.393 1.00 0.30 C ATOM 212 CG LYS A 14 133.465 -7.189 -3.569 1.00 0.84 C ATOM 213 CD LYS A 14 134.162 -8.486 -3.956 1.00 0.68 C ATOM 214 CE LYS A 14 134.270 -9.440 -2.774 1.00 0.73 C ATOM 215 NZ LYS A 14 133.422 -10.653 -2.951 1.00 0.75 N ATOM 0 H LYS A 14 133.006 -4.472 -6.071 1.00 0.24 H new ATOM 0 HA LYS A 14 132.513 -4.870 -3.323 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.779 -6.210 -5.448 1.00 0.30 H new ATOM 0 HB3 LYS A 14 135.054 -5.940 -4.276 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.628 -6.989 -2.510 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.390 -7.296 -3.711 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.612 -8.968 -4.764 1.00 0.68 H new ATOM 0 HD3 LYS A 14 135.159 -8.264 -4.337 1.00 0.68 H new ATOM 0 HE2 LYS A 14 135.310 -9.741 -2.646 1.00 0.73 H new ATOM 0 HE3 LYS A 14 133.974 -8.921 -1.862 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.527 -11.274 -2.123 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.426 -10.369 -3.047 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.721 -11.164 -3.806 1.00 0.75 H new ATOM 229 N HIS A 15 135.432 -3.428 -4.036 1.00 0.25 N ATOM 230 CA HIS A 15 136.483 -2.558 -3.500 1.00 0.27 C ATOM 231 C HIS A 15 135.907 -1.193 -3.115 1.00 0.23 C ATOM 232 O HIS A 15 136.233 -0.648 -2.060 1.00 0.43 O ATOM 233 CB HIS A 15 137.604 -2.371 -4.529 1.00 0.33 C ATOM 234 CG HIS A 15 138.417 -3.606 -4.783 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.772 -3.574 -5.038 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.059 -4.912 -4.827 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.212 -4.806 -5.228 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.193 -5.635 -5.105 1.00 0.72 N ATOM 0 H HIS A 15 135.593 -3.738 -4.994 1.00 0.25 H new ATOM 0 HA HIS A 15 136.893 -3.034 -2.610 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.166 -2.038 -5.470 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.267 -1.577 -4.187 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.067 -5.310 -4.672 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.232 -5.086 -5.447 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.240 -6.649 -5.201 1.00 0.72 H new ATOM 247 N LYS A 16 135.051 -0.655 -3.991 1.00 0.21 N ATOM 248 CA LYS A 16 134.420 0.644 -3.757 1.00 0.25 C ATOM 249 C LYS A 16 133.774 0.674 -2.371 1.00 0.32 C ATOM 250 O LYS A 16 134.155 1.481 -1.519 1.00 0.62 O ATOM 251 CB LYS A 16 133.373 0.937 -4.836 1.00 0.37 C ATOM 252 CG LYS A 16 133.976 1.330 -6.176 1.00 0.50 C ATOM 253 CD LYS A 16 132.929 1.916 -7.111 1.00 0.57 C ATOM 254 CE LYS A 16 132.838 3.429 -6.971 1.00 0.59 C ATOM 255 NZ LYS A 16 131.435 3.891 -6.766 1.00 0.66 N ATOM 0 H LYS A 16 134.781 -1.101 -4.868 1.00 0.21 H new ATOM 0 HA LYS A 16 135.189 1.415 -3.805 1.00 0.25 H new ATOM 0 HB2 LYS A 16 132.747 0.055 -4.973 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.721 1.740 -4.490 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.772 2.058 -6.018 1.00 0.50 H new ATOM 0 HG3 LYS A 16 134.431 0.456 -6.641 1.00 0.50 H new ATOM 0 HD2 LYS A 16 133.176 1.659 -8.141 1.00 0.57 H new ATOM 0 HD3 LYS A 16 131.958 1.471 -6.895 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.452 3.752 -6.130 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.247 3.900 -7.864 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.420 4.927 -6.676 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 130.853 3.606 -7.580 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.052 3.463 -5.899 1.00 0.66 H new ATOM 269 N GLU A 17 132.803 -0.217 -2.150 1.00 0.32 N ATOM 270 CA GLU A 17 132.108 -0.305 -0.865 1.00 0.39 C ATOM 271 C GLU A 17 133.077 -0.646 0.272 1.00 0.32 C ATOM 272 O GLU A 17 132.895 -0.191 1.403 1.00 0.40 O ATOM 273 CB GLU A 17 130.995 -1.357 -0.933 1.00 0.51 C ATOM 274 CG GLU A 17 129.978 -1.246 0.194 1.00 0.80 C ATOM 275 CD GLU A 17 129.477 -2.599 0.663 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.100 -3.179 1.577 1.00 1.47 O ATOM 277 OE2 GLU A 17 128.462 -3.079 0.116 1.00 1.43 O ATOM 0 H GLU A 17 132.481 -0.888 -2.847 1.00 0.32 H new ATOM 0 HA GLU A 17 131.670 0.671 -0.658 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.477 -1.264 -1.888 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.444 -2.350 -0.909 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.429 -0.718 1.035 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.132 -0.646 -0.142 1.00 0.80 H new ATOM 284 N LEU A 18 134.106 -1.443 -0.034 1.00 0.32 N ATOM 285 CA LEU A 18 135.105 -1.836 0.965 1.00 0.34 C ATOM 286 C LEU A 18 135.853 -0.615 1.508 1.00 0.33 C ATOM 287 O LEU A 18 136.237 -0.585 2.678 1.00 0.66 O ATOM 288 CB LEU A 18 136.098 -2.837 0.363 1.00 0.53 C ATOM 289 CG LEU A 18 135.644 -4.299 0.393 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.457 -5.132 -0.588 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.759 -4.863 1.801 1.00 0.79 C ATOM 0 H LEU A 18 134.269 -1.828 -0.964 1.00 0.32 H new ATOM 0 HA LEU A 18 134.581 -2.311 1.794 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.293 -2.554 -0.671 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.043 -2.755 0.900 1.00 0.53 H new ATOM 0 HG LEU A 18 134.598 -4.342 0.091 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.120 -6.168 -0.552 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.322 -4.741 -1.596 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.512 -5.084 -0.319 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.432 -5.903 1.804 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.796 -4.807 2.132 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.131 -4.283 2.478 1.00 0.79 H new ATOM 303 N LEU A 19 136.044 0.395 0.652 1.00 0.43 N ATOM 304 CA LEU A 19 136.730 1.626 1.046 1.00 0.44 C ATOM 305 C LEU A 19 135.819 2.506 1.909 1.00 0.30 C ATOM 306 O LEU A 19 136.297 3.286 2.733 1.00 0.45 O ATOM 307 CB LEU A 19 137.185 2.403 -0.194 1.00 0.57 C ATOM 308 CG LEU A 19 138.419 1.834 -0.900 1.00 0.76 C ATOM 309 CD1 LEU A 19 138.216 1.819 -2.408 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.660 2.635 -0.534 1.00 0.94 C ATOM 0 H LEU A 19 135.732 0.382 -0.319 1.00 0.43 H new ATOM 0 HA LEU A 19 137.605 1.352 1.635 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.361 2.435 -0.906 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.395 3.432 0.098 1.00 0.57 H new ATOM 0 HG LEU A 19 138.562 0.807 -0.565 1.00 0.76 H new ATOM 0 HD11 LEU A 19 139.104 1.411 -2.891 1.00 0.88 H new ATOM 0 HD12 LEU A 19 137.353 1.200 -2.653 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.045 2.836 -2.762 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.527 2.216 -1.045 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.526 3.673 -0.838 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.817 2.590 0.544 1.00 0.94 H new ATOM 322 N ARG A 20 134.505 2.351 1.725 1.00 0.32 N ATOM 323 CA ARG A 20 133.524 3.108 2.496 1.00 0.50 C ATOM 324 C ARG A 20 133.404 2.530 3.905 1.00 0.40 C ATOM 325 O ARG A 20 133.579 3.245 4.893 1.00 0.47 O ATOM 326 CB ARG A 20 132.158 3.088 1.801 1.00 0.78 C ATOM 327 CG ARG A 20 132.038 4.082 0.654 1.00 0.89 C ATOM 328 CD ARG A 20 131.113 3.566 -0.438 1.00 0.98 C ATOM 329 NE ARG A 20 130.962 4.528 -1.531 1.00 1.06 N ATOM 330 CZ ARG A 20 130.164 5.600 -1.484 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.422 5.848 -0.407 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.105 6.426 -2.524 1.00 1.60 N ATOM 0 H ARG A 20 134.099 1.706 1.047 1.00 0.32 H new ATOM 0 HA ARG A 20 133.862 4.142 2.563 1.00 0.50 H new ATOM 0 HB2 ARG A 20 131.969 2.084 1.421 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.383 3.301 2.537 1.00 0.78 H new ATOM 0 HG2 ARG A 20 131.661 5.032 1.033 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.025 4.276 0.234 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.506 2.629 -0.832 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.135 3.347 -0.010 1.00 0.98 H new ATOM 0 HE ARG A 20 131.500 4.371 -2.383 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.458 5.217 0.394 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.817 6.669 -0.382 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.667 6.241 -3.355 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.497 7.245 -2.491 1.00 1.60 H new ATOM 346 N ARG A 21 133.112 1.226 3.985 1.00 0.36 N ATOM 347 CA ARG A 21 132.973 0.534 5.269 1.00 0.37 C ATOM 348 C ARG A 21 134.200 0.769 6.154 1.00 0.35 C ATOM 349 O ARG A 21 134.066 1.159 7.313 1.00 0.49 O ATOM 350 CB ARG A 21 132.761 -0.971 5.048 1.00 0.47 C ATOM 351 CG ARG A 21 132.854 -1.801 6.322 1.00 0.71 C ATOM 352 CD ARG A 21 132.257 -3.190 6.138 1.00 0.94 C ATOM 353 NE ARG A 21 131.138 -3.433 7.052 1.00 0.95 N ATOM 354 CZ ARG A 21 130.706 -4.648 7.409 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.287 -5.745 6.929 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.683 -4.764 8.250 1.00 1.50 N ATOM 0 H ARG A 21 132.967 0.628 3.171 1.00 0.36 H new ATOM 0 HA ARG A 21 132.100 0.942 5.778 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.782 -1.127 4.595 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.503 -1.332 4.336 1.00 0.47 H new ATOM 0 HG2 ARG A 21 133.898 -1.891 6.621 1.00 0.71 H new ATOM 0 HG3 ARG A 21 132.334 -1.286 7.130 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.916 -3.304 5.109 1.00 0.94 H new ATOM 0 HD3 ARG A 21 133.029 -3.941 6.303 1.00 0.94 H new ATOM 0 HE ARG A 21 130.657 -2.623 7.442 