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= -0.0547 X(o=-0.055,f=-0.14) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.014) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.0859 X(o=0.086,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= -0.0767 X(o=-0.077,f=-0.18) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= -0.0465 X(o=-0.046,f=-0.017) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.0839 X(o=0.084,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.850 -18.669 -19.147 1.00 0.77 N ATOM 2 CA GLY A 1 130.532 -18.208 -18.625 1.00 0.81 C ATOM 3 C GLY A 1 130.620 -16.873 -17.911 1.00 0.65 C ATOM 4 O GLY A 1 130.261 -15.837 -18.474 1.00 0.70 O ATOM 0 H1 GLY A 1 131.733 -19.585 -19.625 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.219 -17.970 -19.823 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.519 -18.774 -18.357 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.826 -18.127 -19.452 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.135 -18.957 -17.939 1.00 0.81 H new ATOM 10 N SER A 2 131.100 -16.898 -16.668 1.00 0.55 N ATOM 11 CA SER A 2 131.238 -15.681 -15.869 1.00 0.48 C ATOM 12 C SER A 2 132.660 -15.125 -15.921 1.00 0.47 C ATOM 13 O SER A 2 132.873 -13.966 -15.585 1.00 0.71 O ATOM 14 CB SER A 2 130.833 -15.948 -14.417 1.00 0.54 C ATOM 15 OG SER A 2 129.432 -15.812 -14.244 1.00 0.67 O ATOM 0 H SER A 2 131.400 -17.749 -16.192 1.00 0.55 H new ATOM 0 HA SER A 2 130.572 -14.932 -16.298 1.00 0.48 H new ATOM 0 HB2 SER A 2 131.142 -16.953 -14.129 1.00 0.54 H new ATOM 0 HB3 SER A 2 131.353 -15.253 -13.758 1.00 0.54 H new ATOM 0 HG SER A 2 129.199 -15.989 -13.309 1.00 0.67 H new ATOM 21 N LEU A 3 133.630 -15.938 -16.353 1.00 0.38 N ATOM 22 CA LEU A 3 135.018 -15.480 -16.451 1.00 0.43 C ATOM 23 C LEU A 3 135.141 -14.445 -17.573 1.00 0.53 C ATOM 24 O LEU A 3 135.694 -14.729 -18.637 1.00 0.88 O ATOM 25 CB LEU A 3 135.964 -16.663 -16.706 1.00 0.48 C ATOM 26 CG LEU A 3 135.697 -17.918 -15.865 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.483 -19.102 -16.408 1.00 1.05 C ATOM 28 CD2 LEU A 3 136.046 -17.669 -14.404 1.00 1.42 C ATOM 0 H LEU A 3 133.481 -16.906 -16.637 1.00 0.38 H new ATOM 0 HA LEU A 3 135.304 -15.018 -15.506 1.00 0.43 H new ATOM 0 HB2 LEU A 3 135.902 -16.934 -17.760 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.987 -16.334 -16.521 1.00 0.48 H new ATOM 0 HG LEU A 3 134.634 -18.153 -15.928 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.281 -19.983 -15.799 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.183 -19.296 -17.438 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.549 -18.876 -16.377 1.00 1.05 H new ATOM 0 HD21 LEU A 3 135.850 -18.571 -13.824 1.00 1.42 H new ATOM 0 HD22 LEU A 3 137.101 -17.407 -14.321 1.00 1.42 H new ATOM 0 HD23 LEU A 3 135.438 -16.851 -14.019 1.00 1.42 H new ATOM 40 N THR A 4 134.597 -13.249 -17.324 1.00 0.41 N ATOM 41 CA THR A 4 134.600 -12.157 -18.297 1.00 0.49 C ATOM 42 C THR A 4 134.307 -10.817 -17.595 1.00 0.39 C ATOM 43 O THR A 4 134.472 -10.696 -16.379 1.00 0.39 O ATOM 44 CB THR A 4 133.548 -12.430 -19.390 1.00 0.65 C ATOM 45 OG1 THR A 4 132.298 -12.770 -18.812 1.00 0.64 O ATOM 46 CG2 THR A 4 133.928 -13.547 -20.341 1.00 0.80 C ATOM 0 H THR A 4 134.143 -13.013 -16.442 1.00 0.41 H new ATOM 0 HA THR A 4 135.585 -12.096 -18.761 1.00 0.49 H new ATOM 0 HB THR A 4 133.488 -11.502 -19.958 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.644 -12.938 -19.522 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.139 -13.679 -21.081 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.860 -13.293 -20.846 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.059 -14.473 -19.781 1.00 0.80 H new ATOM 54 N TYR A 5 133.863 -9.822 -18.370 1.00 0.48 N ATOM 55 CA TYR A 5 133.531 -8.492 -17.843 1.00 0.46 C ATOM 56 C TYR A 5 132.395 -8.584 -16.822 1.00 0.42 C ATOM 57 O TYR A 5 132.577 -8.251 -15.655 1.00 0.47 O ATOM 58 CB TYR A 5 133.139 -7.563 -19.001 1.00 0.59 C ATOM 59 CG TYR A 5 132.535 -6.241 -18.573 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.318 -5.242 -18.008 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.178 -5.992 -18.742 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.768 -4.034 -17.625 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.620 -4.788 -18.361 1.00 0.90 C ATOM 64 CZ TYR A 5 131.419 -3.812 -17.803 1.00 0.65 C ATOM 65 OH TYR A 5 130.866 -2.610 -17.424 1.00 0.79 O ATOM 0 H TYR A 5 133.724 -9.914 -19.376 1.00 0.48 H new ATOM 0 HA TYR A 5 134.406 -8.083 -17.338 1.00 0.46 H new ATOM 0 HB2 TYR A 5 134.024 -7.364 -19.605 1.00 0.59 H new ATOM 0 HB3 TYR A 5 132.426 -8.083 -19.641 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.375 -5.413 -17.866 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.549 -6.754 -19.179 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.391 -3.268 -17.189 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.564 -4.611 -18.499 1.00 0.90 H new ATOM 0 HH TYR A 5 129.906 -2.616 -17.619 1.00 0.79 H new ATOM 75 N GLU A 6 131.217 -8.998 -17.303 1.00 0.48 N ATOM 76 CA GLU A 6 130.006 -9.123 -16.480 1.00 0.50 C ATOM 77 C GLU A 6 130.305 -9.602 -15.051 1.00 0.38 C ATOM 78 O GLU A 6 129.560 -9.281 -14.123 1.00 0.47 O ATOM 79 CB GLU A 6 129.009 -10.076 -17.146 1.00 0.60 C ATOM 80 CG GLU A 6 127.613 -9.489 -17.289 1.00 0.65 C ATOM 81 CD GLU A 6 126.528 -10.441 -16.826 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.232 -10.459 -15.612 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.973 -11.169 -17.676 1.00 1.16 O ATOM 0 H GLU A 6 131.075 -9.257 -18.279 1.00 0.48 H new ATOM 0 HA GLU A 6 129.574 -8.125 -16.404 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.383 -10.349 -18.133 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.950 -10.994 -16.562 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.551 -8.566 -16.713 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.439 -9.226 -18.332 1.00 0.65 H new ATOM 90 N GLU A 7 131.396 -10.355 -14.871 1.00 0.30 N ATOM 91 CA GLU A 7 131.773 -10.846 -13.550 1.00 0.29 C ATOM 92 C GLU A 7 132.681 -9.849 -12.824 1.00 0.28 C ATOM 93 O GLU A 7 132.479 -9.569 -11.640 1.00 0.46 O ATOM 94 CB GLU A 7 132.467 -12.203 -13.660 1.00 0.40 C ATOM 95 CG GLU A 7 133.128 -12.671 -12.370 1.00 0.56 C ATOM 96 CD GLU A 7 134.634 -12.486 -12.387 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.321 -13.265 -13.082 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.126 -11.561 -11.707 1.00 0.81 O ATOM 0 H GLU A 7 132.027 -10.634 -15.622 1.00 0.30 H new ATOM 0 HA GLU A 7 130.859 -10.961 -12.967 1.00 0.29 H new ATOM 0 HB2 GLU A 7 131.736 -12.949 -13.972 1.00 0.40 H new ATOM 0 HB3 GLU A 7 133.222 -12.150 -14.444 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.707 -12.119 -11.529 1.00 0.56 H new ATOM 0 HG3 GLU A 7 132.897 -13.724 -12.208 1.00 0.56 H new ATOM 105 N VAL A 8 133.680 -9.314 -13.538 1.00 0.34 N ATOM 106 CA VAL A 8 134.614 -8.347 -12.959 1.00 0.36 C ATOM 107 C VAL A 8 133.885 -7.114 -12.413 1.00 0.28 C ATOM 108 O VAL A 8 134.356 -6.479 -11.469 1.00 0.39 O ATOM 109 CB VAL A 8 135.692 -7.907 -13.983 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.191 -6.773 -14.871 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.974 -7.505 -13.266 1.00 0.77 C ATOM 0 H VAL A 8 133.860 -9.536 -14.517 1.00 0.34 H new ATOM 0 HA VAL A 8 135.109 -8.853 -12.130 1.00 0.36 H new ATOM 0 HB VAL A 8 135.906 -8.759 -14.629 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.973 -6.491 -15.576 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.309 -7.103 -15.420 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.933 -5.914 -14.252 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.720 -7.199 -13.999 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.768 -6.675 -12.590 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.353 -8.353 -12.695 1.00 0.77 H new ATOM 121 N LEU A 9 132.737 -6.778 -13.015 1.00 0.36 N ATOM 122 CA LEU A 9 131.947 -5.623 -12.584 1.00 0.49 C ATOM 123 C LEU A 9 131.668 -5.683 -11.082 1.00 0.53 C ATOM 124 O LEU A 9 131.880 -4.702 -10.367 1.00 0.73 O ATOM 125 CB LEU A 9 130.627 -5.555 -13.360 1.00 0.66 C ATOM 126 CG LEU A 9 130.498 -4.371 -14.322 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.213 -4.477 -15.131 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.544 -3.053 -13.559 1.00 0.72 C ATOM 0 H LEU A 9 132.337 -7.290 -13.801 1.00 0.36 H new ATOM 0 HA LEU A 9 132.526 -4.723 -12.793 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.509 -6.478 -13.927 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.805 -5.513 -12.645 1.00 0.66 H new ATOM 0 HG LEU A 9 131.341 -4.396 -15.012 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.139 -3.627 -15.809 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.222 -5.402 -15.708 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.357 -4.479 -14.456 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.451 -2.223 -14.260 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.722 -3.018 -12.844 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.492 -2.974 -13.027 1.00 0.72 H new ATOM 140 N GLN A 10 131.194 -6.841 -10.608 1.00 0.42 N ATOM 141 CA GLN A 10 130.889 -7.033 -9.187 1.00 0.49 C ATOM 142 C GLN A 10 132.142 -6.898 -8.314 1.00 0.43 C ATOM 143 O GLN A 10 132.039 -6.617 -7.119 1.00 0.50 O ATOM 144 CB GLN A 10 130.247 -8.405 -8.965 1.00 0.60 C ATOM 145 CG GLN A 10 128.749 -8.428 -9.232 1.00 0.69 C ATOM 146 CD GLN A 10 127.928 -8.426 -7.956 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.995 -7.485 -7.164 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.147 -9.481 -7.748 1.00 0.84 N ATOM 0 H GLN A 10 131.013 -7.660 -11.189 1.00 0.42 H new ATOM 0 HA GLN A 10 130.189 -6.251 -8.893 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.734 -9.134 -9.613 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.429 -8.720 -7.938 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.478 -7.561 -9.835 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.502 -9.314 -9.817 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.121 -10.239 -8.430 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.573 -9.533 -6.906 1.00 0.84 H new ATOM 157 N GLU A 11 133.321 -7.074 -8.918 1.00 0.41 N ATOM 158 CA GLU A 11 134.585 -6.945 -8.196 1.00 0.44 C ATOM 159 C GLU A 11 134.954 -5.469 -8.038 1.00 0.40 C ATOM 160 O GLU A 11 135.553 -5.074 -7.037 1.00 0.56 O ATOM 161 CB GLU A 11 135.704 -7.689 -8.932 1.00 0.52 C ATOM 162 CG GLU A 11 136.006 -9.062 -8.356 1.00 0.63 C ATOM 163 CD GLU A 11 137.309 -9.637 -8.877 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.362 -9.384 -8.253 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.278 -10.338 -9.910 1.00 1.64 O ATOM 0 H GLU A 11 133.424 -7.306 -9.906 1.00 0.41 H new ATOM 0 HA GLU A 11 134.464 -7.389 -7.208 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.427 -7.798 -9.981 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.611 -7.085 -8.902 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.051 -8.994 -7.269 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.190 -9.742 -8.599 1.00 0.63 H new ATOM 172 N LEU