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.071 -5.665 6.281 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.948 -6.666 7.209 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.230 -3.929 8.621 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.351 -5.688 8.525 1.00 1.50 H new ATOM 370 N LYS A 22 135.390 0.518 5.600 1.00 0.33 N ATOM 371 CA LYS A 22 136.649 0.694 6.332 1.00 0.41 C ATOM 372 C LYS A 22 136.709 2.048 7.048 1.00 0.34 C ATOM 373 O LYS A 22 137.198 2.135 8.176 1.00 0.36 O ATOM 374 CB LYS A 22 137.834 0.555 5.373 1.00 0.56 C ATOM 375 CG LYS A 22 139.138 0.173 6.056 1.00 0.77 C ATOM 376 CD LYS A 22 140.096 -0.502 5.084 1.00 0.95 C ATOM 377 CE LYS A 22 141.350 0.332 4.859 1.00 0.76 C ATOM 378 NZ LYS A 22 142.311 0.219 5.993 1.00 0.71 N ATOM 0 H LYS A 22 135.508 0.190 4.641 1.00 0.33 H new ATOM 0 HA LYS A 22 136.701 -0.084 7.094 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.595 -0.198 4.622 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.974 1.498 4.845 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.607 1.064 6.472 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.931 -0.497 6.890 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.375 -1.482 5.470 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.592 -0.666 4.131 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.837 0.011 3.938 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.070 1.377 4.724 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.149 0.803 5.797 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.856 0.549 6.868 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.599 -0.774 6.106 1.00 0.71 H new ATOM 392 N ASP A 23 136.208 3.097 6.393 1.00 0.34 N ATOM 393 CA ASP A 23 136.202 4.438 6.979 1.00 0.32 C ATOM 394 C ASP A 23 135.049 4.593 7.968 1.00 0.29 C ATOM 395 O ASP A 23 135.206 5.209 9.021 1.00 0.34 O ATOM 396 CB ASP A 23 136.102 5.503 5.884 1.00 0.37 C ATOM 397 CG ASP A 23 137.451 5.834 5.275 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.921 5.059 4.416 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.038 6.868 5.658 1.00 1.15 O ATOM 0 H ASP A 23 135.802 3.044 5.459 1.00 0.34 H new ATOM 0 HA ASP A 23 137.140 4.575 7.517 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.429 5.153 5.101 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.662 6.409 6.301 1.00 0.37 H new ATOM 404 N THR A 24 133.893 4.018 7.629 1.00 0.27 N ATOM 405 CA THR A 24 132.718 4.081 8.496 1.00 0.28 C ATOM 406 C THR A 24 132.973 3.345 9.814 1.00 0.27 C ATOM 407 O THR A 24 132.416 3.711 10.850 1.00 0.32 O ATOM 408 CB THR A 24 131.496 3.484 7.788 1.00 0.31 C ATOM 409 OG1 THR A 24 131.319 4.069 6.508 1.00 0.52 O ATOM 410 CG2 THR A 24 130.205 3.675 8.557 1.00 0.53 C ATOM 0 H THR A 24 133.747 3.504 6.760 1.00 0.27 H new ATOM 0 HA THR A 24 132.519 5.129 8.719 1.00 0.28 H new ATOM 0 HB THR A 24 131.703 2.417 7.711 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.013 3.740 5.899 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.381 3.229 8.000 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.287 3.193 9.531 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.017 4.740 8.693 1.00 0.53 H new ATOM 418 N HIS A 25 133.820 2.310 9.771 1.00 0.27 N ATOM 419 CA HIS A 25 134.149 1.532 10.965 1.00 0.31 C ATOM 420 C HIS A 25 134.960 2.371 11.948 1.00 0.33 C ATOM 421 O HIS A 25 134.546 2.563 13.091 1.00 0.43 O ATOM 422 CB HIS A 25 134.922 0.262 10.590 1.00 0.37 C ATOM 423 CG HIS A 25 134.414 -0.964 11.281 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.808 -1.329 12.550 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.525 -1.905 10.880 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.185 -2.440 12.902 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.401 -2.809 11.906 1.00 0.75 N ATOM 0 H HIS A 25 134.288 1.994 8.922 1.00 0.27 H new ATOM 0 HA HIS A 25 133.215 1.240 11.445 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.863 0.114 9.512 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.975 0.400 10.836 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.010 -1.938 9.931 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.298 -2.957 13.843 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.800 -3.633 11.900 1.00 0.75 H new ATOM 436 N ILE A 26 136.105 2.885 11.491 1.00 0.31 N ATOM 437 CA ILE A 26 136.960 3.726 12.334 1.00 0.35 C ATOM 438 C ILE A 26 136.217 5.000 12.758 1.00 0.34 C ATOM 439 O ILE A 26 136.433 5.523 13.853 1.00 0.46 O ATOM 440 CB ILE A 26 138.279 4.109 11.619 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.002 4.736 10.246 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.177 2.887 11.474 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.017 6.251 10.253 1.00 0.68 C ATOM 0 H ILE A 26 136.460 2.735 10.547 1.00 0.31 H new ATOM 0 HA ILE A 26 137.211 3.140 13.218 1.00 0.35 H new ATOM 0 HB ILE A 26 138.792 4.851 12.231 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.747 4.378 9.536 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.031 4.393 9.889 1.00 0.40 H new ATOM 0 HG21 ILE A 26 140.100 3.172 10.970 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.411 2.488 12.461 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.663 2.125 10.887 1.00 0.56 H new ATOM 0 HD11 ILE A 26 137.814 6.622 9.248 1.00 0.68 H new ATOM 0 HD12 ILE A 26 137.253 6.619 10.937 1.00 0.68 H new ATOM 0 HD13 ILE A 26 138.996 6.604 10.578 1.00 0.68 H new ATOM 455 N ARG A 27 135.323 5.470 11.882 1.00 0.29 N ATOM 456 CA ARG A 27 134.516 6.659 12.153 1.00 0.35 C ATOM 457 C ARG A 27 133.503 6.368 13.262 1.00 0.34 C ATOM 458 O ARG A 27 133.255 7.208 14.129 1.00 0.39 O ATOM 459 CB ARG A 27 133.793 7.114 10.883 1.00 0.44 C ATOM 460 CG ARG A 27 133.066 8.442 11.032 1.00 0.52 C ATOM 461 CD ARG A 27 131.566 8.277 10.841 1.00 0.81 C ATOM 462 NE ARG A 27 130.820 9.474 11.230 1.00 0.91 N ATOM 463 CZ ARG A 27 129.495 9.598 11.109 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.767 8.600 10.613 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.894 10.723 11.484 1.00 1.68 N ATOM 0 H ARG A 27 135.141 5.041 10.975 1.00 0.29 H new ATOM 0 HA ARG A 27 135.177 7.460 12.482 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.518 7.196 10.073 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.075 6.348 10.591 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.265 8.859 12.019 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.451 9.154 10.302 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.359 8.046 9.796 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.219 7.428 11.430 1.00 0.81 H new ATOM 0 HE ARG A 27 131.342 10.260 11.616 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.220 7.734 10.322 1.00 1.19 H new ATOM 0 HH12 ARG A 27 127.756 8.702 10.524 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.444 11.493 11.865 1.00 1.68 H new ATOM 0 HH22 ARG A 27 127.883 10.816 11.391 1.00 1.68 H new ATOM 479 N GLU A 28 132.932 5.160 13.227 1.00 0.33 N ATOM 480 CA GLU A 28 131.954 4.726 14.224 1.00 0.38 C ATOM 481 C GLU A 28 132.643 4.424 15.556 1.00 0.37 C ATOM 482 O GLU A 28 132.132 4.774 16.622 1.00 0.47 O ATOM 483 CB GLU A 28 131.196 3.489 13.709 1.00 0.48 C ATOM 484 CG GLU A 28 130.885 2.440 14.771 1.00 0.81 C ATOM 485 CD GLU A 28 130.524 1.095 14.166 1.00 1.22 C ATOM 486 OE1 GLU A 28 131.440 0.396 13.683 1.00 1.66 O ATOM 487 OE2 GLU A 28 129.325 0.742 14.174 1.00 1.85 O ATOM 0 H GLU A 28 133.134 4.462 12.512 1.00 0.33 H new ATOM 0 HA GLU A 28 131.238 5.531 14.390 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.260 3.816 13.257 1.00 0.48 H new ATOM 0 HB3 GLU A 28 131.785 3.022 12.919 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.749 2.321 15.425 1.00 0.81 H new ATOM 0 HG3 GLU A 28 130.060 2.789 15.393 1.00 0.81 H new ATOM 494 N LEU A 29 133.803 3.767 15.479 1.00 0.34 N ATOM 495 CA LEU A 29 134.577 3.404 16.667 1.00 0.38 C ATOM 496 C LEU A 29 134.999 4.641 17.466 1.00 0.42 C ATOM 497 O LEU A 29 135.201 4.560 18.678 1.00 0.80 O ATOM 498 CB LEU A 29 135.815 2.594 16.263 1.00 0.48 C ATOM 499 CG LEU A 29 135.846 1.151 16.779 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.223 0.201 15.765 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.274 0.732 17.098 1.00 0.58 C ATOM 0 H LEU A 29 134.229 3.474 14.599 1.00 0.34 H new ATOM 0 HA LEU A 29 133.937 2.795 17.306 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.879 2.576 15.175 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.703 3.112 16.625 1.00 0.48 H new ATOM 0 HG LEU A 29 135.258 1.102 17.695 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.256 -0.817 16.152 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.187 0.488 15.586 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.780 0.251 14.829 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.279 -0.295 17.463 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.883 0.799 16.196 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.684 1.391 17.863 1.00 0.58 H new ATOM 513 N GLU A 30 135.131 5.783 16.783 1.00 0.42 N ATOM 514 CA GLU A 30 135.528 7.030 17.439 1.00 0.46 C ATOM 515 C GLU A 30 134.422 7.544 18.365 1.00 0.46 C ATOM 516 O GLU A 30 134.705 8.155 19.397 1.00 0.61 O ATOM 517 CB GLU A 30 135.880 8.096 16.398 1.00 0.51 C ATOM 518 CG GLU A 30 137.340 8.069 15.968 1.00 0.57 C ATOM 519 CD GLU A 30 138.039 9.399 16.183 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.427 9.687 17.335 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.200 10.152 15.199 1.00 1.24 O ATOM 0 H GLU A 30 134.969 5.868 15.780 1.00 0.42 H new ATOM 0 HA GLU A 30 136.411 6.822 18.044 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.249 7.957 15.520 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.648 9.080 16.805 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.864 7.293 16.526 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.399 7.799 14.914 1.00 0.57 H new ATOM 528 N ASP A 31 133.163 7.282 17.996 1.00 0.43 N ATOM 529 CA ASP A 31 132.019 7.708 18.801 1.00 0.58 C ATOM 530 C ASP A 31 132.003 6.978 20.142 1.00 0.59 C ATOM 531 O ASP A 31 131.930 7.607 21.200 1.00 0.78 O ATOM 532 CB ASP A 31 130.710 7.448 18.050 1.00 0.71 C ATOM 533 CG ASP A 31 129.762 8.630 18.114 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.049 8.766 19.131 1.00 1.65 O ATOM 535 OD2 ASP A 31 129.735 9.421 17.148 1.00 1.73 O ATOM 0 H ASP A 31 132.914 6.777 17.145 1.00 0.43 H new ATOM 0 HA ASP A 31 132.113 8.778 18.986 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.932 7.220 17.008 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.221 6.570 18.472 1.00 0.71 H new ATOM 540 N TYR A 32 132.085 5.646 20.088 1.00 0.51 N ATOM 541 CA TYR A 32 132.093 4.822 21.296 1.00 0.56 C ATOM 542 C TYR A 32 133.324 5.123 22.154 1.00 0.55 C ATOM 543 O TYR A 32 133.248 5.123 23.383 1.00 0.64 O ATOM 544 CB TYR A 32 132.064 3.333 20.930 1.00 0.61 C ATOM 545 CG TYR A 32 130.676 2.730 20.937 1.00 0.70 C ATOM 546 CD1 TYR A 32 129.882 2.779 22.078 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.160 2.112 19.805 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.614 2.228 22.088 1.00 1.38 C ATOM 549 CE2 TYR A 32 128.893 1.560 19.808 1.00 1.19 C ATOM 550 CZ TYR A 32 128.125 1.621 20.952 1.00 1.23 C ATOM 551 OH TYR A 32 126.863 1.071 20.959 1.00 1.55 O ATOM 0 H TYR A 32 132.147 5.116 19.219 1.00 0.51 H new ATOM 0 HA TYR A 32 131.200 5.063 21.873 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.502 3.203 19.940 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.692 2.784 21.631 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.262 3.255 22.970 1.00 1.15 H new ATOM 0 HD2 TYR A 32 130.759 2.062 18.908 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.010 2.273 22.982 1.00 1.38 H new ATOM 0 HE2 TYR A 32 128.506 1.083 18.919 1.00 1.19 H new ATOM 0 HH TYR A 32 126.670 0.684 20.080 1.00 1.55 H new ATOM 561 N ILE A 33 134.455 5.382 21.494 1.00 0.53 N ATOM 562 CA ILE A 33 135.701 5.690 22.191 1.00 0.62 C ATOM 563 C ILE A 33 135.643 7.065 22.867 1.00 0.58 C ATOM 564 O ILE A 33 136.316 7.291 23.875 1.00 0.77 O ATOM 565 CB ILE A 33 136.911 5.640 21.224 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.233 4.189 20.852 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.133 6.313 21.839 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.099 4.054 19.617 1.00 0.85 C ATOM 0 H ILE A 33 134.531 5.384 20.477 1.00 0.53 H new ATOM 0 HA ILE A 33 135.829 4.929 22.960 1.00 0.62 H new ATOM 0 HB ILE A 33 136.645 6.186 20.319 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.737 3.711 21.692 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.300 3.649 20.691 1.00 0.82 H new ATOM 0 HG21 ILE A 33 138.967 6.263 21.139 1.00 0.94 H new ATOM 0 HG22 ILE A 33 137.903 7.356 22.056 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.404 5.801 22.763 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.285 2.999 19.416 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.589 4.501 18.764 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.048 4.565 19.781 1.00 0.85 H new ATOM 580 N ASP A 34 134.844 7.985 22.313 1.00 0.49 N ATOM 581 CA ASP A 34 134.717 9.332 22.873 1.00 0.54 C ATOM 582 C ASP A 34 134.143 9.310 24.289 1.00 0.44 C ATOM 583 O ASP A 34 134.476 10.167 25.096 1.00 0.47 O ATOM 584 CB ASP A 34 133.838 10.205 21.972 1.00 0.75 C ATOM 585 CG ASP A 34 134.625 11.313 21.298 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.070 12.242 22.007 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.799 11.250 20.062 1.00 1.49 O ATOM 0 H ASP A 34 134.278 7.820 21.480 1.00 0.49 H new ATOM 0 HA ASP A 34 135.720 9.756 22.924 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.369 9.581 21.211 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.035 10.642 22.565 1.00 0.75 H new ATOM 592 N ASN A 35 133.275 8.336 24.579 1.00 0.53 N ATOM 593 CA ASN A 35 132.649 8.207 25.901 1.00 0.57 C ATOM 594 C ASN A 35 133.637 8.522 27.027 1.00 0.47 C ATOM 595 O ASN A 35 133.293 9.222 27.981 1.00 0.58 O ATOM 596 CB ASN A 35 132.079 6.798 26.084 1.00 0.74 C ATOM 597 CG ASN A 35 130.745 6.620 25.379 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.810 7.392 25.593 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.648 5.599 24.533 1.00 1.32 N ATOM 0 H ASN A 35 132.988 7.620 23.912 1.00 0.53 H new ATOM 0 HA ASN A 35 131.838 8.934 25.953 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.791 6.068 25.700 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.956 6.594 27.148 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.775 5.432 24.033 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.447 4.982 24.384 1.00 1.32 H new ATOM 606 N LEU A 36 134.868 8.019 26.900 1.00 0.42 N ATOM 607 CA LEU A 36 135.907 8.269 27.900 1.00 0.47 C ATOM 608 C LEU A 36 136.200 9.766 27.989 1.00 0.42 C ATOM 609 O LEU A 36 136.223 10.341 29.079 1.00 0.53 O ATOM 610 CB LEU A 36 137.192 7.506 27.550 1.00 0.66 C ATOM 611 CG LEU A 36 137.000 6.037 27.157 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.305 5.447 26.642 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.475 5.231 28.337 1.00 1.66 C ATOM 0 H LEU A 36 135.168 7.438 26.117 1.00 0.42 H new ATOM 0 HA LEU A 36 135.546 7.916 28.866 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.688 8.022 26.728 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.865 7.550 28.406 1.00 0.66 H new ATOM 0 HG LEU A 36 136.263 5.989 26.356 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.149 4.404 26.368 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.637 6.006 25.767 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.064 5.508 27.421 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.345 4.191 28.038 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.187 5.286 29.161 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.516 5.638 28.658 1.00 1.66 H new ATOM 625 N LEU A 37 136.404 10.388 26.825 1.00 0.36 N ATOM 626 CA LEU A 37 136.676 11.820 26.743 1.00 0.40 C ATOM 627 C LEU A 37 135.537 12.545 26.013 1.00 0.32 C ATOM 628 O LEU A 37 135.746 13.182 24.977 1.00 0.42 O ATOM 629 CB LEU A 37 138.014 12.069 26.036 1.00 0.56 C ATOM 630 CG LEU A 37 138.149 11.430 24.649 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.896 12.358 23.703 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.851 10.081 24.744 1.00 0.63 C ATOM 0 H LEU A 37 136.385 9.915 25.921 1.00 0.36 H new ATOM 0 HA LEU A 37 136.740 12.218 27.756 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.160 13.145 25.938 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.817 11.694 26.671 1.00 0.56 H new ATOM 0 HG LEU A 37 137.148 11.266 24.249 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.982 11.887 22.724 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.350 13.297 23.608 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.892 12.556 24.099 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.937 9.645 23.749 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.846 10.218 25.167 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.273 9.414 25.384 1.00 0.63 H new ATOM 644 N VAL A 38 134.330 12.429 26.578 1.00 0.29 N ATOM 645 CA VAL A 38 133.126 13.058 26.030 1.00 0.41 C ATOM 646 C VAL A 38 131.969 12.930 27.027 1.00 0.38 C ATOM 647 O VAL A 38 132.023 12.096 27.935 1.00 0.61 O ATOM 648 CB VAL A 38 132.718 12.442 24.666 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.711 11.310 24.843 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.162 13.514 23.740 1.00 0.99 C ATOM 0 H VAL A 38 134.162 11.895 27.430 1.00 0.29 H new ATOM 0 HA VAL A 38 133.353 14.111 25.862 1.00 0.41 H new ATOM 0 HB VAL A 38 133.614 12.020 24.211 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.447 10.902 23.867 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.151 10.525 25.458 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.814 11.693 25.330 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.881 13.063 22.788 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.285 13.971 24.198 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.921 14.277 23.570 1.00 0.99 H new ATOM 660 N ARG A 39 130.930 13.755 26.866 1.00 0.44 N ATOM 661 CA ARG A 39 129.772 13.724 27.766 1.00 0.47 C ATOM 662 C ARG A 39 129.236 12.302 27.940 1.00 0.53 C ATOM 663 O ARG A 39 128.925 11.620 26.961 1.00 0.86 O ATOM 664 CB ARG A 39 128.662 14.640 27.236 1.00 0.59 C ATOM 665 CG ARG A 39 127.372 14.577 28.045 1.00 0.75 C ATOM 666 CD ARG A 39 127.248 15.757 28.998 1.00 0.97 C ATOM 667 NE ARG A 39 126.766 16.962 28.322 1.00 0.93 N ATOM 668 CZ ARG A 39 126.706 18.168 28.893 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.092 18.338 30.156 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.259 19.209 28.198 1.00 1.48 N ATOM 0 H ARG A 39 130.866 14.451 26.123 1.00 0.44 H new ATOM 0 HA ARG A 39 130.101 14.083 28.741 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.025 15.668 27.228 