A 12 134.571 -4.658 -9.032 1.00 0.34 N ATOM 173 CA LEU A 12 134.839 -3.222 -9.005 1.00 0.34 C ATOM 174 C LEU A 12 134.075 -2.572 -7.855 1.00 0.31 C ATOM 175 O LEU A 12 134.676 -1.951 -6.977 1.00 0.39 O ATOM 176 CB LEU A 12 134.446 -2.574 -10.341 1.00 0.36 C ATOM 177 CG LEU A 12 135.183 -1.273 -10.687 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.826 -0.169 -9.701 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.689 -1.499 -10.718 1.00 0.59 C ATOM 0 H LEU A 12 134.074 -4.976 -9.864 1.00 0.34 H new ATOM 0 HA LEU A 12 135.907 -3.069 -8.852 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.622 -3.294 -11.140 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.375 -2.371 -10.325 1.00 0.36 H new ATOM 0 HG LEU A 12 134.864 -0.957 -11.680 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.361 0.743 -9.967 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.752 0.016 -9.735 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.109 -0.475 -8.694 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.192 -0.564 -10.965 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.025 -1.845 -9.740 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.929 -2.250 -11.471 1.00 0.59 H new ATOM 191 N VAL A 13 132.746 -2.721 -7.868 1.00 0.26 N ATOM 192 CA VAL A 13 131.903 -2.151 -6.819 1.00 0.26 C ATOM 193 C VAL A 13 132.399 -2.582 -5.436 1.00 0.22 C ATOM 194 O VAL A 13 132.691 -1.732 -4.593 1.00 0.24 O ATOM 195 CB VAL A 13 130.407 -2.525 -6.998 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.212 -4.031 -7.120 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.571 -1.963 -5.854 1.00 0.53 C ATOM 0 H VAL A 13 132.236 -3.229 -8.590 1.00 0.26 H new ATOM 0 HA VAL A 13 131.978 -1.067 -6.902 1.00 0.26 H new ATOM 0 HB VAL A 13 130.066 -2.075 -7.931 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.152 -4.252 -7.244 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.763 -4.400 -7.985 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.582 -4.520 -6.219 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.526 -2.236 -5.999 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.926 -2.373 -4.908 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.663 -0.877 -5.836 1.00 0.53 H new ATOM 207 N LYS A 14 132.487 -3.902 -5.205 1.00 0.24 N ATOM 208 CA LYS A 14 132.945 -4.447 -3.922 1.00 0.23 C ATOM 209 C LYS A 14 134.130 -3.664 -3.359 1.00 0.21 C ATOM 210 O LYS A 14 134.165 -3.367 -2.165 1.00 0.28 O ATOM 211 CB LYS A 14 133.333 -5.921 -4.082 1.00 0.30 C ATOM 212 CG LYS A 14 132.704 -6.834 -3.042 1.00 0.84 C ATOM 213 CD LYS A 14 132.756 -8.290 -3.476 1.00 0.68 C ATOM 214 CE LYS A 14 132.808 -9.229 -2.280 1.00 0.73 C ATOM 215 NZ LYS A 14 132.906 -10.656 -2.695 1.00 0.75 N ATOM 0 H LYS A 14 132.245 -4.613 -5.896 1.00 0.24 H new ATOM 0 HA LYS A 14 132.118 -4.357 -3.218 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.039 -6.259 -5.075 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.418 -6.011 -4.023 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.224 -6.718 -2.091 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.668 -6.539 -2.876 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.881 -8.521 -4.083 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.631 -8.452 -4.105 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.664 -8.973 -1.655 1.00 0.73 H new ATOM 0 HE3 LYS A 14 131.915 -9.089 -1.670 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.939 -11.262 -1.850 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.077 -10.908 -3.270 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.771 -10.796 -3.255 1.00 0.75 H new ATOM 229 N HIS A 15 135.092 -3.321 -4.222 1.00 0.25 N ATOM 230 CA HIS A 15 136.264 -2.558 -3.795 1.00 0.27 C ATOM 231 C HIS A 15 135.830 -1.231 -3.178 1.00 0.23 C ATOM 232 O HIS A 15 136.014 -1.009 -1.981 1.00 0.43 O ATOM 233 CB HIS A 15 137.209 -2.304 -4.977 1.00 0.33 C ATOM 234 CG HIS A 15 138.130 -3.447 -5.275 1.00 0.46 C ATOM 235 ND1 HIS A 15 138.929 -4.043 -4.321 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.383 -4.101 -6.435 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.632 -5.012 -4.881 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.318 -5.067 -6.162 1.00 0.72 N ATOM 0 H HIS A 15 135.081 -3.559 -5.214 1.00 0.25 H new ATOM 0 HA HIS A 15 136.799 -3.142 -3.046 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.614 -2.088 -5.865 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.805 -1.415 -4.769 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.932 -3.899 -7.395 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.342 -5.650 -4.376 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.708 -5.722 -6.840 1.00 0.72 H new ATOM 247 N LYS A 16 135.273 -0.346 -4.011 1.00 0.21 N ATOM 248 CA LYS A 16 134.821 0.976 -3.572 1.00 0.25 C ATOM 249 C LYS A 16 134.032 0.931 -2.262 1.00 0.32 C ATOM 250 O LYS A 16 134.261 1.760 -1.380 1.00 0.62 O ATOM 251 CB LYS A 16 133.968 1.628 -4.663 1.00 0.37 C ATOM 252 CG LYS A 16 134.784 2.349 -5.724 1.00 0.50 C ATOM 253 CD LYS A 16 134.168 2.192 -7.105 1.00 0.57 C ATOM 254 CE LYS A 16 133.261 3.364 -7.451 1.00 0.59 C ATOM 255 NZ LYS A 16 131.926 3.251 -6.798 1.00 0.66 N ATOM 0 H LYS A 16 135.124 -0.526 -5.004 1.00 0.21 H new ATOM 0 HA LYS A 16 135.717 1.569 -3.389 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.359 0.862 -5.143 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.281 2.337 -4.201 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.853 3.408 -5.474 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.801 1.956 -5.731 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.960 2.112 -7.850 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.597 1.265 -7.146 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.738 4.294 -7.142 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.132 3.415 -8.532 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.341 4.070 -7.061 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.459 2.376 -7.112 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 132.046 3.228 -5.765 1.00 0.66 H new ATOM 269 N GLU A 17 133.102 -0.021 -2.126 1.00 0.32 N ATOM 270 CA GLU A 17 132.296 -0.132 -0.908 1.00 0.39 C ATOM 271 C GLU A 17 133.131 -0.641 0.268 1.00 0.32 C ATOM 272 O GLU A 17 132.960 -0.182 1.399 1.00 0.40 O ATOM 273 CB GLU A 17 131.102 -1.062 -1.146 1.00 0.51 C ATOM 274 CG GLU A 17 130.081 -1.053 -0.017 1.00 0.80 C ATOM 275 CD GLU A 17 130.122 -2.320 0.817 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.907 -2.368 1.788 1.00 1.47 O ATOM 277 OE2 GLU A 17 129.369 -3.265 0.499 1.00 1.43 O ATOM 0 H GLU A 17 132.891 -0.720 -2.839 1.00 0.32 H new ATOM 0 HA GLU A 17 131.931 0.864 -0.657 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.607 -0.772 -2.073 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.468 -2.079 -1.284 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.264 -0.193 0.627 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.082 -0.931 -0.436 1.00 0.80 H new ATOM 284 N LEU A 18 134.044 -1.575 -0.006 1.00 0.32 N ATOM 285 CA LEU A 18 134.916 -2.122 1.032 1.00 0.34 C ATOM 286 C LEU A 18 135.810 -1.020 1.592 1.00 0.33 C ATOM 287 O LEU A 18 136.041 -0.949 2.801 1.00 0.66 O ATOM 288 CB LEU A 18 135.770 -3.266 0.479 1.00 0.53 C ATOM 289 CG LEU A 18 135.141 -4.656 0.598 1.00 0.67 C ATOM 290 CD1 LEU A 18 135.836 -5.638 -0.334 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.201 -5.146 2.039 1.00 0.79 C ATOM 0 H LEU A 18 134.198 -1.967 -0.935 1.00 0.32 H new ATOM 0 HA LEU A 18 134.293 -2.520 1.833 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.981 -3.067 -0.572 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.727 -3.270 1.001 1.00 0.53 H new ATOM 0 HG LEU A 18 134.094 -4.588 0.303 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.375 -6.621 -0.236 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.739 -5.293 -1.363 1.00 0.86 H new ATOM 0 HD13 LEU A 18 136.892 -5.704 -0.071 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.749 -6.136 2.106 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.241 -5.199 2.362 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.656 -4.454 2.681 1.00 0.79 H new ATOM 303 N LEU A 19 136.289 -0.148 0.701 1.00 0.43 N ATOM 304 CA LEU A 19 137.134 0.974 1.095 1.00 0.44 C ATOM 305 C LEU A 19 136.336 1.957 1.949 1.00 0.30 C ATOM 306 O LEU A 19 136.875 2.572 2.870 1.00 0.45 O ATOM 307 CB LEU A 19 137.694 1.682 -0.144 1.00 0.57 C ATOM 308 CG LEU A 19 139.218 1.808 -0.184 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.720 1.790 -1.620 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.665 3.079 0.526 1.00 0.94 C ATOM 0 H LEU A 19 136.103 -0.201 -0.301 1.00 0.43 H new ATOM 0 HA LEU A 19 137.969 0.593 1.683 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.366 1.142 -1.032 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.260 2.680 -0.200 1.00 0.57 H new ATOM 0 HG LEU A 19 139.648 0.953 0.337 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.806 1.881 -1.627 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.431 0.852 -2.095 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.283 2.624 -2.169 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.752 3.154 0.489 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.225 3.945 0.033 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.339 3.049 1.566 1.00 0.94 H new ATOM 322 N ARG A 20 135.040 2.087 1.641 1.00 0.32 N ATOM 323 CA ARG A 20 134.158 2.978 2.386 1.00 0.50 C ATOM 324 C ARG A 20 134.043 2.512 3.831 1.00 0.40 C ATOM 325 O ARG A 20 134.389 3.262 4.744 1.00 0.47 O ATOM 326 CB ARG A 20 132.775 3.045 1.728 1.00 0.78 C ATOM 327 CG ARG A 20 132.717 3.996 0.544 1.00 0.89 C ATOM 328 CD ARG A 20 131.291 4.205 0.061 1.00 0.98 C ATOM 329 NE ARG A 20 131.191 5.313 -0.890 1.00 1.06 N ATOM 330 CZ ARG A 20 130.036 5.814 -1.338 1.00 1.17 C ATOM 331 NH1 ARG A 20 128.876 5.306 -0.931 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.043 6.827 -2.198 1.00 1.60 N ATOM 0 H ARG A 20 134.584 1.584 0.880 1.00 0.32 H new ATOM 0 HA ARG A 20 134.586 3.980 2.376 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.489 2.047 1.397 1.00 0.78 H new ATOM 0 HB3 ARG A 20 132.041 3.357 2.472 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.150 4.956 0.826 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.323 3.600 -0.271 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.930 3.290 -0.409 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.644 4.401 0.916 1.00 0.98 H new ATOM 0 HE ARG A 20 132.057 5.729 -1.232 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.863 4.528 -0.272 1.00 1.74 H new ATOM 0 HH12 ARG A 20 127.999 5.695 -1.278 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.929 7.221 -2.515 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.162 7.211 -2.541 1.00 1.60 H new ATOM 346 N ARG A 21 133.554 1.280 4.046 1.00 0.36 N ATOM 347 CA ARG A 21 133.400 0.728 5.395 1.00 0.37 C ATOM 348 C ARG A 21 134.603 1.047 6.279 1.00 0.35 C ATOM 349 O ARG A 21 134.432 1.452 7.426 1.00 0.49 O ATOM 350 CB ARG A 21 133.199 -0.790 5.326 1.00 0.47 C ATOM 351 CG ARG A 21 131.849 -1.252 5.850 1.00 0.71 C ATOM 352 CD ARG A 21 131.708 -2.764 5.768 1.00 0.94 C ATOM 353 NE ARG A 21 130.464 -3.235 6.376 1.00 0.95 N ATOM 354 CZ ARG A 21 130.304 -3.460 7.685 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.302 -3.239 8.538 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.137 -3.904 8.142 1.00 1.50 N ATOM 0 H ARG A 21 133.259 0.650 3.300 1.00 0.36 H new ATOM 0 HA ARG A 21 132.521 1.195 5.840 1.00 0.37 H new ATOM 0 HB2 ARG A 21 133.308 -1.115 4.291 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.988 -1.278 5.898 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.729 -0.930 6.884 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.053 -0.779 5.275 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.741 -3.074 4.724 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.555 -3.234 6.267 1.00 0.94 H new ATOM 0 HE ARG A 21 129.667 -3.403 5.762 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.199 -2.895 8.195 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.170 -3.414 9.534 1.00 2.03 H new ATOM 0 HH21 ARG A 21 128.367 -4.072 7.495 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.012 -4.076 9.140 1.00 1.50 H new ATOM 370 N LYS A 22 135.815 0.868 5.739 1.00 0.33 N ATOM 371 CA LYS A 22 137.041 1.152 6.492 1.00 0.41 C ATOM 372 C LYS A 22 136.906 2.475 7.244 1.00 0.34 C ATOM 373 O LYS A 22 137.188 2.552 8.441 1.00 0.36 O ATOM 374 CB LYS A 22 138.250 1.196 5.553 1.00 0.56 C ATOM 375 CG LYS A 22 138.993 -0.127 5.459 1.00 0.77 C ATOM 376 CD LYS A 22 140.292 0.013 4.682 1.00 0.95 C ATOM 377 CE LYS A 22 141.309 0.856 5.437 1.00 0.76 C ATOM 378 NZ LYS A 22 142.699 0.356 5.247 1.00 0.71 N ATOM 0 H LYS A 22 135.972 0.530 4.789 1.00 0.33 H new ATOM 0 HA LYS A 22 137.195 0.352 7.216 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.916 1.488 4.557 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.939 1.967 5.897 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.207 -0.497 6.462 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.357 -0.868 4.975 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.709 -0.975 4.489 1.00 0.95 H new ATOM 0 HD3 LYS A 22 140.089 0.468 3.713 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.246 1.890 5.098 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.065 0.854 6.499 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.360 0.958 5.778 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.767 -0.622 5.594 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.942 0.382 4.236 1.00 0.71 H new ATOM 392 N ASP A 23 136.442 3.506 6.533 1.00 0.34 N ATOM 393 CA ASP A 23 136.228 4.824 7.122 1.00 0.32 C ATOM 394 C ASP A 23 135.081 4.753 8.132 1.00 0.29 C ATOM 395 O ASP A 23 135.265 5.036 9.314 1.00 0.34 O ATOM 396 CB ASP A 23 135.906 5.841 6.021 1.00 0.37 C ATOM 397 CG ASP A 23 137.086 6.092 5.102 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.896 6.991 5.409 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.199 5.387 4.077 1.00 1.17 O ATOM 0 H ASP A 23 136.207 3.449 5.542 1.00 0.34 H new ATOM 0 HA ASP A 23 137.134 5.143 7.637 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.062 5.481 5.433 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.598 6.782 6.478 1.00 0.37 H new ATOM 404 N THR A 24 133.898 4.372 7.643 1.00 0.27 N ATOM 405 CA THR A 24 132.702 4.248 8.482 1.00 0.28 C ATOM 406 C THR A 24 133.024 3.559 9.813 1.00 0.27 C ATOM 407 O THR A 24 132.541 3.977 10.866 1.00 0.32 O ATOM 408 CB THR A 24 131.614 3.465 7.734 1.00 0.31 C ATOM 409 OG1 THR A 24 131.022 4.265 6.725 1.00 0.52 O ATOM 410 CG2 THR A 24 130.500 2.960 8.632 1.00 0.53 C ATOM 0 H THR A 24 133.742 4.142 6.662 1.00 0.27 H new ATOM 0 HA THR A 24 132.338 5.252 8.701 1.00 0.28 H new ATOM 0 HB THR A 24 132.128 2.604 7.308 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.333 3.747 6.259 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.769 2.417 8.034 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.916 2.295 9.389 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.014 3.805 9.119 1.00 0.53 H new ATOM 418 N HIS A 25 133.836 2.499 9.756 1.00 0.27 N ATOM 419 CA HIS A 25 134.217 1.749 10.951 1.00 0.31 C ATOM 420 C HIS A 25 135.058 2.602 11.900 1.00 0.33 C ATOM 421 O HIS A 25 134.737 2.713 13.084 1.00 0.43 O ATOM 422 CB HIS A 25 134.987 0.482 10.566 1.00 0.37 C ATOM 423 CG HIS A 25 134.407 -0.766 11.156 1.00 0.38 C ATOM 424 ND1 HIS A 25 135.140 -1.653 11.915 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.150 -1.270 11.101 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.361 -2.647 12.302 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.149 -2.437 11.822 1.00 0.75 N ATOM 0 H HIS A 25 134.242 2.142 8.891 1.00 0.27 H new ATOM 0 HA HIS A 25 133.301 1.467 11.469 1.00 0.31 H new ATOM 0 HB2 HIS A 25 135.001 0.390 9.480 1.00 0.37 H new ATOM 0 HB3 HIS A 25 136.023 0.582 10.891 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.307 -0.834 10.586 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.664 -3.488 12.908 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.342 -3.045 11.964 1.00 0.75 H new ATOM 436 N ILE A 26 136.128 3.209 11.376 1.00 0.31 N ATOM 437 CA ILE A 26 137.002 4.059 12.191 1.00 0.35 C ATOM 438 C ILE A 26 136.261 5.299 12.709 1.00 0.34 C ATOM 439 O ILE A 26 136.709 5.939 13.660 1.00 0.46 O ATOM 440 CB ILE A 26 138.268 4.504 11.420 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.896 5.359 10.205 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.086 3.292 10.994 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.039 6.200 9.679 1.00 0.68 C ATOM 0 H ILE A 26 136.408 3.129 10.399 1.00 0.31 H new ATOM 0 HA ILE A 26 137.311 3.448 13.039 1.00 0.35 H new ATOM 0 HB ILE A 26 138.876 5.114 12.088 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.540 4.706 9.408 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.068 6.015 10.473 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.972 3.623 10.453 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.389 2.729 11.877 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.483 2.655 10.347 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.700 6.778 8.819 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.381 6.879 10.460 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.861 5.550 9.378 1.00 0.68 H new ATOM 455 N ARG A 27 135.115 5.618 12.094 1.00 0.29 N ATOM 456 CA ARG A 27 134.306 6.760 12.512 1.00 0.35 C ATOM 457 C ARG A 27 133.295 6.326 13.574 1.00 0.34 C ATOM 458 O ARG A 27 133.086 7.026 14.567 1.00 0.39 O ATOM 459 CB ARG A 27 133.584 7.374 11.309 1.00 0.44 C ATOM 460 CG ARG A 27 133.426 8.885 11.397 1.00 0.52 C ATOM 461 CD ARG A 27 132.111 9.276 12.057 1.00 0.81 C ATOM 462 NE ARG A 27 131.248 10.036 11.152 1.00 0.91 N ATOM 463 CZ ARG A 27 130.387 9.483 10.290 1.00 0.92 C ATOM 464 NH1 ARG A 27 130.258 8.160 10.214 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.650 10.259 9.503 1.00 1.68 N ATOM 0 H ARG A 27 134.731 5.098 11.305 1.00 0.29 H new ATOM 0 HA ARG A 27 134.964 7.516 12.941 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.135 7.127 10.401 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.598 6.919 11.217 1.00 0.44 H new ATOM 0 HG2 ARG A 27 134.257 9.305 11.964 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.473 9.315 10.396 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.589 8.377 12.386 1.00 0.81 H new ATOM 0 HD3 ARG A 27 132.315 9.870 12.948 1.00 0.81 H new ATOM 0 HE ARG A 27 131.307 11.054 11.180 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.819 7.557 10.817 1.00 1.19 H new ATOM 0 HH12 ARG A 27 129.599 7.749 9.553 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.741 11.273 9.557 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.993 9.840 8.845 1.00 1.68 H new ATOM 479 N GLU A 28 132.685 5.154 13.363 1.00 0.33 N ATOM 480 CA GLU A 28 131.714 4.602 14.306 1.00 0.38 C ATOM 481 C GLU A 28 132.411 4.253 15.620 1.00 0.37 C ATOM 482 O GLU A 28 131.981 4.683 16.691 1.00 0.47 O ATOM 483 CB GLU A 28 131.032 3.363 13.698 1.00 0.48 C ATOM 484 CG GLU A 28 130.575 2.325 14.716 1.00 0.81 C ATOM 485 CD GLU A 28 129.296 2.723 15.430 1.00 1.22 C ATOM 486 OE1 GLU A 28 129.384 3.394 16.480 1.00 1.85 O ATOM 487 OE2 GLU A 28 128.205 2.360 14.941 1.00 1.66 O ATOM 0 H GLU A 28 132.850 4.570 12.543 1.00 0.33 H new ATOM 0 HA GLU A 28 130.945 5.347 14.510 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.168 3.688 13.118 1.00 0.48 H new ATOM 0 HB3 GLU A 28 131.724 2.889 13.001 1.00 0.48 H new ATOM 0 HG2 GLU A 28 130.422 1.371 14.211 1.00 0.81 H new ATOM 0 HG3 GLU A 28 131.364 2.173 15.452 1.00 0.81 H new ATOM 494 N LEU A 29 133.502 3.485 15.527 1.00 0.34 N ATOM 495 CA LEU A 29 134.274 3.093 16.706 1.00 0.38 C ATOM 496 C LEU A 29 134.907 4.311 17.388 1.00 0.42 C ATOM 497 O LEU A 29 135.372 4.215 18.523 1.00 0.80 O ATOM 498 CB LEU A 29 135.363 2.086 16.328 1.00 0.48 C ATOM 499 CG LEU A 29 135.155 0.674 16.881 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.613 -0.247 15.798 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.455 0.125 17.454 1.00 0.58 C ATOM 0 H LEU A 29 133.868 3.124 14.646 1.00 0.34 H new ATOM 0 HA LEU A 29 133.584 2.625 17.409 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.424 2.030 15.241 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.323 2.461 16.682 1.00 0.48 H new ATOM 0 HG LEU A 29 134.423 0.724 17.687 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.471 -1.247 16.208 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.658 0.137 15.438 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.321 -0.292 14.970 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.286 -0.879 17.842 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.211 0.089 16.670 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.799 0.772 18.261 1.00 0.58 H new ATOM 513 N GLU A 30 134.903 5.457 16.697 1.00 0.42 N ATOM 514 CA GLU A 30 135.457 6.691 17.248 1.00 0.46 C ATOM 515 C GLU A 30 134.505 7.291 18.286 1.00 0.46 C ATOM 516 O GLU A 30 134.941 7.973 19.215 1.00 0.61 O ATOM 517 CB GLU A 30 135.734 7.701 16.131 1.00 0.51 C ATOM 518 CG GLU A 30 137.211 8.018 15.959 1.00 0.57 C ATOM 519 CD GLU A 30 137.703 9.056 16.949 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.862 8.715 18.141 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.930 10.211 16.532 1.00 1.24 O ATOM 0 H GLU A 30 134.521 5.551 15.756 1.00 0.42 H new ATOM 0 HA GLU A 30 136.400 6.453 17.741 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.342 7.310 15.192 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.194 8.624 16.343 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.792 7.103 16.078 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.386 8.377 14.945 1.00 0.57 H new ATOM 528 N ASP A 31 133.207 7.007 18.135 1.00 0.43 N ATOM 529 CA ASP A 31 132.192 7.489 19.069 1.00 0.58 C ATOM 530 C ASP A 31 132.157 6.609 20.322 1.00 0.59 C ATOM 531 O ASP A 31 131.713 7.047 21.385 1.00 0.78 O ATOM 532 CB ASP A 31 130.816 7.506 18.395 1.00 0.71 C ATOM 533 CG ASP A 31 130.435 8.887 17.900 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.828 9.241 16.768 