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.445 14.371 26.202 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.518 14.565 27.368 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.343 13.647 28.612 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.565 15.498 29.808 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.218 15.960 29.452 1.00 0.97 H new ATOM 0 HE ARG A 39 126.456 16.876 27.354 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.437 17.544 30.695 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.043 19.262 30.584 1.00 1.27 H new ATOM 0 HH21 ARG A 39 125.962 19.086 27.230 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.213 20.131 28.633 1.00 1.48 H new ATOM 684 N VAL A 40 129.129 11.867 29.197 1.00 0.46 N ATOM 685 CA VAL A 40 128.627 10.531 29.512 1.00 0.53 C ATOM 686 C VAL A 40 127.173 10.587 29.982 1.00 0.53 C ATOM 687 O VAL A 40 126.807 11.437 30.797 1.00 0.66 O ATOM 688 CB VAL A 40 129.489 9.835 30.592 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.902 9.598 30.077 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.516 10.648 31.883 1.00 0.78 C ATOM 0 H VAL A 40 129.384 12.423 30.014 1.00 0.46 H new ATOM 0 HA VAL A 40 128.686 9.948 28.593 1.00 0.53 H new ATOM 0 HB VAL A 40 129.035 8.869 30.814 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.494 9.108 30.850 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.865 8.964 29.191 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.361 10.553 29.820 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.129 10.135 32.624 1.00 0.78 H new ATOM 0 HG22 VAL A 40 129.937 11.633 31.684 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.501 10.758 32.265 1.00 0.78 H new ATOM 700 N MET A 41 126.349 9.680 29.457 1.00 0.53 N ATOM 701 CA MET A 41 124.933 9.624 29.817 1.00 0.60 C ATOM 702 C MET A 41 124.639 8.407 30.690 1.00 0.86 C ATOM 703 O MET A 41 124.922 8.408 31.888 1.00 1.20 O ATOM 704 CB MET A 41 124.058 9.592 28.557 1.00 0.75 C ATOM 705 CG MET A 41 124.363 8.430 27.621 1.00 0.56 C ATOM 706 SD MET A 41 123.004 8.071 26.491 1.00 0.67 S ATOM 707 CE MET A 41 123.235 9.355 25.263 1.00 0.54 C ATOM 0 H MET A 41 126.639 8.974 28.780 1.00 0.53 H new ATOM 0 HA MET A 41 124.696 10.522 30.388 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.011 9.540 28.855 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.188 10.527 28.013 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.259 8.659 27.044 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.583 7.541 28.212 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.468 9.265 24.494 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.158 10.332 25.740 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.220 9.250 24.807 1.00 0.54 H new ATOM 718 N GLY B 1 135.170 4.601 -27.312 1.00 0.61 N ATOM 719 CA GLY B 1 136.474 4.099 -27.830 1.00 0.61 C ATOM 720 C GLY B 1 136.956 2.864 -27.093 1.00 0.52 C ATOM 721 O GLY B 1 136.798 1.743 -27.580 1.00 0.60 O ATOM 0 H1 GLY B 1 134.885 5.445 -27.849 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.446 3.862 -27.419 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.267 4.847 -26.306 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.376 3.869 -28.891 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.223 4.886 -27.742 1.00 0.61 H new ATOM 727 N SER B 2 137.541 3.074 -25.914 1.00 0.50 N ATOM 728 CA SER B 2 138.047 1.971 -25.098 1.00 0.49 C ATOM 729 C SER B 2 137.324 1.886 -23.752 1.00 0.47 C ATOM 730 O SER B 2 137.784 1.188 -22.849 1.00 0.63 O ATOM 731 CB SER B 2 139.557 2.117 -24.879 1.00 0.55 C ATOM 732 OG SER B 2 140.270 1.890 -26.083 1.00 0.67 O ATOM 0 H SER B 2 137.676 3.998 -25.503 1.00 0.50 H new ATOM 0 HA SER B 2 137.853 1.045 -25.640 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.779 3.116 -24.504 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.888 1.410 -24.118 1.00 0.55 H new ATOM 0 HG SER B 2 141.231 1.990 -25.918 1.00 0.67 H new ATOM 738 N LEU B 3 136.177 2.566 -23.627 1.00 0.48 N ATOM 739 CA LEU B 3 135.394 2.518 -22.393 1.00 0.55 C ATOM 740 C LEU B 3 134.578 1.227 -22.375 1.00 0.65 C ATOM 741 O LEU B 3 133.350 1.247 -22.485 1.00 1.02 O ATOM 742 CB LEU B 3 134.467 3.737 -22.279 1.00 0.62 C ATOM 743 CG LEU B 3 135.085 4.970 -21.612 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.957 5.731 -22.600 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.997 5.876 -21.046 1.00 0.76 C ATOM 0 H LEU B 3 135.776 3.150 -24.361 1.00 0.48 H new ATOM 0 HA LEU B 3 136.072 2.539 -21.540 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.134 4.014 -23.279 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.580 3.447 -21.717 1.00 0.62 H new ATOM 0 HG LEU B 3 135.714 4.635 -20.787 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.387 6.603 -22.108 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.758 5.082 -22.954 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.351 6.054 -23.447 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.456 6.746 -20.576 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.340 6.203 -21.852 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.416 5.328 -20.304 1.00 0.76 H new ATOM 757 N THR B 4 135.283 0.101 -22.274 1.00 0.46 N ATOM 758 CA THR B 4 134.658 -1.216 -22.280 1.00 0.55 C ATOM 759 C THR B 4 135.472 -2.206 -21.430 1.00 0.42 C ATOM 760 O THR B 4 136.230 -1.797 -20.552 1.00 0.43 O ATOM 761 CB THR B 4 134.515 -1.714 -23.733 1.00 0.72 C ATOM 762 OG1 THR B 4 135.452 -1.077 -24.586 1.00 0.70 O ATOM 763 CG2 THR B 4 133.136 -1.477 -24.310 1.00 0.90 C ATOM 0 H THR B 4 136.299 0.078 -22.186 1.00 0.46 H new ATOM 0 HA THR B 4 133.664 -1.144 -21.838 1.00 0.55 H new ATOM 0 HB THR B 4 134.697 -2.788 -23.686 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.342 -1.411 -25.501 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.101 -1.849 -25.334 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.394 -2.002 -23.707 1.00 0.90 H new ATOM 0 HG23 THR B 4 132.918 -0.409 -24.305 1.00 0.90 H new ATOM 771 N TYR B 5 135.283 -3.503 -21.688 1.00 0.50 N ATOM 772 CA TYR B 5 135.974 -4.575 -20.953 1.00 0.45 C ATOM 773 C TYR B 5 137.433 -4.212 -20.637 1.00 0.41 C ATOM 774 O TYR B 5 137.840 -4.215 -19.475 1.00 0.46 O ATOM 775 CB TYR B 5 135.926 -5.879 -21.754 1.00 0.57 C ATOM 776 CG TYR B 5 136.589 -7.053 -21.062 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.144 -7.498 -19.822 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.658 -7.719 -21.651 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.744 -8.569 -19.190 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.263 -8.792 -21.024 1.00 0.92 C ATOM 781 CZ TYR B 5 137.802 -9.213 -19.794 1.00 0.67 C ATOM 782 OH TYR B 5 138.401 -10.282 -19.167 1.00 0.84 O ATOM 0 H TYR B 5 134.648 -3.843 -22.411 1.00 0.50 H new ATOM 0 HA TYR B 5 135.453 -4.706 -20.005 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.885 -6.131 -21.957 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.409 -5.719 -22.718 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.315 -6.997 -19.345 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.022 -7.393 -22.614 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.386 -8.901 -18.227 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.093 -9.298 -21.495 1.00 0.92 H new ATOM 0 HH TYR B 5 139.130 -10.623 -19.727 1.00 0.84 H new ATOM 792 N GLU B 6 138.214 -3.921 -21.681 1.00 0.49 N ATOM 793 CA GLU B 6 139.632 -3.570 -21.527 1.00 0.50 C ATOM 794 C GLU B 6 139.842 -2.417 -20.533 1.00 0.38 C ATOM 795 O GLU B 6 140.894 -2.325 -19.896 1.00 0.44 O ATOM 796 CB GLU B 6 140.224 -3.192 -22.889 1.00 0.62 C ATOM 797 CG GLU B 6 141.710 -3.490 -23.017 1.00 0.68 C ATOM 798 CD GLU B 6 142.214 -3.351 -24.442 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.600 -2.227 -24.829 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.225 -4.365 -25.171 1.00 1.14 O ATOM 0 H GLU B 6 137.888 -3.921 -22.647 1.00 0.49 H new ATOM 0 HA GLU B 6 140.143 -4.446 -21.126 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.687 -3.730 -23.670 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.060 -2.129 -23.063 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.269 -2.814 -22.370 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.905 -4.503 -22.664 1.00 0.68 H new ATOM 807 N GLU B 7 138.835 -1.550 -20.399 1.00 0.32 N ATOM 808 CA GLU B 7 138.910 -0.413 -19.480 1.00 0.29 C ATOM 809 C GLU B 7 138.658 -0.849 -18.037 1.00 0.27 C ATOM 810 O GLU B 7 139.462 -0.562 -17.147 1.00 0.43 O ATOM 811 CB GLU B 7 137.895 0.664 -19.872 1.00 0.43 C ATOM 812 CG GLU B 7 138.432 2.083 -19.757 1.00 0.57 C ATOM 813 CD GLU B 7 138.130 2.712 -18.410 1.00 0.72 C ATOM 814 OE1 GLU B 7 137.029 3.282 -18.254 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.994 2.633 -17.510 1.00 0.80 O ATOM 0 H GLU B 7 137.958 -1.614 -20.916 1.00 0.32 H new ATOM 0 HA GLU B 7 139.917 -0.002 -19.549 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.572 0.490 -20.898 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.013 0.567 -19.239 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.510 2.074 -19.916 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.998 2.697 -20.546 1.00 0.57 H new ATOM 822 N VAL B 8 137.538 -1.546 -17.812 1.00 0.35 N ATOM 823 CA VAL B 8 137.180 -2.021 -16.474 1.00 0.37 C ATOM 824 C VAL B 8 138.280 -2.900 -15.872 1.00 0.28 C ATOM 825 O VAL B 8 138.449 -2.933 -14.651 1.00 0.40 O ATOM 826 CB VAL B 8 135.831 -2.781 -16.476 1.00 0.54 C ATOM 827 CG1 VAL B 8 135.924 -4.079 -17.266 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.362 -3.045 -15.051 1.00 0.78 C ATOM 0 H VAL B 8 136.866 -1.792 -18.539 1.00 0.35 H new ATOM 0 HA VAL B 8 137.070 -1.135 -15.849 1.00 0.37 H new ATOM 0 HB VAL B 8 135.093 -2.149 -16.970 1.00 0.54 H new ATOM 0 HG11 VAL B 8 134.960 -4.587 -17.247 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.197 -3.858 -18.298 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.682 -4.723 -16.820 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.413 -3.580 -15.074 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.105 -3.647 -14.529 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.232 -2.097 -14.529 1.00 0.78 H new ATOM 838 N LEU B 9 139.042 -3.595 -16.727 1.00 0.35 N ATOM 839 CA LEU B 9 140.137 -4.447 -16.261 1.00 0.49 C ATOM 840 C LEU B 9 141.173 -3.602 -15.524 1.00 0.52 C ATOM 841 O LEU B 9 141.449 -3.832 -14.346 1.00 0.74 O ATOM 842 CB LEU B 9 140.796 -5.175 -17.440 1.00 0.65 C ATOM 843 CG LEU B 9 140.200 -6.545 -17.778 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.615 -6.975 -19.177 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.627 -7.585 -16.750 1.00 0.76 C ATOM 0 H LEU B 9 138.919 -3.582 -17.739 1.00 0.35 H new ATOM 0 HA LEU B 9 139.730 -5.194 -15.579 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.727 -4.539 -18.323 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.856 -5.302 -17.221 1.00 0.65 H new ATOM 0 HG LEU B 9 139.113 -6.463 -17.750 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.183 -7.950 -19.401 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.258 -6.245 -19.903 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.702 -7.039 -19.231 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.193 -8.551 -17.008 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.714 -7.665 -16.744 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.280 -7.284 -15.762 1.00 0.76 H new ATOM 857 N GLN B 10 141.745 -2.624 -16.235 1.00 0.41 N ATOM 858 CA GLN B 10 142.753 -1.731 -15.659 1.00 0.48 C ATOM 859 C GLN B 10 142.247 -1.098 -14.360 1.00 0.42 C ATOM 860 O GLN B 10 143.010 -0.931 -13.408 1.00 0.48 O ATOM 861 CB GLN B 10 143.134 -0.628 -16.656 1.00 0.58 C ATOM 862 CG GLN B 10 143.722 -1.148 -17.961 1.00 0.66 C ATOM 863 CD GLN B 10 145.219 -0.917 -18.066 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.018 -1.758 -17.652 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.611 0.227 -18.621 1.00 0.83 N ATOM 0 H GLN B 10 141.525 -2.432 -17.212 1.00 0.41 H new ATOM 0 HA GLN B 10 143.636 -2.330 -15.436 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.248 -0.033 -16.880 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.855 0.040 -16.185 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.517 -2.215 -18.047 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.224 -0.659 -18.799 1.00 0.66 H new ATOM 0 HE21 GLN B 10 144.917 0.898 -18.951 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.605 0.433 -18.716 1.00 0.83 H new ATOM 874 N GLU B 11 140.957 -0.747 -14.329 1.00 0.40 N ATOM 875 CA GLU B 11 140.346 -0.132 -13.148 1.00 0.42 C ATOM 876 C GLU B 11 140.602 -0.953 -11.876 1.00 0.37 C ATOM 877 O GLU B 11 140.669 -0.394 -10.780 1.00 0.54 O ATOM 878 CB GLU B 11 138.840 0.044 -13.360 1.00 0.48 C ATOM 879 CG GLU B 11 138.483 1.212 -14.268 1.00 0.62 C ATOM 880 CD GLU B 11 137.034 1.179 -14.722 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.137 1.167 -13.852 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.797 1.165 -15.949 1.00 1.61 O ATOM 0 H GLU B 11 140.315 -0.879 -15.111 1.00 0.40 H new ATOM 0 HA GLU B 11 140.811 0.844 -13.013 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.432 -0.873 -13.785 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.360 0.188 -12.392 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.674 2.147 -13.742 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.134 1.200 -15.142 1.00 0.62 H new ATOM 889 N LEU B 12 140.750 -2.275 -12.023 1.00 0.32 N ATOM 890 CA LEU B 12 141.003 -3.155 -10.879 1.00 0.30 C ATOM 891 C LEU B 12 142.435 -3.007 -10.346 1.00 0.28 C ATOM 892 O LEU B 12 142.634 -2.620 -9.197 1.00 0.36 O ATOM 893 CB LEU B 12 140.768 -4.621 -11.270 1.00 0.32 C ATOM 894 CG LEU B 12 139.735 -5.374 -10.425 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.219 -5.525 -8.988 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.388 -4.665 -10.469 1.00 0.54 C ATOM 0 H LEU B 12 140.699 -2.757 -12.921 1.00 0.32 H new ATOM 0 HA LEU B 12 140.309 -2.860 -10.092 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.452 -4.654 -12.313 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.718 -5.152 -11.208 1.00 0.32 H new ATOM 0 HG LEU B 12 139.610 -6.371 -10.847 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.470 -6.062 -8.406 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.156 -6.082 -8.976 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.378 -4.539 -8.552 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.668 -5.215 -9.863 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.496 -3.654 -10.076 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.035 -4.618 -11.499 1.00 0.54 H new ATOM 908 N VAL B 13 143.416 -3.224 -11.234 1.00 0.25 N ATOM 909 CA VAL B 13 144.828 -3.048 -10.882 1.00 0.26 C ATOM 910 C VAL B 13 145.078 -1.668 -10.245 1.00 0.22 C ATOM 911 O VAL B 13 145.954 -1.524 -9.389 1.00 0.26 O ATOM 912 CB VAL B 13 145.762 -3.249 -12.098 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.938 -1.962 -12.895 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.111 -3.788 -11.644 1.00 0.52 C ATOM 0 H VAL B 13 143.256 -3.520 -12.197 1.00 0.25 H new ATOM 0 HA VAL B 13 145.063 -3.820 -10.149 1.00 0.26 H new ATOM 0 HB VAL B 13 145.294 -3.979 -12.759 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.601 -2.145 -13.741 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.968 -1.625 -13.261 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.371 -1.194 -12.254 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.758 -3.925 -12.510 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.572 -3.081 -10.954 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.970 -4.745 -11.142 1.00 0.52 H new ATOM 924 N LYS B 14 144.286 -0.667 -10.654 1.00 0.24 N ATOM 925 CA LYS B 14 144.405 0.684 -10.108 1.00 0.25 C ATOM 926 C LYS B 14 144.105 0.668 -8.608 1.00 0.22 C ATOM 927 O LYS B 14 144.961 1.015 -7.795 1.00 0.29 O ATOM 928 CB LYS B 14 143.455 1.649 -10.830 1.00 0.34 C ATOM 929 CG LYS B 14 144.137 2.908 -11.344 1.00 0.87 C ATOM 930 CD LYS B 14 143.144 3.851 -12.009 1.00 0.75 C ATOM 931 CE LYS B 14 143.559 5.308 -11.855 1.00 0.70 C ATOM 932 NZ LYS B 14 143.952 5.921 -13.156 1.00 0.72 N ATOM 0 H LYS B 14 143.558 -0.771 -11.361 1.00 0.24 H new ATOM 0 HA LYS B 14 145.426 1.032 -10.264 1.00 0.25 H new ATOM 0 HB2 LYS B 14 142.992 1.129 -11.669 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.653 1.933 -10.149 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.628 3.420 -10.517 1.00 0.87 H new ATOM 0 HG3 LYS B 14 144.915 2.636 -12.057 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.063 3.606 -13.068 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.156 3.706 -11.572 1.00 0.75 H new ATOM 0 HE2 LYS B 14 142.735 5.875 -11.422 1.00 0.70 H new ATOM 0 HE3 LYS B 14 144.393 5.375 -11.157 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.227 6.912 -13.004 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.755 5.397 -13.558 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.148 5.882 -13.815 1.00 0.72 H new ATOM 946 N HIS B 15 142.889 0.242 -8.253 1.00 0.24 N ATOM 947 CA HIS B 15 142.475 0.156 -6.849 1.00 0.27 C ATOM 948 C HIS B 15 143.378 -0.809 -6.080 1.00 0.25 C ATOM 949 O HIS B 15 143.790 -0.522 -4.955 1.00 0.45 O ATOM 950 CB HIS B 15 141.019 -0.314 -6.745 1.00 0.33 C ATOM 951 CG HIS B 15 140.015 0.687 -7.234 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.775 0.852 -6.653 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.068 1.573 -8.257 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.110 1.794 -7.298 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.873 2.248 -8.275 1.00 0.76 N ATOM 0 H HIS B 15 142.173 -0.049 -8.919 1.00 0.24 H new ATOM 0 HA HIS B 15 142.562 1.151 -6.411 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.905 -1.236 -7.316 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.800 -0.554 -5.705 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.897 1.721 -8.933 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.112 2.135 -7.065 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.616 2.981 -8.936 1.00 0.76 H new ATOM 964 N LYS B 16 143.676 -1.952 -6.705 1.00 0.21 N ATOM 965 CA LYS B 16 144.533 -2.969 -6.090 1.00 0.27 C ATOM 966 C LYS B 16 145.834 -2.332 -5.602 1.00 0.36 C ATOM 967 O LYS B 16 146.132 -2.352 -4.406 1.00 0.69 O ATOM 968 CB LYS B 16 144.831 -4.094 -7.087 1.00 0.35 C ATOM 969 CG LYS B 16 143.658 -5.036 -7.310 1.00 0.46 C ATOM 970 CD LYS B 16 144.084 -6.300 -8.040 1.00 0.49 C ATOM 971 CE LYS B 16 144.483 -7.401 -7.068 1.00 0.53 C ATOM 972 NZ LYS B 16 145.815 -7.986 -7.397 1.00 0.61 N ATOM 0 H LYS B 16 143.337 -2.196 -7.636 1.00 0.21 H new ATOM 0 HA LYS B 16 144.009 -3.397 -5.236 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.120 -3.655 -8.042 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.685 -4.669 -6.729 