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.745 9.616 18.643 1.00 1.65 O ATOM 0 H ASP A 31 132.837 6.443 17.370 1.00 0.43 H new ATOM 0 HA ASP A 31 132.449 8.506 19.366 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.816 6.809 17.557 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.064 7.155 19.101 1.00 0.71 H new ATOM 540 N TYR A 32 132.651 5.372 20.190 1.00 0.51 N ATOM 541 CA TYR A 32 132.703 4.434 21.310 1.00 0.56 C ATOM 542 C TYR A 32 133.799 4.847 22.293 1.00 0.55 C ATOM 543 O TYR A 32 133.653 4.677 23.505 1.00 0.64 O ATOM 544 CB TYR A 32 132.948 3.008 20.807 1.00 0.61 C ATOM 545 CG TYR A 32 131.675 2.252 20.493 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.845 1.798 21.511 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.302 1.995 19.179 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.681 1.110 21.229 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.138 1.309 18.889 1.00 1.19 C ATOM 550 CZ TYR A 32 129.332 0.868 19.917 1.00 1.23 C ATOM 551 OH TYR A 32 128.172 0.185 19.632 1.00 1.55 O ATOM 0 H TYR A 32 133.020 5.000 19.315 1.00 0.51 H new ATOM 0 HA TYR A 32 131.743 4.456 21.826 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.568 3.049 19.911 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.512 2.457 21.560 1.00 0.61 H new ATOM 0 HD1 TYR A 32 131.115 1.986 22.540 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.932 2.337 18.371 1.00 0.98 H new ATOM 0 HE1 TYR A 32 129.047 0.763 22.032 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.861 1.119 17.862 1.00 1.19 H new ATOM 0 HH TYR A 32 128.073 0.100 18.661 1.00 1.55 H new ATOM 561 N ILE A 33 134.885 5.417 21.760 1.00 0.53 N ATOM 562 CA ILE A 33 135.998 5.888 22.587 1.00 0.62 C ATOM 563 C ILE A 33 135.711 7.292 23.127 1.00 0.58 C ATOM 564 O ILE A 33 136.369 7.749 24.064 1.00 0.77 O ATOM 565 CB ILE A 33 137.348 5.920 21.822 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.310 5.027 20.575 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.484 5.496 22.745 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.594 5.044 19.773 1.00 0.85 C ATOM 0 H ILE A 33 135.016 5.563 20.759 1.00 0.53 H new ATOM 0 HA ILE A 33 136.088 5.173 23.405 1.00 0.62 H new ATOM 0 HB ILE A 33 137.521 6.944 21.490 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.096 4.002 20.879 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.488 5.347 19.935 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.426 5.522 22.198 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.538 6.179 23.593 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.302 4.484 23.105 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.491 4.390 18.907 1.00 0.85 H new ATOM 0 HD12 ILE A 33 138.800 6.060 19.437 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.417 4.694 20.396 1.00 0.85 H new ATOM 580 N ASP A 34 134.721 7.970 22.531 1.00 0.49 N ATOM 581 CA ASP A 34 134.343 9.315 22.954 1.00 0.54 C ATOM 582 C ASP A 34 133.822 9.306 24.387 1.00 0.44 C ATOM 583 O ASP A 34 134.146 10.190 25.168 1.00 0.47 O ATOM 584 CB ASP A 34 133.281 9.897 22.013 1.00 0.75 C ATOM 585 CG ASP A 34 133.806 11.060 21.193 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.232 12.069 21.795 1.00 1.42 O ATOM 587 OD2 ASP A 34 133.791 10.962 19.948 1.00 1.49 O ATOM 0 H ASP A 34 134.170 7.604 21.754 1.00 0.49 H new ATOM 0 HA ASP A 34 135.233 9.944 22.912 1.00 0.54 H new ATOM 0 HB2 ASP A 34 132.927 9.114 21.342 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.423 10.228 22.599 1.00 0.75 H new ATOM 592 N ASN A 35 133.020 8.293 24.725 1.00 0.53 N ATOM 593 CA ASN A 35 132.454 8.157 26.071 1.00 0.57 C ATOM 594 C ASN A 35 133.500 8.458 27.146 1.00 0.47 C ATOM 595 O ASN A 35 133.196 9.097 28.154 1.00 0.58 O ATOM 596 CB ASN A 35 131.888 6.747 26.273 1.00 0.74 C ATOM 597 CG ASN A 35 130.615 6.513 25.479 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.524 6.881 25.915 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.747 5.899 24.307 1.00 1.32 N ATOM 0 H ASN A 35 132.746 7.551 24.081 1.00 0.53 H new ATOM 0 HA ASN A 35 131.647 8.883 26.167 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.637 6.012 25.977 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.686 6.588 27.332 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.925 5.716 23.732 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.670 5.611 23.983 1.00 1.32 H new ATOM 606 N LEU A 36 134.737 8.011 26.911 1.00 0.42 N ATOM 607 CA LEU A 36 135.834 8.251 27.846 1.00 0.47 C ATOM 608 C LEU A 36 136.147 9.746 27.923 1.00 0.42 C ATOM 609 O LEU A 36 136.257 10.311 29.012 1.00 0.53 O ATOM 610 CB LEU A 36 137.090 7.475 27.423 1.00 0.66 C ATOM 611 CG LEU A 36 136.859 6.013 27.026 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.133 5.408 26.457 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.369 5.203 28.219 1.00 1.66 C ATOM 0 H LEU A 36 135.001 7.481 26.080 1.00 0.42 H new ATOM 0 HA LEU A 36 135.525 7.900 28.831 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.550 7.993 26.582 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.806 7.502 28.244 1.00 0.66 H new ATOM 0 HG LEU A 36 136.089 5.985 26.255 1.00 0.85 H new ATOM 0 HD11 LEU A 36 137.951 4.370 26.180 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.440 5.970 25.575 1.00 1.04 H new ATOM 0 HD13 LEU A 36 138.923 5.450 27.207 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.211 4.168 27.916 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.114 5.239 29.014 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.431 5.622 28.582 1.00 1.66 H new ATOM 625 N LEU A 37 136.275 10.380 26.753 1.00 0.36 N ATOM 626 CA LEU A 37 136.561 11.811 26.669 1.00 0.40 C ATOM 627 C LEU A 37 135.441 12.552 25.922 1.00 0.32 C ATOM 628 O LEU A 37 135.672 13.170 24.880 1.00 0.42 O ATOM 629 CB LEU A 37 137.915 12.046 25.987 1.00 0.56 C ATOM 630 CG LEU A 37 138.089 11.369 24.622 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.735 12.325 23.630 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.914 10.096 24.758 1.00 0.63 C ATOM 0 H LEU A 37 136.184 9.919 25.848 1.00 0.36 H new ATOM 0 HA LEU A 37 136.610 12.210 27.682 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.059 13.119 25.862 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.704 11.694 26.652 1.00 0.56 H new ATOM 0 HG LEU A 37 137.103 11.099 24.243 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.850 11.827 22.667 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.104 13.206 23.510 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.714 12.628 24.001 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.027 9.629 23.779 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.898 10.341 25.159 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.409 9.405 25.433 1.00 0.63 H new ATOM 644 N VAL A 38 134.223 12.467 26.473 1.00 0.29 N ATOM 645 CA VAL A 38 133.034 13.110 25.899 1.00 0.41 C ATOM 646 C VAL A 38 131.951 13.273 26.974 1.00 0.38 C ATOM 647 O VAL A 38 132.160 12.896 28.130 1.00 0.61 O ATOM 648 CB VAL A 38 132.468 12.326 24.685 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.466 11.264 25.124 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.837 13.280 23.677 1.00 0.99 C ATOM 0 H VAL A 38 134.034 11.949 27.331 1.00 0.29 H new ATOM 0 HA VAL A 38 133.340 14.091 25.536 1.00 0.41 H new ATOM 0 HB VAL A 38 133.301 11.814 24.203 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.090 10.735 24.249 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.955 10.557 25.793 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.635 11.741 25.644 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.446 12.711 22.833 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.024 13.827 24.154 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.589 13.984 23.322 1.00 0.99 H new ATOM 660 N ARG A 39 130.788 13.810 26.595 1.00 0.44 N ATOM 661 CA ARG A 39 129.685 13.985 27.537 1.00 0.47 C ATOM 662 C ARG A 39 129.035 12.634 27.838 1.00 0.53 C ATOM 663 O ARG A 39 128.410 12.027 26.965 1.00 0.86 O ATOM 664 CB ARG A 39 128.651 14.971 26.968 1.00 0.59 C ATOM 665 CG ARG A 39 127.257 14.842 27.573 1.00 0.75 C ATOM 666 CD ARG A 39 127.170 15.510 28.936 1.00 0.97 C ATOM 667 NE ARG A 39 126.619 16.864 28.848 1.00 0.93 N ATOM 668 CZ ARG A 39 127.266 17.974 29.222 1.00 1.00 C ATOM 669 NH1 ARG A 39 128.498 17.914 29.724 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.673 19.157 29.092 1.00 1.48 N ATOM 0 H ARG A 39 130.589 14.129 25.647 1.00 0.44 H new ATOM 0 HA ARG A 39 130.075 14.397 28.468 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.010 15.988 27.128 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.581 14.823 25.890 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.526 15.291 26.901 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.998 13.788 27.668 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.547 14.907 29.596 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.163 15.551 29.384 1.00 0.97 H new ATOM 0 HE ARG A 39 125.675 16.968 28.475 1.00 0.93 H new ATOM 0 HH11 ARG A 39 128.963 17.012 29.828 1.00 1.27 H new ATOM 0 HH12 ARG A 39 128.977 18.770 30.004 1.00 1.27 H new ATOM 0 HH21 ARG A 39 125.730 19.215 28.709 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.162 20.006 29.376 1.00 1.48 H new ATOM 684 N VAL A 40 129.194 12.164 29.075 1.00 0.46 N ATOM 685 CA VAL A 40 128.628 10.879 29.488 1.00 0.53 C ATOM 686 C VAL A 40 127.195 11.037 29.994 1.00 0.53 C ATOM 687 O VAL A 40 126.796 12.116 30.436 1.00 0.66 O ATOM 688 CB VAL A 40 129.479 10.199 30.585 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.779 9.664 30.000 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.759 11.158 31.736 1.00 0.78 C ATOM 0 H VAL A 40 129.709 12.652 29.808 1.00 0.46 H new ATOM 0 HA VAL A 40 128.629 10.246 28.601 1.00 0.53 H new ATOM 0 HB VAL A 40 128.909 9.359 30.981 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.364 9.189 30.788 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.555 8.933 29.223 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.350 10.487 29.570 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.359 10.653 32.493 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.302 12.026 31.362 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.816 11.482 32.177 1.00 0.78 H new ATOM 700 N MET A 41 126.427 9.949 29.922 1.00 0.53 N ATOM 701 CA MET A 41 125.035 9.953 30.369 1.00 0.60 C ATOM 702 C MET A 41 124.777 8.828 31.368 1.00 0.86 C ATOM 703 O MET A 41 125.243 7.702 31.189 1.00 1.20 O ATOM 704 CB MET A 41 124.086 9.820 29.171 1.00 0.75 C ATOM 705 CG MET A 41 124.480 8.723 28.191 1.00 0.56 C ATOM 706 SD MET A 41 123.168 8.336 27.016 1.00 0.67 S ATOM 707 CE MET A 41 123.258 9.755 25.927 1.00 0.54 C ATOM 0 H MET A 41 126.747 9.052 29.557 1.00 0.53 H new ATOM 0 HA MET A 41 124.846 10.904 30.866 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.079 9.621 29.538 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.050 10.772 28.641 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.371 9.032 27.645 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.742 7.822 28.746 