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.217 -5.302 -6.349 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.886 -4.526 -7.886 1.00 0.46 H new ATOM 0 HD2 LYS B 16 143.267 -6.649 -8.671 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.922 -6.075 -8.700 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.505 -6.999 -6.055 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.729 -8.188 -7.083 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.046 -8.731 -6.710 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.789 -8.393 -8.354 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.540 -7.242 -7.358 1.00 0.61 H new ATOM 986 N GLU B 17 146.603 -1.764 -6.535 1.00 0.30 N ATOM 987 CA GLU B 17 147.873 -1.113 -6.205 1.00 0.38 C ATOM 988 C GLU B 17 147.664 0.064 -5.246 1.00 0.32 C ATOM 989 O GLU B 17 148.516 0.338 -4.400 1.00 0.40 O ATOM 990 CB GLU B 17 148.569 -0.627 -7.481 1.00 0.51 C ATOM 991 CG GLU B 17 150.043 -0.301 -7.288 1.00 0.80 C ATOM 992 CD GLU B 17 150.492 0.888 -8.116 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.400 2.029 -7.616 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.935 0.678 -9.265 1.00 1.47 O ATOM 0 H GLU B 17 146.367 -1.742 -7.527 1.00 0.30 H new ATOM 0 HA GLU B 17 148.504 -1.850 -5.708 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.473 -1.393 -8.251 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.055 0.261 -7.849 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.231 -0.096 -6.234 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.642 -1.172 -7.555 1.00 0.80 H new ATOM 1001 N LEU B 18 146.524 0.752 -5.380 1.00 0.32 N ATOM 1002 CA LEU B 18 146.203 1.893 -4.519 1.00 0.34 C ATOM 1003 C LEU B 18 146.087 1.468 -3.052 1.00 0.35 C ATOM 1004 O LEU B 18 146.433 2.233 -2.150 1.00 0.66 O ATOM 1005 CB LEU B 18 144.897 2.554 -4.971 1.00 0.51 C ATOM 1006 CG LEU B 18 145.045 3.579 -6.098 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.700 3.843 -6.760 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.644 4.873 -5.566 1.00 0.75 C ATOM 0 H LEU B 18 145.810 0.538 -6.076 1.00 0.32 H new ATOM 0 HA LEU B 18 147.018 2.611 -4.605 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.208 1.775 -5.297 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.440 3.045 -4.112 1.00 0.51 H new ATOM 0 HG LEU B 18 145.722 3.171 -6.849 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.825 4.574 -7.559 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.311 2.914 -7.176 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.000 4.230 -6.020 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.742 5.590 -6.381 1.00 0.75 H new ATOM 0 HD22 LEU B 18 144.993 5.286 -4.796 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.627 4.671 -5.140 1.00 0.75 H new ATOM 1020 N LEU B 19 145.626 0.234 -2.824 1.00 0.45 N ATOM 1021 CA LEU B 19 145.490 -0.306 -1.470 1.00 0.47 C ATOM 1022 C LEU B 19 146.856 -0.696 -0.900 1.00 0.33 C ATOM 1023 O LEU B 19 147.054 -0.688 0.316 1.00 0.45 O ATOM 1024 CB LEU B 19 144.557 -1.521 -1.473 1.00 0.63 C ATOM 1025 CG LEU B 19 143.065 -1.192 -1.592 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.387 -2.123 -2.587 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.390 -1.280 -0.231 1.00 0.96 C ATOM 0 H LEU B 19 145.341 -0.410 -3.562 1.00 0.45 H new ATOM 0 HA LEU B 19 145.060 0.470 -0.837 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.837 -2.173 -2.300 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.717 -2.085 -0.554 1.00 0.63 H new ATOM 0 HG LEU B 19 142.967 -0.171 -1.960 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.328 -1.873 -2.657 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.852 -2.010 -3.566 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.494 -3.155 -2.252 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.331 -1.043 -0.334 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.499 -2.290 0.165 1.00 0.96 H new ATOM 0 HD23 LEU B 19 142.856 -0.570 0.453 1.00 0.96 H new ATOM 1039 N ARG B 20 147.798 -1.019 -1.790 1.00 0.35 N ATOM 1040 CA ARG B 20 149.150 -1.391 -1.383 1.00 0.49 C ATOM 1041 C ARG B 20 149.937 -0.143 -0.981 1.00 0.40 C ATOM 1042 O ARG B 20 150.461 -0.065 0.130 1.00 0.49 O ATOM 1043 CB ARG B 20 149.872 -2.129 -2.518 1.00 0.76 C ATOM 1044 CG ARG B 20 149.492 -3.599 -2.633 1.00 0.85 C ATOM 1045 CD ARG B 20 149.553 -4.080 -4.075 1.00 0.96 C ATOM 1046 NE ARG B 20 149.223 -5.501 -4.195 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.073 -6.496 -3.921 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.318 -6.236 -3.527 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.676 -7.759 -4.045 1.00 1.59 N ATOM 0 H ARG B 20 147.646 -1.030 -2.799 1.00 0.35 H new ATOM 0 HA ARG B 20 149.083 -2.060 -0.525 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.650 -1.631 -3.462 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.948 -2.052 -2.362 1.00 0.76 H new ATOM 0 HG2 ARG B 20 150.165 -4.199 -2.020 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.486 -3.747 -2.241 1.00 0.85 H new ATOM 0 HD2 ARG B 20 148.862 -3.495 -4.682 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.553 -3.905 -4.473 1.00 0.96 H new ATOM 0 HE ARG B 20 148.284 -5.748 -4.508 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.632 -5.270 -3.432 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.958 -7.003 -3.321 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.725 -7.967 -4.349 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.323 -8.520 -3.837 1.00 1.59 H new ATOM 1063 N ARG B 21 150.008 0.829 -1.899 1.00 0.35 N ATOM 1064 CA ARG B 21 150.725 2.083 -1.653 1.00 0.35 C ATOM 1065 C ARG B 21 150.259 2.734 -0.349 1.00 0.34 C ATOM 1066 O ARG B 21 151.078 3.086 0.499 1.00 0.47 O ATOM 1067 CB ARG B 21 150.529 3.053 -2.828 1.00 0.45 C ATOM 1068 CG ARG B 21 151.028 4.466 -2.550 1.00 0.70 C ATOM 1069 CD ARG B 21 151.185 5.273 -3.832 1.00 0.98 C ATOM 1070 NE ARG B 21 152.566 5.718 -4.036 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.919 6.752 -4.808 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.999 7.456 -5.464 1.00 2.12 N ATOM 1073 NH2 ARG B 21 154.201 7.081 -4.926 1.00 1.53 N ATOM 0 H ARG B 21 149.576 0.769 -2.821 1.00 0.35 H new ATOM 0 HA ARG B 21 151.786 1.851 -1.560 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.048 2.660 -3.702 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.469 3.095 -3.079 1.00 0.45 H new ATOM 0 HG2 ARG B 21 150.330 4.974 -1.884 1.00 0.70 H new ATOM 0 HG3 ARG B 21 151.985 4.418 -2.031 1.00 0.70 H new ATOM 0 HD2 ARG B 21 150.870 4.668 -4.682 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.526 6.141 -3.797 1.00 0.98 H new ATOM 0 HE ARG B 21 153.307 5.206 -3.558 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.013 7.209 -5.381 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.280 8.242 -6.050 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.913 6.546 -4.429 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.473 7.869 -5.514 1.00 1.53 H new ATOM 1087 N LYS B 22 148.940 2.896 -0.204 1.00 0.30 N ATOM 1088 CA LYS B 22 148.352 3.509 0.991 1.00 0.36 C ATOM 1089 C LYS B 22 148.918 2.909 2.281 1.00 0.31 C ATOM 1090 O LYS B 22 149.164 3.631 3.249 1.00 0.36 O ATOM 1091 CB LYS B 22 146.830 3.347 0.967 1.00 0.47 C ATOM 1092 CG LYS B 22 146.087 4.370 1.812 1.00 0.69 C ATOM 1093 CD LYS B 22 144.656 4.554 1.329 1.00 0.86 C ATOM 1094 CE LYS B 22 143.646 4.097 2.371 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.477 5.094 3.467 1.00 0.70 N ATOM 0 H LYS B 22 148.256 2.609 -0.904 1.00 0.30 H new ATOM 0 HA LYS B 22 148.610 4.568 0.977 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.483 3.421 -0.064 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.575 2.347 1.318 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.083 4.050 2.854 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.611 5.325 1.774 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.484 5.604 1.092 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.508 3.991 0.408 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.684 3.922 1.890 1.00 0.70 H new ATOM 0 HE3 LYS B 22 143.968 3.146 2.794 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.780 4.741 4.153 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.389 5.243 3.945 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.144 5.995 3.068 1.00 0.70 H new ATOM 1109 N ASP B 23 149.136 1.592 2.288 1.00 0.32 N ATOM 1110 CA ASP B 23 149.686 0.910 3.460 1.00 0.32 C ATOM 1111 C ASP B 23 151.201 1.090 3.528 1.00 0.30 C ATOM 1112 O ASP B 23 151.761 1.277 4.607 1.00 0.37 O ATOM 1113 CB ASP B 23 149.333 -0.580 3.430 1.00 0.36 C ATOM 1114 CG ASP B 23 147.949 -0.856 3.986 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.961 -0.651 3.250 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.854 -1.276 5.159 1.00 1.11 O ATOM 0 H ASP B 23 148.940 0.978 1.497 1.00 0.32 H new ATOM 0 HA ASP B 23 149.243 1.356 4.351 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.389 -0.944 2.404 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.071 -1.138 4.006 1.00 0.36 H new ATOM 1121 N THR B 24 151.860 1.037 2.368 1.00 0.28 N ATOM 1122 CA THR B 24 153.311 1.205 2.298 1.00 0.29 C ATOM 1123 C THR B 24 153.722 2.614 2.742 1.00 0.27 C ATOM 1124 O THR B 24 154.811 2.805 3.281 1.00 0.32 O ATOM 1125 CB THR B 24 153.814 0.937 0.873 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.338 -0.312 0.397 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.324 