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.505 9.661 25.145 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.076 10.665 26.499 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.248 9.804 25.474 1.00 0.54 H new ATOM 718 N GLY B 1 135.093 4.337 -27.709 1.00 0.61 N ATOM 719 CA GLY B 1 136.471 3.860 -28.022 1.00 0.61 C ATOM 720 C GLY B 1 136.903 2.700 -27.142 1.00 0.52 C ATOM 721 O GLY B 1 137.116 1.589 -27.633 1.00 0.60 O ATOM 0 H1 GLY B 1 134.848 5.129 -28.338 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.416 3.560 -27.851 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.052 4.655 -26.720 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.517 3.555 -29.067 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.173 4.685 -27.900 1.00 0.61 H new ATOM 727 N SER B 2 137.034 2.960 -25.842 1.00 0.50 N ATOM 728 CA SER B 2 137.445 1.933 -24.884 1.00 0.49 C ATOM 729 C SER B 2 136.452 1.802 -23.731 1.00 0.47 C ATOM 730 O SER B 2 136.764 1.185 -22.719 1.00 0.63 O ATOM 731 CB SER B 2 138.841 2.251 -24.340 1.00 0.55 C ATOM 732 OG SER B 2 139.817 2.181 -25.365 1.00 0.67 O ATOM 0 H SER B 2 136.861 3.875 -25.427 1.00 0.50 H new ATOM 0 HA SER B 2 137.468 0.979 -25.411 1.00 0.49 H new ATOM 0 HB2 SER B 2 138.844 3.248 -23.898 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.093 1.549 -23.545 1.00 0.55 H new ATOM 0 HG SER B 2 140.699 2.390 -24.992 1.00 0.67 H new ATOM 738 N LEU B 3 135.247 2.353 -23.889 1.00 0.48 N ATOM 739 CA LEU B 3 134.226 2.246 -22.850 1.00 0.55 C ATOM 740 C LEU B 3 133.678 0.820 -22.837 1.00 0.65 C ATOM 741 O LEU B 3 132.547 0.570 -23.260 1.00 1.02 O ATOM 742 CB LEU B 3 133.100 3.261 -23.093 1.00 0.62 C ATOM 743 CG LEU B 3 133.331 4.648 -22.485 1.00 0.61 C ATOM 744 CD1 LEU B 3 134.338 5.438 -23.310 1.00 0.61 C ATOM 745 CD2 LEU B 3 132.016 5.408 -22.376 1.00 0.76 C ATOM 0 H LEU B 3 134.958 2.872 -24.718 1.00 0.48 H new ATOM 0 HA LEU B 3 134.669 2.470 -21.880 1.00 0.55 H new ATOM 0 HB2 LEU B 3 132.958 3.372 -24.168 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.173 2.855 -22.689 1.00 0.62 H new ATOM 0 HG LEU B 3 133.739 4.518 -21.483 1.00 0.61 H new ATOM 0 HD11 LEU B 3 134.487 6.420 -22.860 1.00 0.61 H new ATOM 0 HD12 LEU B 3 135.287 4.903 -23.335 1.00 0.61 H new ATOM 0 HD13 LEU B 3 133.962 5.558 -24.326 1.00 0.61 H new ATOM 0 HD21 LEU B 3 132.199 6.391 -21.942 1.00 0.76 H new ATOM 0 HD22 LEU B 3 131.580 5.525 -23.368 1.00 0.76 H new ATOM 0 HD23 LEU B 3 131.327 4.853 -21.740 1.00 0.76 H new ATOM 757 N THR B 4 134.507 -0.117 -22.363 1.00 0.46 N ATOM 758 CA THR B 4 134.150 -1.532 -22.305 1.00 0.55 C ATOM 759 C THR B 4 135.004 -2.249 -21.248 1.00 0.42 C ATOM 760 O THR B 4 135.554 -1.608 -20.348 1.00 0.43 O ATOM 761 CB THR B 4 134.352 -2.182 -23.686 1.00 0.72 C ATOM 762 OG1 THR B 4 135.675 -1.974 -24.151 1.00 0.70 O ATOM 763 CG2 THR B 4 133.409 -1.659 -24.751 1.00 0.90 C ATOM 0 H THR B 4 135.442 0.088 -22.010 1.00 0.46 H new ATOM 0 HA THR B 4 133.101 -1.622 -22.025 1.00 0.55 H new ATOM 0 HB THR B 4 134.144 -3.241 -23.531 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.783 -2.396 -25.029 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.611 -2.164 -25.696 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.379 -1.851 -24.451 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.558 -0.586 -24.874 1.00 0.90 H new ATOM 771 N TYR B 5 135.108 -3.577 -21.359 1.00 0.50 N ATOM 772 CA TYR B 5 135.890 -4.381 -20.414 1.00 0.45 C ATOM 773 C TYR B 5 137.371 -4.001 -20.473 1.00 0.41 C ATOM 774 O TYR B 5 137.932 -3.527 -19.489 1.00 0.46 O ATOM 775 CB TYR B 5 135.704 -5.872 -20.724 1.00 0.57 C ATOM 776 CG TYR B 5 136.647 -6.792 -19.975 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.488 -7.032 -18.615 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.692 -7.428 -20.634 1.00 0.80 C ATOM 779 CE1 TYR B 5 137.343 -7.877 -17.935 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.552 -8.273 -19.960 1.00 0.92 C ATOM 781 CZ TYR B 5 138.373 -8.495 -18.611 1.00 0.67 C ATOM 782 OH TYR B 5 139.226 -9.339 -17.938 1.00 0.84 O ATOM 0 H TYR B 5 134.659 -4.120 -22.097 1.00 0.50 H new ATOM 0 HA TYR B 5 135.532 -4.181 -19.404 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.678 -6.154 -20.488 1.00 0.57 H new ATOM 0 HB3 TYR B 5 135.839 -6.027 -21.794 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.682 -6.550 -18.081 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.834 -7.259 -21.691 1.00 0.80 H new ATOM 0 HE1 TYR B 5 137.205 -8.053 -16.878 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.361 -8.757 -20.487 1.00 0.92 H new ATOM 0 HH TYR B 5 139.895 -9.692 -18.561 1.00 0.84 H new ATOM 792 N GLU B 6 137.990 -4.262 -21.629 1.00 0.49 N ATOM 793 CA GLU B 6 139.416 -3.989 -21.862 1.00 0.50 C ATOM 794 C GLU B 6 139.902 -2.703 -21.173 1.00 0.38 C ATOM 795 O GLU B 6 141.079 -2.596 -20.824 1.00 0.44 O ATOM 796 CB GLU B 6 139.698 -3.900 -23.365 1.00 0.62 C ATOM 797 CG GLU B 6 140.844 -4.790 -23.820 1.00 0.68 C ATOM 798 CD GLU B 6 141.834 -4.061 -24.709 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.753 -3.412 -24.166 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.690 -4.139 -25.947 1.00 1.14 O ATOM 0 H GLU B 6 137.516 -4.670 -22.434 1.00 0.49 H new ATOM 0 HA GLU B 6 139.967 -4.820 -21.422 1.00 0.50 H new ATOM 0 HB2 GLU B 6 138.796 -4.174 -23.913 1.00 0.62 H new ATOM 0 HB3 GLU B 6 139.927 -2.866 -23.623 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.365 -5.179 -22.946 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.441 -5.647 -24.359 1.00 0.68 H new ATOM 807 N GLU B 7 138.994 -1.745 -20.955 1.00 0.32 N ATOM 808 CA GLU B 7 139.351 -0.498 -20.286 1.00 0.29 C ATOM 809 C GLU B 7 139.181 -0.611 -18.768 1.00 0.27 C ATOM 810 O GLU B 7 140.055 -0.184 -18.010 1.00 0.43 O ATOM 811 CB GLU B 7 138.510 0.658 -20.823 1.00 0.43 C ATOM 812 CG GLU B 7 138.624 1.941 -20.011 1.00 0.57 C ATOM 813 CD GLU B 7 137.422 2.170 -19.114 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.350 2.538 -19.640 1.00 1.00 O ATOM 815 OE2 GLU B 7 137.552 1.981 -17.886 1.00 0.80 O ATOM 0 H GLU B 7 138.014 -1.812 -21.231 1.00 0.32 H new ATOM 0 HA GLU B 7 140.402 -0.299 -20.496 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.809 0.864 -21.851 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.465 0.350 -20.851 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.526 1.902 -19.401 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.734 2.788 -20.689 1.00 0.57 H new ATOM 822 N VAL B 8 138.055 -1.187 -18.329 1.00 0.35 N ATOM 823 CA VAL B 8 137.778 -1.356 -16.901 1.00 0.37 C ATOM 824 C VAL B 8 138.872 -2.172 -16.204 1.00 0.28 C ATOM 825 O VAL B 8 139.121 -1.987 -15.012 1.00 0.40 O ATOM 826 CB VAL B 8 136.398 -2.021 -16.661 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.486 -3.541 -16.743 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.823 -1.585 -15.319 1.00 0.78 C ATOM 0 H VAL B 8 137.323 -1.543 -18.943 1.00 0.35 H new ATOM 0 HA VAL B 8 137.763 -0.356 -16.469 1.00 0.37 H new ATOM 0 HB VAL B 8 135.726 -1.689 -17.453 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.500 -3.972 -16.570 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.841 -3.832 -17.732 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.180 -3.907 -15.986 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.854 -2.061 -15.166 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.502 -1.880 -14.519 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.701 -0.502 -15.310 1.00 0.78 H new ATOM 838 N LEU B 9 139.520 -3.073 -16.952 1.00 0.35 N ATOM 839 CA LEU B 9 140.588 -3.911 -16.402 1.00 0.49 C ATOM 840 C LEU B 9 141.652 -3.057 -15.708 1.00 0.52 C ATOM 841 O LEU B 9 142.038 -3.340 -14.573 1.00 0.74 O ATOM 842 CB LEU B 9 141.234 -4.753 -17.508 1.00 0.65 C ATOM 843 CG LEU B 9 140.987 -6.260 -17.406 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.558 -6.978 -18.620 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.588 -6.817 -16.122 1.00 0.76 C ATOM 0 H LEU B 9 139.322 -3.239 -17.939 1.00 0.35 H new ATOM 0 HA LEU B 9 140.143 -4.578 -15.663 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.863 -4.404 -18.472 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.309 -4.575 -17.497 1.00 0.65 H new ATOM 0 HG LEU B 9 139.911 -6.430 -17.381 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.373 -8.048 -18.530 1.00 0.85 H new ATOM 0 HD12 LEU B 9 141.079 -6.602 -19.524 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.632 -6.799 -18.677 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.402 -7.890 -16.068 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.663 -6.635 -16.114 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.130 -6.326 -15.263 1.00 0.76 H new ATOM 857 N GLN B 10 142.115 -2.008 -16.396 1.00 0.41 N ATOM 858 CA GLN B 10 143.130 -1.105 -15.846 1.00 0.48 C ATOM 859 C GLN B 10 142.625 -0.380 -14.592 1.00 0.42 C ATOM 860 O GLN B 10 143.425 0.077 -13.774 1.00 0.48 O ATOM 861 CB GLN B 10 143.557 -0.081 -16.902 1.00 0.58 C ATOM 862 CG GLN B 10 144.618 -0.601 -17.859 1.00 0.66 C ATOM 863 CD GLN B 10 146.003 -0.064 -17.544 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.544 -0.308 -16.465 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.585 0.673 -18.485 1.00 0.83 N ATOM 0 H GLN B 10 141.802 -1.764 -17.336 1.00 0.41 H new ATOM 0 HA GLN B 10 143.989 -1.712 -15.560 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.681 0.225 -17.475 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.937 0.809 -16.400 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.637 -1.690 -17.818 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.349 -0.325 -18.879 1.00 0.66 H new ATOM 0 HE21 GLN B 10 146.101 0.851 -19.365 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.515 1.060 -18.327 1.00 0.83 H new ATOM 874 N GLU B 11 141.300 -0.299 -14.434 1.00 0.40 N ATOM 875 CA GLU B 11 140.701 0.345 -13.266 1.00 0.42 C ATOM 876 C GLU B 11 140.723 -0.605 -12.067 1.00 0.37 C ATOM 877 O GLU B 11 140.862 -0.171 -10.922 1.00 0.54 O ATOM 878 CB GLU B 11 139.260 0.772 -13.568 1.00 0.48 C ATOM 879 CG GLU B 11 139.120 2.243 -13.921 1.00 0.62 C ATOM 880 CD GLU B 11 137.677 2.711 -13.895 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.214 3.149 -12.821 1.00 1.53 O ATOM 882 OE2 GLU B 11 137.010 2.638 -14.949 1.00 1.61 O ATOM 0 H GLU B 11 140.624 -0.672 -15.101 1.00 0.40 H new ATOM 0 HA GLU B 11 141.286 1.233 -13.025 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.878 0.171 -14.394 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.637 0.555 -12.701 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.705 2.839 -13.220 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.537 2.417 -14.913 1.00 0.62 H new ATOM 889 N LEU B 12 140.606 -1.908 -12.350 1.00 0.32 N ATOM 890 CA LEU B 12 140.633 -2.931 -11.308 1.00 0.30 C ATOM 891 C LEU B 12 142.003 -2.955 -10.635 1.00 0.28 C ATOM 892 O LEU B 12 142.107 -2.766 -9.421 1.00 0.36 O ATOM 893 CB LEU B 12 140.305 -4.311 -11.893 1.00 0.32 C ATOM 894 CG LEU B 12 139.720 -5.328 -10.904 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.741 -5.691 -9.833 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.445 -4.790 -10.269 1.00 0.54 C ATOM 0 H LEU B 12 140.492 -2.275 -13.295 1.00 0.32 H new ATOM 0 HA LEU B 12 139.875 -2.687 -10.563 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.598 -4.180 -12.712 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.215 -4.730 -12.321 1.00 0.32 H new ATOM 0 HG LEU B 12 139.471 -6.233 -11.457 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.304 -6.413 -9.143 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.623 -6.126 -10.303 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.028 -4.794 -9.285 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.047 -5.527 -9.571 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.667 -3.866 -9.734 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.707 -4.591 -11.046 1.00 0.54 H new ATOM 908 N VAL B 13 143.052 -3.182 -11.433 1.00 0.25 N ATOM 909 CA VAL B 13 144.416 -3.220 -10.911 1.00 0.26 C ATOM 910 C VAL B 13 144.724 -1.952 -10.109 1.00 0.22 C ATOM 911 O VAL B 13 145.097 -2.039 -8.937 1.00 0.26 O ATOM 912 CB VAL B 13 145.470 -3.417 -12.034 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.320 -2.378 -13.138 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.882 -3.392 -11.458 1.00 0.52 C ATOM 0 H VAL B 13 142.980 -3.341 -12.438 1.00 0.25 H new ATOM 0 HA VAL B 13 144.480 -4.084 -10.249 1.00 0.26 H new ATOM 0 HB VAL B 13 145.294 -4.396 -12.480 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.076 -2.550 -13.905 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.328 -2.459 -13.582 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.449 -1.380 -12.719 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.605 -3.532 -12.261 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.060 -2.432 -10.972 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.991 -4.194 -10.728 1.00 0.52 H new ATOM 924 N LYS B 14 144.571 -0.778 -10.743 1.00 0.24 N ATOM 925 CA LYS B 14 144.832 0.509 -10.089 1.00 0.25 C ATOM 926 C LYS B 14 144.312 0.535 -8.652 1.00 0.22 C ATOM 927 O LYS B 14 145.002 1.014 -7.752 1.00 0.29 O ATOM 928 CB LYS B 14 144.192 1.648 -10.888 1.00 0.34 C ATOM 929 CG LYS B 14 145.141 2.800 -11.176 1.00 0.87 C ATOM 930 CD LYS B 14 144.623 3.680 -12.302 1.00 0.75 C ATOM 931 CE LYS B 14 145.103 5.116 -12.156 1.00 0.70 C ATOM 932 NZ LYS B 14 144.562 5.997 -13.229 1.00 0.72 N ATOM 0 H LYS B 14 144.266 -0.697 -11.713 1.00 0.24 H new ATOM 0 HA LYS B 14 145.913 0.644 -10.057 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.818 1.252 -11.832 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.331 2.027 -10.338 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.271 3.399 -10.275 1.00 0.87 H new ATOM 0 HG3 LYS B 14 146.122 2.407 -11.442 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.956 3.280 -13.260 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.533 3.659 -12.309 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.800 5.502 -11.183 1.00 0.70 H new ATOM 0 HE3 LYS B 14 146.192 5.139 -12.183 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.913 6.966 -13.092 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.872 5.644 -14.157 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.523 5.996 -13.188 1.00 0.72 H new ATOM 946 N HIS B 15 143.101 0.010 -8.438 1.00 0.24 N ATOM 947 CA HIS B 15 142.511 -0.029 -7.102 1.00 0.27 C ATOM 948 C HIS B 15 143.420 -0.800 -6.147 1.00 0.25 C ATOM 949 O HIS B 15 143.979 -0.223 -5.214 1.00 0.45 O ATOM 950 CB HIS B 15 141.121 -0.677 -7.138 1.00 0.33 C ATOM 951 CG HIS B 15 140.023 0.263 -7.534 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.816 1.483 -6.925 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.062 0.151 -8.483 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.776 2.080 -7.481 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.302 1.293 -8.428 1.00 0.76 N ATOM 0 H HIS B 15 142.515 -0.391 -9.170 1.00 0.24 H new ATOM 0 HA HIS B 15 142.405 0.996 -6.746 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.139 -1.514 -7.836 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.897 -1.088 -6.154 1.00 0.33 H new ATOM 0 HD2 HIS B 15 138.920 -0.681 -9.157 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.381 3.047 -7.207 1.00 0.89 H new ATOM 0 HE2 HIS B 15 137.500 1.500 -9.023 1.00 0.76 H new ATOM 964 N LYS B 16 143.547 -2.110 -6.382 1.00 0.21 N ATOM 965 CA LYS B 16 144.372 -2.986 -5.546 1.00 0.27 C ATOM 966 C LYS B 16 145.743 -2.384 -5.223 1.00 0.36 C ATOM 967 O LYS B 16 146.184 -2.448 -4.075 1.00 0.69 O ATOM 968 CB LYS B 16 144.555 -4.343 -6.230 1.00 0.35 C ATOM 969 CG LYS B 16 143.412 -5.312 -5.975 1.00 0.46 C ATOM 970 CD LYS B 16 143.111 -6.156 -7.204 1.00 0.49 C ATOM 971 CE LYS B 16 143.839 -7.491 -7.159 1.00 0.53 C ATOM 972 NZ LYS B 16 145.272 -7.361 -7.549 1.00 0.61 N ATOM 0 H LYS B 16 143.083 -2.590 -7.153 1.00 0.21 H new ATOM 0 HA LYS B 16 143.843 -3.108 -4.601 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.656 -4.188 -7.304 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.486 -4.793 -5.884 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.666 -5.963 -5.139 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.520 -4.756 -5.687 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.037 -6.329 -7.273 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.405 -5.611 -8.101 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.774 -7.905 -6.153 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.344 -8.196 -7.827 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.730 -8.294 -7.505 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.336 -6.990 -8.518 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.752 -6.709 -6.896 1.00 0.61 H new ATOM 986 N GLU B 17 146.421 -1.807 -6.222 1.00 0.30 N ATOM 987 CA GLU B 17 147.741 -1.213 -6.004 1.00 0.38 C ATOM 988 C GLU B 17 147.644 0.079 -5.192 1.00 0.32 C ATOM 989 O GLU B 17 148.490 0.344 -4.336 1.00 0.40 O ATOM 990 CB GLU B 17 148.428 -0.940 -7.346 1.00 0.51 C ATOM 991 CG GLU B 17 149.892 -0.545 -7.216 1.00 0.80 C ATOM 992 CD GLU B 17 150.126 0.929 -7.490 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.027 1.733 -6.539 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.407 1.279 -8.656 1.00 1.47 O ATOM 0 H GLU B 17 146.079 -1.740 -7.181 1.00 0.30 H new ATOM 0 HA GLU B 17 148.337 -1.925 -5.434 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.356 -1.832 -7.969 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.891 -0.145 -7.864 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.241 -0.784 -6.211 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.487 -1.139 -7.910 1.00 0.80 H new ATOM 1001 N LEU B 18 146.599 0.869 -5.448 1.00 0.32 N ATOM 1002 CA LEU B 18 146.388 2.119 -4.719 1.00 0.34 C ATOM 1003 C LEU B 18 146.151 1.827 -3.240 1.00 0.35 C ATOM 1004 O LEU B 18 146.654 2.538 -2.368 1.00 0.66 O ATOM 1005 CB LEU B 18 145.201 2.893 -5.301 1.00 0.51 C ATOM 1006 CG LEU B 18 145.556 3.874 -6.421 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.312 4.261 -7.207 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.239 5.110 -5.850 1.00 0.75 C ATOM 0 H LEU B 18 145.889 0.666 -6.152 1.00 0.32 H new ATOM 0 HA LEU B 18 147.282 2.734 -4.822 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.472 2.178 -5.682 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.716 3.444 -4.496 1.00 0.51 H new ATOM 0 HG LEU B 18 146.251 3.383 -7.103 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.584 4.959 -7.999 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.867 3.368 -7.647 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.592 4.733 -6.539 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.485 5.797 -6.660 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.569 5.604 -5.146 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.153 4.815 -5.335 1.00 0.75 H new ATOM 1020 N LEU B 19 145.401 0.754 -2.971 1.00 0.45 N ATOM 1021 CA LEU B 19 145.115 0.335 -1.604 1.00 0.47 C ATOM 1022 C LEU B 19 146.399 -0.127 -0.917 1.00 0.33 C ATOM 1023 O LEU B 19 146.577 0.077 0.285 1.00 0.45 O ATOM 1024 CB LEU B 19 144.078 -0.793 -1.596 1.00 0.63 C ATOM 1025 CG LEU B 19 142.839 -0.526 -0.739 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.622 -1.226 -1.326 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.078 -0.975 0.695 1.00 0.96 C ATOM 0 H LEU B 19 144.982 0.161 -3.687 1.00 0.45 H new ATOM 0 HA LEU B 19 144.708 1.186 -1.058 1.00 0.47 H new ATOM 0 HB2 LEU B 19 143.759 -0.980 -2.621 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.558 -1.705 -1.240 1.00 0.63 H new ATOM 0 HG LEU B 19 142.646 0.547 -0.735 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.751 -1.025 -0.703 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.440 -0.855 -2.335 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.802 -2.300 -1.361 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.187 -0.778 1.291 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.296 -2.043 0.710 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.922 -0.426 1.112 1.00 0.96 H new ATOM 1039 N ARG B 20 147.299 -0.735 -1.699 1.00 0.35 N ATOM 1040 CA ARG B 20 148.577 -1.207 -1.177 1.00 0.49 C ATOM 1041 C ARG B 20 149.408 -0.032 -0.681 1.00 0.40 C ATOM 1042 O ARG B 20 149.760 0.013 0.498 1.00 0.49 O ATOM 1043 CB ARG B 20 149.340 -1.994 -2.247 1.00 0.76 C ATOM 1044 CG ARG B 20 148.874 -3.435 -2.383 1.00 0.85 C ATOM 1045 CD ARG B 20 149.794 -4.241 -3.285 1.00 0.96 C ATOM 1046 NE ARG B 20 149.518 -5.676 -3.209 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.283 -6.617 -3.769 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.372 -6.282 -4.456 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.956 -7.899 -3.642 1.00 1.59 N ATOM 0 H ARG B 20 147.161 -0.909 -2.695 1.00 0.35 H new ATOM 0 HA ARG B 20 148.384 -1.875 -0.338 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.227 -1.491 -3.207 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.403 -1.985 -2.006 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.833 -3.899 -1.397 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.861 -3.453 -2.786 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.678 -3.904 -4.315 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.831 -4.056 -3.004 1.00 0.96 H new ATOM 0 HE ARG B 20 148.689 -5.977 -2.696 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.628 -5.300 -4.558 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.950 -7.007 -4.880 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.122 -8.163 -3.118 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.539 -8.619 -4.069 1.00 1.59 H new ATOM 1063 N ARG B 21 149.730 0.919 -1.574 1.00 0.35 N ATOM 1064 CA ARG B 21 150.524 2.094 -1.207 1.00 0.35 C ATOM 1065 C ARG B 21 150.095 2.671 0.140 1.00 0.34 C ATOM 1066 O ARG B 21 150.942 2.989 0.970 1.00 0.47 O ATOM 1067 CB ARG B 21 150.405 3.172 -2.291 1.00 0.45 C ATOM 1068 CG ARG B 21 151.722 3.492 -2.980 1.00 0.70 C ATOM 1069 CD ARG B 21 151.549 4.572 -4.037 1.00 0.98 C ATOM 1070 NE ARG B 21 152.826 4.975 -4.627 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.655 5.874 -4.086 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.360 6.457 -2.925 1.00 2.12 N ATOM 1073 NH2 ARG B 21 154.788 6.187 -4.707 1.00 1.53 N ATOM 0 H ARG B 21 149.450 0.893 -2.555 1.00 0.35 H new ATOM 0 HA ARG B 21 151.562 1.773 -1.120 1.00 0.35 H new ATOM 0 HB2 ARG B 21 149.683 2.844 -3.039 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.008 4.083 -1.843 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.451 3.820 -2.239 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.121 2.589 -3.442 1.00 0.70 H new ATOM 0 HD2 ARG B 21 150.887 4.207 -4.822 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.066 5.441 -3.591 1.00 0.98 H new ATOM 0 HE ARG B 21 153.102 4.542 -5.508 1.00 0.97 H new ATOM 0 HH11 ARG B 21 152.495 6.219 -2.440 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.999 7.141 -2.521 1.00 2.12 H new ATOM 0 HH21 ARG B 21 155.023 5.742 -5.594 1.00 1.53 H new ATOM 0 HH22 ARG B 21 155.422 6.872 -4.296 1.00 1.53 H new ATOM 1087 N LYS B 22 148.779 2.802 0.352 1.00 0.30 N ATOM 1088 CA LYS B 22 148.252 3.335 1.611 1.00 0.36 C ATOM 1089 C LYS B 22 148.994 2.722 2.800 1.00 0.31 C ATOM 1090 O LYS B 22 149.450 3.435 3.695 1.00 0.36 O ATOM 1091 CB LYS B 22 146.751 3.059 1.725 1.00 0.47 C ATOM 1092 CG LYS B 22 145.884 4.211 1.244 1.00 0.69 C ATOM 1093 CD LYS B 22 144.415 3.977 1.560 1.00 0.86 C ATOM 1094 CE LYS B 22 144.148 4.029 3.057 1.00 0.70 C ATOM 1095 NZ LYS B 22 142.833 4.655 3.368 1.00 0.70 N ATOM 0 H LYS B 22 148.064 2.547 -0.330 1.00 0.30 H new ATOM 0 HA LYS B 22 148.407 4.414 1.620 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.509 2.167 1.147 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.508 2.841 2.765 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.215 5.137 1.714 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.010 4.337 0.169 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.809 4.730 1.056 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.108 3.007 1.169 1.00 0.86 H new ATOM 0 HE2 LYS B 22 144.174 3.019 3.465 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.942 4.592 3.548 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.691 4.670 4.398 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 142.816 5.628 3.002 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.072 4.104 2.922 1.00 0.70 H new ATOM 1109 N ASP B 23 149.136 1.395 2.775 1.00 0.32 N ATOM 1110 CA ASP B 23 149.853 0.670 3.820 1.00 0.32 C ATOM 1111 C ASP B 23 151.339 1.024 3.764 1.00 0.30 C ATOM 1112 O ASP B 23 151.899 1.545 4.727 1.00 0.37 O ATOM 1113 CB ASP B 23 149.658 -0.839 3.636 1.00 0.36 C ATOM 1114 CG ASP B 23 148.224 -1.271 3.875 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.881 -1.578 5.036 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.443 -1.299 2.900 1.00 1.15 O ATOM 0 H ASP B 23 148.760 0.800 2.037 1.00 0.32 H new ATOM 0 HA ASP B 23 149.458 0.956 4.795 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.956 -1.120 2.626 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.315 -1.374 4.322 1.00 0.36 H new ATOM 1121 N THR B 24 151.964 0.732 2.620 1.00 0.28 N ATOM 1122 CA THR B 24 153.387 1.015 2.405 1.00 0.29 C ATOM 1123 C THR B 24 153.766 2.408 2.923 1.00 0.27 C ATOM 1124 O THR B 24 154.815 2.580 3.543 1.00 0.32 O ATOM 1125 CB THR B 24 153.725 0.904 0.912 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.765 -0.454 0.505 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.053 1.535 0.538 1.00 0.55 C ATOM 0 H THR B 24 151.503 0.296 1.822 1.00 0.28 H new ATOM 0 HA THR B 24 153.963 0.278 2.965 1.00 0.29 H new ATOM 0 HB THR B 24 152.931 1.449 0.402 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.980 -0.503 -0.450 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.223 1.417 -0.532 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.035 2.596 0.788 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.856 1.046 1.089 1.00 0.55 H new ATOM 1135 N HIS B 25 152.904 3.396 2.664 1.00 0.26 N ATOM 1136 CA HIS B 25 153.145 4.770 3.100 1.00 0.29 C ATOM 1137 C HIS B 25 153.132 4.882 4.624 1.00 0.31 C ATOM 1138 O HIS B 25 154.075 5.408 5.215 1.00 0.41 O ATOM 1139 CB HIS B 25 152.102 5.715 2.497 1.00 0.34 C ATOM 1140 CG HIS B 25 152.705 6.873 1.765 1.00 0.34 C ATOM 1141 ND1 HIS B 25 152.395 8.187 2.048 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.614 6.910 0.762 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.086 8.981 1.249 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.833 8.231 0.461 1.00 0.74 N ATOM 0 H HIS B 25 152.031 3.266 2.153 1.00 0.26 H new ATOM 0 HA HIS B 25 154.135 5.059 2.747 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.465 5.154 1.813 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.460 6.092 3.293 1.00 0.34 H new ATOM 0 HD2 HIS B 25 154.080 6.059 0.287 1.00 0.94 H new ATOM 0 HE1 HIS B 25 153.046 10.060 1.242 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.470 8.577 -0.256 1.00 0.74 H new ATOM 1153 N ILE B 26 152.067 4.379 5.256 1.00 0.29 N ATOM 1154 CA ILE B 26 151.951 4.424 6.717 1.00 0.35 C ATOM 1155 C ILE B 26 153.040 3.584 7.396 1.00 0.35 C ATOM 1156 O ILE B 26 153.313 3.761 8.584 1.00 0.47 O ATOM 1157 CB ILE B 26 150.561 3.951 7.208 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.317 2.487 6.831 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.464 4.843 6.640 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.227 1.822 7.644 1.00 0.68 C ATOM 0 H ILE B 26 151.278 3.939 4.783 1.00 0.29 H new ATOM 0 HA ILE B 26 152.080 5.470 6.997 1.00 0.35 H new ATOM 0 HB ILE B 26 150.539 4.027 8.295 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.055 2.432 5.774 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.245 1.929 6.958 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.493 4.497 6.995 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.625 5.870 6.967 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.488 4.801 5.551 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.111 0.788 7.320 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.496 1.844 8.700 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.287 2.355 7.498 1.00 0.68 H new ATOM 1172 N ARG B 27 153.676 2.688 6.631 1.00 0.31 N ATOM 1173 CA ARG B 27 154.750 1.847 7.156 1.00 0.37 C ATOM 1174 C ARG B 27 156.098 2.546 6.976 1.00 0.34 C ATOM 1175 O ARG B 27 156.937 2.536 7.879 1.00 0.39 O ATOM 1176 CB ARG B 27 154.758 0.487 6.452 1.00 0.46 C ATOM 1177 CG ARG B 27 155.177 -0.664 7.354 1.00 0.53 C ATOM 1178 CD ARG B 27 156.677 -0.913 7.289 1.00 0.80 C ATOM 1179 NE ARG B 27 156.991 -2.247 6.776 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.117 -2.545 5.478 1.00 0.92 C ATOM 1181 NH1 ARG B 27 156.968 -1.604 4.548 1.00 1.21 N ATOM 1182 NH2 ARG B 27 157.397 -3.791 5.110 1.00 1.67 N ATOM 0 H ARG B 27 153.463 2.529 5.646 1.00 0.31 H new ATOM 0 HA ARG B 27 154.577 1.683 8.220 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.762 0.285 6.059 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.434 0.533 5.598 1.00 0.46 H new ATOM 0 HG2 ARG B 27 154.889 -0.444 8.382 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.645 -1.569 7.060 1.00 0.53 H new ATOM 0 HD2 ARG B 27 157.142 -0.161 6.651 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.107 -0.797 8.284 1.00 0.80 H new ATOM 0 HE ARG B 27 157.122 -2.999 7.453 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.756 -0.645 4.822 1.00 1.21 H new ATOM 0 HH12 ARG B 27 157.066 -1.842 3.561 1.00 1.21 H new ATOM 0 HH21 ARG B 27 157.515 -4.517 5.817 1.00 1.67 H new ATOM 0 HH22 ARG B 27 157.494 -4.021 4.121 1.00 1.67 H new ATOM 1196 N GLU B 28 156.287 3.171 5.809 1.00 0.33 N ATOM 1197 CA GLU B 28 157.518 3.901 5.507 1.00 0.36 C ATOM 1198 C GLU B 28 157.636 5.119 6.424 1.00 0.35 C ATOM 1199 O GLU B 28 158.655 5.306 7.090 1.00 0.44 O ATOM 1200 CB GLU B 28 157.532 4.325 4.027 1.00 0.47 C ATOM 1201 CG GLU B 28 158.309 5.605 3.741 1.00 0.78 C ATOM 1202 CD GLU B 28 159.812 5.392 3.731 1.00 1.17 C ATOM 1203 OE1 GLU B 28 160.437 5.512 4.806 1.00 1.79 O ATOM 1204 OE2 GLU B 28 160.364 5.108 2.647 1.00 1.62 O ATOM 0 H GLU B 28 155.598 3.184 5.057 1.00 0.33 H new ATOM 0 HA GLU B 28 158.375 3.251 5.683 1.00 0.36 H new ATOM 0 HB2 GLU B 28 157.960 3.516 3.435 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.504 4.457 3.691 1.00 0.47 H new ATOM 0 HG2 GLU B 28 157.997 6.006 2.777 1.00 0.78 H new ATOM 0 HG3 GLU B 28 158.058 6.353 4.493 1.00 0.78 H new ATOM 1211 N LEU B 29 156.575 5.931 6.470 1.00 0.33 N ATOM 1212 CA LEU B 29 156.548 7.119 7.325 1.00 0.38 C ATOM 1213 C LEU B 29 156.606 6.741 8.810 1.00 0.42 C ATOM 1214 O LEU B 29 156.852 7.597 9.658 1.00 0.79 O ATOM 1215 CB LEU B 29 155.290 7.949 7.053 1.00 0.46 C ATOM 1216 CG LEU B 29 155.544 9.307 6.394 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.229 9.245 4.908 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.724 10.395 7.074 1.00 0.59 C ATOM 0 H LEU B 29 155.725 5.786 5.925 1.00 0.33 H new ATOM 0 HA LEU B 29 157.430 7.714 7.087 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.622 7.371 6.415 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.768 8.111 7.996 1.00 0.46 H new ATOM 0 HG LEU B 29 156.599 9.554 6.510 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.415 10.219 4.456 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.863 8.497 4.433 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.182 8.975 4.769 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.919 11.353 6.591 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.664 10.156 6.992 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.002 10.456 8.126 1.00 0.59 H new ATOM 1230 N GLU B 30 156.407 5.453 9.111 1.00 0.43 N ATOM 1231 CA GLU B 30 156.465 4.964 10.485 1.00 0.45 C ATOM 1232 C GLU B 30 157.917 4.869 10.963 1.00 0.44 C ATOM 1233 O GLU B 30 158.194 4.999 12.157 1.00 0.58 O ATOM 1234 CB GLU B 30 155.774 3.604 10.603 1.00 0.51 C ATOM 1235 CG GLU B 30 154.530 3.635 11.475 1.00 0.58 C ATOM 1236 CD GLU B 30 154.852 3.540 12.955 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.339 4.541 13.523 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.618 2.464 13.544 1.00 1.26 O ATOM 0 H GLU B 30 156.204 4.733 8.418 1.00 0.43 H new ATOM 0 HA GLU B 30 155.938 5.674 11.122 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.502 3.255 9.607 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.479 2.881 11.013 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.981 4.557 11.285 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.875 2.810 11.196 1.00 0.58 H new ATOM 1245 N ASP B 31 158.841 4.670 10.016 1.00 0.41 N ATOM 1246 CA ASP B 31 160.267 4.590 10.326 1.00 0.55 C ATOM 1247 C ASP B 31 160.862 5.992 10.493 1.00 0.57 C ATOM 1248 O ASP B 31 161.888 6.165 11.152 1.00 0.76 O ATOM 1249 CB ASP B 31 161.007 3.832 9.219 1.00 0.69 C ATOM 1250 CG ASP B 31 161.259 2.381 9.583 1.00 1.28 C ATOM 1251 OD1 ASP B 31 160.360 1.547 9.346 1.00 1.74 O ATOM 1252 OD2 ASP B 31 162.353 2.080 10.104 1.00 1.66 O ATOM 0 H ASP B 31 158.622 4.561 9.026 1.00 0.41 H new ATOM 0 HA ASP B 31 160.386 4.050 11.265 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.424 3.877 8.299 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.959 4.324 9.018 1.00 0.69 H new