0.921 0.764 1.00 0.55 C ATOM 0 H THR B 24 151.411 0.879 1.466 1.00 0.28 H new ATOM 0 HA THR B 24 153.766 0.483 2.976 1.00 0.29 H new ATOM 0 HB THR B 24 153.429 1.762 0.273 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.383 -0.240 0.187 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.612 0.726 -0.269 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.722 1.887 1.076 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.727 0.138 1.407 1.00 0.55 H new ATOM 1135 N HIS B 25 152.836 3.593 2.519 1.00 0.26 N ATOM 1136 CA HIS B 25 153.105 4.977 2.904 1.00 0.29 C ATOM 1137 C HIS B 25 153.131 5.116 4.424 1.00 0.31 C ATOM 1138 O HIS B 25 154.136 5.541 4.993 1.00 0.41 O ATOM 1139 CB HIS B 25 152.060 5.923 2.303 1.00 0.34 C ATOM 1140 CG HIS B 25 152.660 7.143 1.679 1.00 0.34 C ATOM 1141 ND1 HIS B 25 152.987 8.272 2.400 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.007 7.405 0.396 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.509 9.175 1.589 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.533 8.673 0.369 1.00 0.74 N ATOM 0 H HIS B 25 151.929 3.449 2.075 1.00 0.26 H new ATOM 0 HA HIS B 25 154.084 5.252 2.512 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.482 5.385 1.552 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.363 6.227 3.084 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.892 6.741 -0.448 1.00 0.94 H new ATOM 0 HE1 HIS B 25 153.857 10.156 1.876 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.886 9.150 -0.461 1.00 0.74 H new ATOM 1153 N ILE B 26 152.028 4.740 5.077 1.00 0.29 N ATOM 1154 CA ILE B 26 151.939 4.806 6.538 1.00 0.35 C ATOM 1155 C ILE B 26 152.988 3.893 7.186 1.00 0.35 C ATOM 1156 O ILE B 26 153.508 4.194 8.262 1.00 0.47 O ATOM 1157 CB ILE B 26 150.530 4.421 7.050 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.093 3.060 6.493 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.519 5.498 6.678 1.00 0.54 C ATOM 1160 CD1 ILE B 26 150.331 1.906 7.445 1.00 0.68 C ATOM 0 H ILE B 26 151.187 4.388 4.619 1.00 0.29 H new ATOM 0 HA ILE B 26 152.132 5.841 6.822 1.00 0.35 H new ATOM 0 HB ILE B 26 150.574 4.342 8.136 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.032 3.102 6.246 1.00 0.40 H new ATOM 0 HG13 ILE B 26 150.629 2.869 5.564 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.533 5.213 7.045 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.814 6.445 7.129 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.486 5.607 5.594 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.997 0.977 6.982 1.00 0.68 H new ATOM 0 HD12 ILE B 26 151.395 1.836 7.673 1.00 0.68 H new ATOM 0 HD13 ILE B 26 149.773 2.073 8.366 1.00 0.68 H new ATOM 1172 N ARG B 27 153.305 2.792 6.500 1.00 0.31 N ATOM 1173 CA ARG B 27 154.307 1.838 6.974 1.00 0.37 C ATOM 1174 C ARG B 27 155.703 2.462 6.909 1.00 0.34 C ATOM 1175 O ARG B 27 156.525 2.267 7.806 1.00 0.39 O ATOM 1176 CB ARG B 27 154.262 0.557 6.135 1.00 0.46 C ATOM 1177 CG ARG B 27 155.153 -0.556 6.665 1.00 0.53 C ATOM 1178 CD ARG B 27 156.241 -0.918 5.665 1.00 0.80 C ATOM 1179 NE ARG B 27 157.260 -1.794 6.245 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.291 -2.293 5.556 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.444 -2.003 4.267 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.173 -3.085 6.159 1.00 1.67 N ATOM 0 H ARG B 27 152.878 2.539 5.609 1.00 0.31 H new ATOM 0 HA ARG B 27 154.083 1.584 8.010 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.234 0.198 6.093 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.560 0.792 5.113 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.609 -0.243 7.604 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.548 -1.436 6.882 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.790 -1.410 4.803 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.714 -0.006 5.300 1.00 0.80 H new ATOM 0 HE ARG B 27 157.179 -2.038 7.232 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.772 -1.396 3.798 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.233 -2.388 3.748 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.063 -3.312 7.147 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.960 -3.466 5.633 1.00 1.67 H new ATOM 1196 N GLU B 28 155.950 3.224 5.840 1.00 0.33 N ATOM 1197 CA GLU B 28 157.232 3.900 5.639 1.00 0.36 C ATOM 1198 C GLU B 28 157.366 5.095 6.587 1.00 0.35 C ATOM 1199 O GLU B 28 158.433 5.329 7.159 1.00 0.44 O ATOM 1200 CB GLU B 28 157.360 4.354 4.174 1.00 0.47 C ATOM 1201 CG GLU B 28 158.033 5.709 3.979 1.00 0.78 C ATOM 1202 CD GLU B 28 157.771 6.293 2.602 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.641 6.773 2.366 1.00 1.62 O ATOM 1204 OE2 GLU B 28 158.693 6.267 1.760 1.00 1.79 O ATOM 0 H GLU B 28 155.272 3.388 5.096 1.00 0.33 H new ATOM 0 HA GLU B 28 158.037 3.200 5.862 1.00 0.36 H new ATOM 0 HB2 GLU B 28 157.925 3.601 3.623 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.364 4.392 3.732 1.00 0.47 H new ATOM 0 HG2 GLU B 28 157.674 6.403 4.739 1.00 0.78 H new ATOM 0 HG3 GLU B 28 159.108 5.602 4.127 1.00 0.78 H new ATOM 1211 N LEU B 29 156.271 5.841 6.744 1.00 0.33 N ATOM 1212 CA LEU B 29 156.241 7.015 7.617 1.00 0.38 C ATOM 1213 C LEU B 29 156.531 6.648 9.075 1.00 0.42 C ATOM 1214 O LEU B 29 157.029 7.477 9.838 1.00 0.79 O ATOM 1215 CB LEU B 29 154.878 7.709 7.526 1.00 0.46 C ATOM 1216 CG LEU B 29 154.905 9.128 6.949 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.692 9.101 5.442 1.00 0.82 C ATOM 1218 CD2 LEU B 29 153.852 9.996 7.623 1.00 0.59 C ATOM 0 H LEU B 29 155.386 5.650 6.273 1.00 0.33 H new ATOM 0 HA LEU B 29 157.023 7.693 7.276 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.217 7.097 6.912 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.441 7.748 8.524 1.00 0.46 H new ATOM 0 HG LEU B 29 155.886 9.560 7.146 1.00 0.47 H new ATOM 0 HD11 LEU B 29 154.715 10.119 5.053 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.483 8.516 4.973 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.725 8.649 5.219 1.00 0.82 H new ATOM 0 HD21 LEU B 29 153.885 11.001 7.202 1.00 0.59 H new ATOM 0 HD22 LEU B 29 152.865 9.565 7.457 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.052 10.045 8.693 1.00 0.59 H new ATOM 1230 N GLU B 30 156.241 5.399 9.453 1.00 0.43 N ATOM 1231 CA GLU B 30 156.490 4.931 10.817 1.00 0.45 C ATOM 1232 C GLU B 30 157.991 4.808 11.095 1.00 0.44 C ATOM 1233 O GLU B 30 158.436 5.020 12.224 1.00 0.58 O ATOM 1234 CB GLU B 30 155.798 3.585 11.056 1.00 0.51 C ATOM 1235 CG GLU B 30 154.366 3.717 11.553 1.00 0.58 C ATOM 1236 CD GLU B 30 154.133 2.999 12.870 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.507 3.556 13.924 1.00 1.35 O ATOM 1238 OE2 GLU B 30 153.577 1.881 12.847 1.00 1.26 O ATOM 0 H GLU B 30 155.835 4.697 8.834 1.00 0.43 H new ATOM 0 HA GLU B 30 156.076 5.669 11.504 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.800 3.015 10.127 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.375 3.013 11.783 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.123 4.773 11.672 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.687 3.316 10.801 1.00 0.58 H new ATOM 1245 N ASP B 31 158.767 4.472 10.059 1.00 0.41 N ATOM 1246 CA ASP B 31 160.217 4.334 10.195 1.00 0.55 C ATOM 1247 C ASP B 31 160.857 5.683 10.518 1.00 0.57 C ATOM 1248 O ASP B 31 161.609 5.807 11.486 1.00 0.76 O ATOM 1249 CB ASP B 31 160.822 3.761 8.909 1.00 0.69 C ATOM 1250 CG ASP B 31 161.821 2.654 9.183 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.991 2.971 9.486 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.434 1.470 9.095 1.00 1.74 O ATOM 0 H ASP B 31 158.414 4.291 9.119 1.00 0.41 H new ATOM 0 HA ASP B 31 160.419 3.646 11.016 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.023 3.377 8.275 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.313 4.560 8.354 1.00 0.69 H new ATOM 1257 N TYR B 32 160.544 6.691 9.700 1.00 0.49 N ATOM 1258 CA TYR B 32 161.076 8.040 9.896 1.00 0.56 C ATOM 1259 C TYR B 32 160.602 8.623 11.228 1.00 0.56 C ATOM 1260 O TYR B 32 161.349 9.330 11.906 1.00 0.67 O ATOM 1261 CB TYR B 32 160.653 8.957 8.744 1.00 0.60 C ATOM 1262 CG TYR B 32 161.689 9.075 7.647 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.979 9.513 7.926 1.00 1.15 C ATOM 1264 CD2 TYR B 32 161.377 8.751 6.332 1.00 0.96 C ATOM 1265 CE1 TYR B 32 163.927 9.623 6.927 1.00 1.37 C ATOM 1266 CE2 TYR B 32 162.320 8.859 5.328 1.00 1.17 C ATOM 1267 CZ TYR B 32 163.593 9.295 5.630 1.00 1.21 C ATOM 1268 OH TYR B 32 164.534 9.404 4.632 1.00 1.53 O ATOM 0 H TYR B 32 159.924 6.597 8.895 1.00 0.49 H new ATOM 0 HA TYR B 32 162.164 7.974 9.913 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.724 8.581 8.315 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.442 9.950 9.141 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.244 9.771 8.941 1.00 1.15 H new ATOM 0 HD2 TYR B 32 160.381 8.409 6.091 1.00 0.96 H new ATOM 0 HE1 TYR B 32 164.925 9.964 7.161 1.00 1.37 H new ATOM 0 HE2 TYR B 32 162.061 8.603 4.311 1.00 1.17 H new ATOM 0 HH TYR B 32 164.137 9.134 3.778 1.00 1.53 H new ATOM 1278 N ILE B 33 159.356 8.318 11.598 1.00 0.54 N ATOM 1279 CA ILE B 33 158.780 8.806 12.849 1.00 0.64 C ATOM 1280 C ILE B 33 159.428 8.135 14.066 1.00 0.58 C ATOM 1281 O ILE B 33 159.479 8.727 15.147 1.00 0.78 O ATOM 1282 CB ILE B 33 157.249 8.577 12.887 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.543 9.551 11.938 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.706 8.730 14.304 