ATOM 1257 N TYR B 32 160.186 6.992 9.913 1.00 0.49 N ATOM 1258 CA TYR B 32 160.622 8.383 10.015 1.00 0.56 C ATOM 1259 C TYR B 32 160.351 8.919 11.422 1.00 0.56 C ATOM 1260 O TYR B 32 161.124 9.722 11.948 1.00 0.67 O ATOM 1261 CB TYR B 32 159.913 9.248 8.970 1.00 0.60 C ATOM 1262 CG TYR B 32 160.650 9.323 7.650 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.823 10.057 7.528 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.174 8.656 6.527 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.500 10.126 6.325 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.846 8.720 5.321 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.008 9.456 5.226 1.00 1.21 C ATOM 1268 OH TYR B 32 162.680 9.521 4.027 1.00 1.53 O ATOM 0 H TYR B 32 159.334 6.859 9.368 1.00 0.49 H new ATOM 0 HA TYR B 32 161.694 8.425 9.824 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.913 8.849 8.797 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.790 10.256 9.367 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.212 10.582 8.387 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.264 8.078 6.598 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.410 10.702 6.247 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.463 8.196 4.458 1.00 1.17 H new ATOM 0 HH TYR B 32 162.201 8.993 3.355 1.00 1.53 H new ATOM 1278 N ILE B 33 159.262 8.443 12.034 1.00 0.54 N ATOM 1279 CA ILE B 33 158.899 8.847 13.395 1.00 0.64 C ATOM 1280 C ILE B 33 159.655 8.006 14.429 1.00 0.58 C ATOM 1281 O ILE B 33 159.721 8.370 15.605 1.00 0.78 O ATOM 1282 CB ILE B 33 157.378 8.718 13.677 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.566 8.666 12.376 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.907 9.872 14.552 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.075 8.508 12.594 1.00 0.87 C ATOM 0 H ILE B 33 158.617 7.778 11.608 1.00 0.54 H new ATOM 0 HA ILE B 33 159.175 9.898 13.479 1.00 0.64 H new ATOM 0 HB ILE B 33 157.214 7.779 14.206 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.746 9.579 11.809 1.00 0.84 H new ATOM 0 HG13 ILE B 33 156.925 7.836 11.767 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.839 9.771 14.743 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.448 9.856 15.498 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.097 10.816 14.042 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.567 8.479 11.630 1.00 0.87 H new ATOM 0 HD12 ILE B 33 154.882 7.581 13.133 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.701 9.350 13.176 1.00 0.87 H new ATOM 1297 N ASP B 34 160.236 6.886 13.978 1.00 0.46 N ATOM 1298 CA ASP B 34 160.996 6.001 14.856 1.00 0.50 C ATOM 1299 C ASP B 34 162.226 6.713 15.415 1.00 0.40 C ATOM 1300 O ASP B 34 162.549 6.562 16.586 1.00 0.45 O ATOM 1301 CB ASP B 34 161.422 4.734 14.107 1.00 0.69 C ATOM 1302 CG ASP B 34 160.721 3.492 14.623 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.877 3.175 15.823 1.00 1.34 O ATOM 1304 OD2 ASP B 34 160.016 2.835 13.828 1.00 1.46 O ATOM 0 H ASP B 34 160.191 6.575 13.007 1.00 0.46 H new ATOM 0 HA ASP B 34 160.350 5.719 15.687 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.207 4.854 13.045 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.500 4.605 14.202 1.00 0.69 H new ATOM 1309 N ASN B 35 162.901 7.492 14.565 1.00 0.52 N ATOM 1310 CA ASN B 35 164.096 8.240 14.968 1.00 0.58 C ATOM 1311 C ASN B 35 163.898 8.904 16.332 1.00 0.49 C ATOM 1312 O ASN B 35 164.814 8.926 17.156 1.00 0.61 O ATOM 1313 CB ASN B 35 164.443 9.300 13.917 1.00 0.78 C ATOM 1314 CG ASN B 35 164.993 8.692 12.639 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.182 8.387 12.546 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.129 8.513 11.644 1.00 1.31 N ATOM 0 H ASN B 35 162.638 7.622 13.588 1.00 0.52 H new ATOM 0 HA ASN B 35 164.921 7.532 15.047 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.551 9.882 13.684 1.00 0.78 H new ATOM 0 HB3 ASN B 35 165.176 9.992 14.331 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.444 8.109 10.762 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.152 8.780 11.763 1.00 1.31 H new ATOM 1323 N LEU B 36 162.690 9.423 16.570 1.00 0.44 N ATOM 1324 CA LEU B 36 162.364 10.065 17.842 1.00 0.51 C ATOM 1325 C LEU B 36 162.392 9.039 18.975 1.00 0.47 C ATOM 1326 O LEU B 36 163.005 9.270 20.018 1.00 0.59 O ATOM 1327 CB LEU B 36 160.983 10.734 17.775 1.00 0.71 C ATOM 1328 CG LEU B 36 160.714 11.569 16.518 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.263 12.024 16.483 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.652 12.766 16.458 1.00 1.64 C ATOM 0 H LEU B 36 161.923 9.410 15.897 1.00 0.44 H new ATOM 0 HA LEU B 36 163.112 10.833 18.039 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.220 9.959 17.845 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.867 11.376 18.648 1.00 0.71 H new ATOM 0 HG LEU B 36 160.901 10.945 15.644 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.089 12.616 15.584 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.608 11.152 16.476 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.051 12.630 17.363 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.445 13.346 15.558 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.499 13.393 17.337 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.685 12.418 16.436 1.00 1.64 H new ATOM 1342 N LEU B 37 161.730 7.900 18.752 1.00 0.41 N ATOM 1343 CA LEU B 37 161.681 6.822 19.738 1.00 0.48 C ATOM 1344 C LEU B 37 162.277 5.530 19.165 1.00 0.41 C ATOM 1345 O LEU B 37 161.588 4.514 19.048 1.00 0.54 O ATOM 1346 CB LEU B 37 160.235 6.585 20.196 1.00 0.65 C ATOM 1347 CG LEU B 37 159.220 6.350 19.071 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.290 5.197 19.421 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.423 7.619 18.797 1.00 0.69 C ATOM 0 H LEU B 37 161.219 7.702 17.892 1.00 0.41 H new ATOM 0 HA LEU B 37 162.278 7.120 20.600 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.219 5.723 20.863 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.911 7.446 20.781 1.00 0.65 H new ATOM 0 HG LEU B 37 159.766 6.086 18.165 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.577 5.046 18.611 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.875 4.288 19.564 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.751 5.430 20.339 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.708 7.434 17.996 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.888 7.915 19.700 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.102 8.418 18.499 1.00 0.69 H new ATOM 1361 N VAL B 38 163.561 5.579 18.801 1.00 0.36 N ATOM 1362 CA VAL B 38 164.246 4.416 18.228 1.00 0.49 C ATOM 1363 C VAL B 38 163.996 3.167 19.076 1.00 0.67 C ATOM 1364 O VAL B 38 163.734 3.270 20.274 1.00 1.35 O ATOM 1365 CB VAL B 38 165.768 4.665 18.102 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.476 3.449 17.517 1.00 1.31 C ATOM 1367 CG2 VAL B 38 166.040 5.900 17.253 1.00 0.89 C ATOM 0 H VAL B 38 164.147 6.409 18.892 1.00 0.36 H new ATOM 0 HA VAL B 38 163.838 4.257 17.230 1.00 0.49 H new ATOM 0 HB VAL B 38 166.164 4.837 19.103 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.544 3.652 17.440 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.316 2.588 18.166 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.075 3.236 16.526 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.116 6.059 17.176 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.622 5.756 16.257 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.577 6.770 17.718 1.00 0.89 H new ATOM 1377 N ARG B 39 164.047 1.997 18.429 1.00 0.54 N ATOM 1378 CA ARG B 39 163.795 0.709 19.089 1.00 0.62 C ATOM 1379 C ARG B 39 164.600 0.545 20.383 1.00 0.51 C ATOM 1380 O ARG B 39 165.672 -0.065 20.393 1.00 0.63 O ATOM 1381 CB ARG B 39 164.103 -0.444 18.128 1.00 0.93 C ATOM 1382 CG ARG B 39 163.150 -0.519 16.943 1.00 1.15 C ATOM 1383 CD ARG B 39 163.772 -1.257 15.767 1.00 1.41 C ATOM 1384 NE ARG B 39 163.597 -2.707 15.874 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.597 -3.585 16.024 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.863 -3.177 16.088 1.00 2.06 N ATOM 1387 NH2 ARG B 39 164.325 -4.883 16.111 1.00 2.18 N ATOM 0 H ARG B 39 164.263 1.915 17.436 1.00 0.54 H new ATOM 0 HA ARG B 39 162.740 0.689 19.362 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.122 -0.335 17.758 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.062 -1.385 18.677 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.232 -1.024 17.245 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.873 0.489 16.635 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.321 -0.905 14.839 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.835 -1.023 15.714 1.00 1.41 H new ATOM 0 HE ARG B 39 162.646 -3.074 15.831 1.00 1.58 H new ATOM 0 HH11 ARG B 39 166.082 -2.183 16.023 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.613 -3.858 16.202 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.359 -5.206 16.063 1.00 2.18 H new ATOM 0 HH22 ARG B 39 165.083 -5.556 16.225 1.00 2.18 H new ATOM 1401 N VAL B 40 164.055 1.091 21.473 1.00 0.43 N ATOM 1402 CA VAL B 40 164.682 1.019 22.791 1.00 0.56 C ATOM 1403 C VAL B 40 163.613 1.113 23.884 1.00 0.71 C ATOM 1404 O VAL B 40 163.504 2.125 24.581 1.00 1.15 O ATOM 1405 CB VAL B 40 165.730 2.143 22.995 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.378 2.034 24.370 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.790 2.107 21.903 1.00 0.65 C ATOM 0 H VAL B 40 163.168 1.594 21.465 1.00 0.43 H new ATOM 0 HA VAL B 40 165.199 0.061 22.856 1.00 0.56 H new ATOM 0 HB VAL B 40 165.211 3.099 22.933 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.110 2.832 24.492 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.613 2.123 25.141 1.00 1.04 H new ATOM 0 HG13 VAL B 40 166.876 1.069 24.462 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.512 2.906 22.071 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.302 1.145 21.924 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.316 2.244 20.931 1.00 0.65 H new ATOM 1417 N MET B 41 162.815 0.053 24.016 1.00 0.60 N ATOM 1418 CA MET B 41 161.745 0.012 25.011 1.00 0.74 C ATOM 1419 C MET B 41 161.979 -1.111 26.021 1.00 0.91 C ATOM 1420 O MET B 41 162.147 -2.273 25.591 1.00 0.91 O ATOM 1421 CB MET B 41 160.381 -0.172 24.330 1.00 0.73 C ATOM 1422 CG MET B 41 160.204 0.655 23.064 1.00 0.74 C ATOM 1423 SD MET B 41 160.506 -0.300 21.564 1.00 0.86 S ATOM 1424 CE MET B 41 159.640 0.691 20.347 1.00 0.70 C ATOM 1425 OXT MET B 41 161.993 -0.818 27.235 1.00 1.13 O ATOM 0 H MET B 41 162.890 -0.789 23.445 1.00 0.60 H new ATOM 0 HA MET B 41 161.749 0.963 25.544 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.248 -1.226 24.085 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.595 0.092 25.037 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.192 1.058 23.036 1.00 0.74 H new ATOM 0 HG3 MET B 41 160.885 1.506 23.092 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.736 0.227 19.365 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.586 0.757 20.615 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.071 1.692 20.319 1.00 0.70 H new