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.127 9.142 11.588 1.00 0.87 C ATOM 0 H ILE B 33 158.727 7.734 11.047 1.00 0.54 H new ATOM 0 HA ILE B 33 158.980 9.877 12.893 1.00 0.64 H new ATOM 0 HB ILE B 33 157.051 7.557 12.558 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.523 10.540 12.396 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.125 9.636 11.020 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.629 8.564 14.301 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.184 8.000 14.958 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.917 9.736 14.668 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.692 9.879 10.913 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.140 8.167 11.101 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.529 9.085 12.498 1.00 0.87 H new ATOM 1297 N ASP B 34 159.921 6.902 13.894 1.00 0.46 N ATOM 1298 CA ASP B 34 160.557 6.168 14.990 1.00 0.50 C ATOM 1299 C ASP B 34 161.808 6.880 15.503 1.00 0.40 C ATOM 1300 O ASP B 34 162.128 6.779 16.680 1.00 0.45 O ATOM 1301 CB ASP B 34 160.912 4.746 14.546 1.00 0.69 C ATOM 1302 CG ASP B 34 160.076 3.696 15.253 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.260 3.515 16.476 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.236 3.057 14.583 1.00 1.46 O ATOM 0 H ASP B 34 159.891 6.395 13.009 1.00 0.46 H new ATOM 0 HA ASP B 34 159.839 6.123 15.809 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.768 4.657 13.469 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.968 4.559 14.743 1.00 0.69 H new ATOM 1309 N ASN B 35 162.517 7.580 14.613 1.00 0.52 N ATOM 1310 CA ASN B 35 163.744 8.301 14.976 1.00 0.58 C ATOM 1311 C ASN B 35 163.619 8.973 16.345 1.00 0.49 C ATOM 1312 O ASN B 35 164.545 8.914 17.156 1.00 0.61 O ATOM 1313 CB ASN B 35 164.081 9.346 13.908 1.00 0.78 C ATOM 1314 CG ASN B 35 164.744 8.733 12.688 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.751 8.032 12.802 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.184 8.992 11.510 1.00 1.31 N ATOM 0 H ASN B 35 162.261 7.664 13.629 1.00 0.52 H new ATOM 0 HA ASN B 35 164.551 7.571 15.034 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.168 9.858 13.603 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.741 10.100 14.337 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.588 8.605 10.657 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.350 9.577 11.459 1.00 1.31 H new ATOM 1323 N LEU B 36 162.464 9.593 16.604 1.00 0.44 N ATOM 1324 CA LEU B 36 162.216 10.252 17.887 1.00 0.51 C ATOM 1325 C LEU B 36 162.274 9.230 19.022 1.00 0.47 C ATOM 1326 O LEU B 36 162.956 9.439 20.026 1.00 0.59 O ATOM 1327 CB LEU B 36 160.851 10.953 17.883 1.00 0.71 C ATOM 1328 CG LEU B 36 160.549 11.799 16.641 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.104 12.274 16.658 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.503 12.982 16.554 1.00 1.64 C ATOM 0 H LEU B 36 161.689 9.652 15.944 1.00 0.44 H new ATOM 0 HA LEU B 36 162.990 11.003 18.042 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.073 10.196 17.984 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.788 11.594 18.762 1.00 0.71 H new ATOM 0 HG LEU B 36 160.695 11.178 15.757 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.907 12.873 15.769 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.438 11.412 16.669 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.930 12.878 17.548 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.273 13.570 15.666 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.392 13.605 17.441 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.529 12.618 16.493 1.00 1.64 H new ATOM 1342 N LEU B 37 161.563 8.117 18.837 1.00 0.41 N ATOM 1343 CA LEU B 37 161.530 7.038 19.820 1.00 0.48 C ATOM 1344 C LEU B 37 162.154 5.763 19.236 1.00 0.41 C ATOM 1345 O LEU B 37 161.488 4.732 19.125 1.00 0.54 O ATOM 1346 CB LEU B 37 160.084 6.766 20.263 1.00 0.65 C ATOM 1347 CG LEU B 37 159.096 6.470 19.127 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.111 5.387 19.542 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.357 7.736 18.713 1.00 0.69 C ATOM 0 H LEU B 37 160.998 7.940 18.006 1.00 0.41 H new ATOM 0 HA LEU B 37 162.112 7.343 20.690 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.085 5.921 20.951 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.723 7.630 20.820 1.00 0.65 H new ATOM 0 HG LEU B 37 159.662 6.108 18.268 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.419 5.191 18.723 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.655 4.474 19.783 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.553 5.719 20.417 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.662 7.504 17.906 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.805 8.130 19.566 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.075 8.481 18.370 1.00 0.69 H new ATOM 1361 N VAL B 38 163.435 5.840 18.852 1.00 0.36 N ATOM 1362 CA VAL B 38 164.130 4.694 18.259 1.00 0.49 C ATOM 1363 C VAL B 38 163.890 3.440 19.093 1.00 0.67 C ATOM 1364 O VAL B 38 164.353 3.342 20.228 1.00 1.35 O ATOM 1365 CB VAL B 38 165.652 4.949 18.131 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.362 3.738 17.537 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.918 6.189 17.287 1.00 0.89 C ATOM 0 H VAL B 38 164.007 6.680 18.941 1.00 0.36 H new ATOM 0 HA VAL B 38 163.725 4.551 17.257 1.00 0.49 H new ATOM 0 HB VAL B 38 166.050 5.118 19.132 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.429 3.944 17.458 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.206 2.873 18.181 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.959 3.530 16.546 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.993 6.352 17.208 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.499 6.048 16.291 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.453 7.056 17.757 1.00 0.89 H new ATOM 1377 N ARG B 39 163.069 2.540 18.532 1.00 0.54 N ATOM 1378 CA ARG B 39 162.634 1.314 19.222 1.00 0.62 C ATOM 1379 C ARG B 39 163.791 0.576 19.899 1.00 0.51 C ATOM 1380 O ARG B 39 164.388 -0.347 19.340 1.00 0.63 O ATOM 1381 CB ARG B 39 161.876 0.341 18.278 1.00 0.93 C ATOM 1382 CG ARG B 39 161.927 0.673 16.785 1.00 1.15 C ATOM 1383 CD ARG B 39 163.169 0.100 16.116 1.00 1.41 C ATOM 1384 NE ARG B 39 163.006 -1.322 15.799 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.913 -2.269 16.066 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.077 -1.959 16.633 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.655 -3.537 15.756 1.00 2.18 N ATOM 0 H ARG B 39 162.688 2.640 17.591 1.00 0.54 H new ATOM 0 HA ARG B 39 161.945 1.651 19.997 1.00 0.62 H new ATOM 0 HB2 ARG B 39 162.282 -0.661 18.421 1.00 0.93 H new ATOM 0 HB3 ARG B 39 160.831 0.308 18.586 1.00 0.93 H new ATOM 0 HG2 ARG B 39 161.037 0.279 16.295 1.00 1.15 H new ATOM 0 HG3 ARG B 39 161.911 1.755 16.653 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.379 0.655 15.202 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.029 0.230 16.773 1.00 1.41 H new ATOM 0 HE ARG B 39 162.140 -1.610 15.343 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.287 -0.989 16.870 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.759 -2.691 16.831 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.768 -3.784 15.316 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.344 -4.262 15.958 1.00 2.18 H new ATOM 1401 N VAL B 40 164.064 1.003 21.136 1.00 0.43 N ATOM 1402 CA VAL B 40 165.109 0.424 21.979 1.00 0.56 C ATOM 1403 C VAL B 40 164.605 0.352 23.429 1.00 0.71 C ATOM 1404 O VAL B 40 165.182 0.955 24.338 1.00 1.15 O ATOM 1405 CB VAL B 40 166.416 1.255 21.918 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.494 0.655 22.817 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.917 1.366 20.483 1.00 0.65 C ATOM 0 H VAL B 40 163.559 1.768 21.583 1.00 0.43 H new ATOM 0 HA VAL B 40 165.334 -0.576 21.609 1.00 0.56 H new ATOM 0 HB VAL B 40 166.192 2.257 22.285 1.00 0.60 H new ATOM 0 HG11 VAL B 40 168.399 1.259 22.753 1.00 1.04 H new ATOM 0 HG12 VAL B 40 167.140 0.639 23.848 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.714 -0.362 22.493 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.835 1.953 20.463 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.115 0.369 20.089 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.160 1.855 19.870 1.00 0.65 H new ATOM 1417 N MET B 41 163.504 -0.381 23.627 1.00 0.60 N ATOM 1418 CA MET B 41 162.891 -0.528 24.951 1.00 0.74 C ATOM 1419 C MET B 41 163.056 -1.954 25.478 1.00 0.91 C ATOM 1420 O MET B 41 162.694 -2.904 24.748 1.00 0.91 O ATOM 1421 CB MET B 41 161.394 -0.161 24.910 1.00 0.73 C ATOM 1422 CG MET B 41 160.945 0.550 23.636 1.00 0.74 C ATOM 1423 SD MET B 41 160.365 -0.589 22.362 1.00 0.86 S ATOM 1424 CE MET B 41 159.668 0.556 21.172 1.00 0.70 C ATOM 1425 OXT MET B 41 163.541 -2.110 26.618 1.00 1.13 O ATOM 0 H MET B 41 163.018 -0.883 22.884 1.00 0.60 H new ATOM 0 HA MET B 41 163.404 0.157 25.626 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.807 -1.072 25.027 1.00 0.73 H new ATOM 0 HB3 MET B 41 161.167 0.476 25.765 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.147 1.251 23.880 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.775 1.136 23.241 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.644 0.088 20.188 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.654 0.821 21.473 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.281 1.456 21.131 1.00 0.70 H new