USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-0.074) 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= 0.0258 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.111 X(o=0.11,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 K(o=0,f=-0.88) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.044) 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= 0.0217 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : B 41 MET CE :methyl 162:sc= -0.0751 (180deg=-0.555) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.327 -18.566 -19.494 1.00 0.77 N ATOM 2 CA GLY A 1 130.950 -18.306 -18.982 1.00 0.81 C ATOM 3 C GLY A 1 130.846 -17.001 -18.215 1.00 0.65 C ATOM 4 O GLY A 1 130.690 -15.934 -18.813 1.00 0.70 O ATOM 0 H1 GLY A 1 132.341 -19.469 -20.009 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.610 -17.797 -20.135 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.991 -18.613 -18.695 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.253 -18.286 -19.820 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.647 -19.128 -18.334 1.00 0.81 H new ATOM 10 N SER A 2 130.932 -17.089 -16.887 1.00 0.55 N ATOM 11 CA SER A 2 130.848 -15.908 -16.026 1.00 0.48 C ATOM 12 C SER A 2 132.217 -15.259 -15.820 1.00 0.47 C ATOM 13 O SER A 2 132.296 -14.134 -15.324 1.00 0.71 O ATOM 14 CB SER A 2 130.232 -16.281 -14.672 1.00 0.54 C ATOM 15 OG SER A 2 128.876 -16.669 -14.815 1.00 0.67 O ATOM 0 H SER A 2 131.060 -17.967 -16.384 1.00 0.55 H new ATOM 0 HA SER A 2 130.207 -15.181 -16.525 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.801 -17.095 -14.223 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.300 -15.432 -13.992 1.00 0.54 H new ATOM 0 HG SER A 2 128.508 -16.903 -13.937 1.00 0.67 H new ATOM 21 N LEU A 3 133.292 -15.951 -16.218 1.00 0.38 N ATOM 22 CA LEU A 3 134.643 -15.405 -16.089 1.00 0.43 C ATOM 23 C LEU A 3 134.889 -14.390 -17.204 1.00 0.53 C ATOM 24 O LEU A 3 135.748 -14.586 -18.068 1.00 0.88 O ATOM 25 CB LEU A 3 135.693 -16.522 -16.149 1.00 0.48 C ATOM 26 CG LEU A 3 135.319 -17.824 -15.433 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.353 -18.902 -15.721 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.184 -17.590 -13.932 1.00 1.42 C ATOM 0 H LEU A 3 133.250 -16.884 -16.629 1.00 0.38 H new ATOM 0 HA LEU A 3 134.731 -14.912 -15.121 1.00 0.43 H new ATOM 0 HB2 LEU A 3 135.895 -16.750 -17.196 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.622 -16.146 -15.719 1.00 0.48 H new ATOM 0 HG LEU A 3 134.355 -18.164 -15.811 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.074 -19.821 -15.206 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.397 -19.087 -16.794 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.331 -18.572 -15.370 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.918 -18.526 -13.440 1.00 1.42 H new ATOM 0 HD22 LEU A 3 136.132 -17.227 -13.534 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.406 -16.849 -13.748 1.00 1.42 H new ATOM 40 N THR A 4 134.103 -13.316 -17.190 1.00 0.41 N ATOM 41 CA THR A 4 134.190 -12.272 -18.205 1.00 0.49 C ATOM 42 C THR A 4 133.827 -10.910 -17.609 1.00 0.39 C ATOM 43 O THR A 4 133.935 -10.708 -16.402 1.00 0.39 O ATOM 44 CB THR A 4 133.269 -12.617 -19.386 1.00 0.65 C ATOM 45 OG1 THR A 4 131.927 -12.777 -18.951 1.00 0.64 O ATOM 46 CG2 THR A 4 133.672 -13.887 -20.111 1.00 0.80 C ATOM 0 H THR A 4 133.392 -13.146 -16.479 1.00 0.41 H new ATOM 0 HA THR A 4 135.216 -12.214 -18.568 1.00 0.49 H new ATOM 0 HB THR A 4 133.362 -11.778 -20.076 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.358 -12.995 -19.719 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.980 -14.072 -20.933 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.682 -13.776 -20.505 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.643 -14.727 -19.417 1.00 0.80 H new ATOM 54 N TYR A 5 133.444 -9.970 -18.471 1.00 0.48 N ATOM 55 CA TYR A 5 133.099 -8.604 -18.060 1.00 0.46 C ATOM 56 C TYR A 5 132.195 -8.541 -16.824 1.00 0.42 C ATOM 57 O TYR A 5 132.343 -7.633 -16.004 1.00 0.47 O ATOM 58 CB TYR A 5 132.425 -7.869 -19.220 1.00 0.59 C ATOM 59 CG TYR A 5 132.130 -6.411 -18.934 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.095 -5.576 -18.382 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.881 -5.871 -19.216 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.824 -4.246 -18.121 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.603 -4.544 -18.957 1.00 0.90 C ATOM 64 CZ TYR A 5 131.577 -3.736 -18.410 1.00 0.65 C ATOM 65 OH TYR A 5 131.303 -2.412 -18.153 1.00 0.79 O ATOM 0 H TYR A 5 133.363 -10.131 -19.475 1.00 0.48 H new ATOM 0 HA TYR A 5 134.037 -8.121 -17.786 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.065 -7.934 -20.100 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.492 -8.377 -19.466 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.073 -5.973 -18.153 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.115 -6.500 -19.645 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.585 -3.610 -17.693 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.627 -4.140 -19.182 1.00 0.90 H new ATOM 0 HH TYR A 5 130.380 -2.212 -18.415 1.00 0.79 H new ATOM 75 N GLU A 6 131.259 -9.485 -16.677 1.00 0.48 N ATOM 76 CA GLU A 6 130.356 -9.485 -15.523 1.00 0.50 C ATOM 77 C GLU A 6 131.075 -9.903 -14.237 1.00 0.38 C ATOM 78 O GLU A 6 130.574 -9.664 -13.137 1.00 0.47 O ATOM 79 CB GLU A 6 129.178 -10.429 -15.779 1.00 0.60 C ATOM 80 CG GLU A 6 127.931 -9.726 -16.292 1.00 0.65 C ATOM 81 CD GLU A 6 126.791 -10.689 -16.561 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.017 -10.970 -15.622 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.674 -11.165 -17.710 1.00 1.16 O ATOM 0 H GLU A 6 131.108 -10.250 -17.335 1.00 0.48 H new ATOM 0 HA GLU A 6 129.993 -8.466 -15.391 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.481 -11.186 -16.502 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.935 -10.952 -14.854 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.610 -8.983 -15.562 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.172 -9.188 -17.209 1.00 0.65 H new ATOM 90 N GLU A 7 132.249 -10.519 -14.380 1.00 0.30 N ATOM 91 CA GLU A 7 133.032 -10.961 -13.229 1.00 0.29 C ATOM 92 C GLU A 7 133.810 -9.797 -12.626 1.00 0.28 C ATOM 93 O GLU A 7 133.856 -9.636 -11.405 1.00 0.46 O ATOM 94 CB GLU A 7 133.999 -12.078 -13.634 1.00 0.40 C ATOM 95 CG GLU A 7 134.252 -13.092 -12.531 1.00 0.56 C ATOM 96 CD GLU A 7 135.533 -12.813 -11.768 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.481 -12.054 -10.777 1.00 0.81 O ATOM 98 OE2 GLU A 7 136.588 -13.353 -12.162 1.00 1.01 O ATOM 0 H GLU A 7 132.678 -10.723 -15.283 1.00 0.30 H new ATOM 0 HA GLU A 7 132.341 -11.346 -12.479 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.599 -12.595 -14.507 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.949 -11.634 -13.933 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.411 -13.087 -11.837 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.301 -14.091 -12.965 1.00 0.56 H new ATOM 105 N VAL A 8 134.415 -8.983 -13.491 1.00 0.34 N ATOM 106 CA VAL A 8 135.189 -7.826 -13.056 1.00 0.36 C ATOM 107 C VAL A 8 134.278 -6.707 -12.543 1.00 0.28 C ATOM 108 O VAL A 8 134.633 -5.999 -11.600 1.00 0.39 O ATOM 109 CB VAL A 8 136.078 -7.290 -14.201 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.234 -6.669 -15.306 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.099 -6.295 -13.672 1.00 0.77 C ATOM 0 H VAL A 8 134.382 -9.107 -14.503 1.00 0.34 H new ATOM 0 HA VAL A 8 135.829 -8.156 -12.238 1.00 0.36 H new ATOM 0 HB VAL A 8 136.618 -8.134 -14.629 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.886 -6.300 -16.098 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.557 -7.420 -15.713 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.654 -5.841 -14.899 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.713 -5.931 -14.496 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.582 -5.456 -13.207 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.735 -6.784 -12.934 1.00 0.77 H new ATOM 121 N LEU A 9 133.106 -6.553 -13.170 1.00 0.36 N ATOM 122 CA LEU A 9 132.146 -5.522 -12.774 1.00 0.49 C ATOM 123 C LEU A 9 131.837 -5.613 -11.280 1.00 0.53 C ATOM 124 O LEU A 9 131.986 -4.631 -10.549 1.00 0.73 O ATOM 125 CB LEU A 9 130.851 -5.654 -13.585 1.00 0.66 C ATOM 126 CG LEU A 9 130.761 -4.756 -14.824 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.531 -5.106 -15.650 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.734 -3.289 -14.419 1.00 0.72 C ATOM 0 H LEU A 9 132.802 -7.131 -13.954 1.00 0.36 H new ATOM 0 HA LEU A 9 132.593 -4.549 -12.978 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.743 -6.692 -13.900 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.008 -5.430 -12.932 1.00 0.66 H new ATOM 0 HG LEU A 9 131.646 -4.927 -15.437 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.484 -4.458 -16.525 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.592 -6.146 -15.971 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.635 -4.965 -15.046 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.670 -2.666 -15.311 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.868 -3.103 -13.784 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.645 -3.046 -13.872 1.00 0.72 H new ATOM 140 N GLN A 10 131.411 -6.797 -10.830 1.00 0.42 N ATOM 141 CA GLN A 10 131.086 -7.023 -9.419 1.00 0.49 C ATOM 142 C GLN A 10 132.331 -6.924 -8.532 1.00 0.43 C ATOM 143 O GLN A 10 132.224 -6.675 -7.329 1.00 0.50 O ATOM 144 CB GLN A 10 130.439 -8.398 -9.240 1.00 0.60 C ATOM 145 CG GLN A 10 128.921 -8.363 -9.273 1.00 0.69 C ATOM 146 CD GLN A 10 128.320 -7.982 -7.933 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.349 -6.816 -7.537 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.774 -8.965 -7.223 1.00 0.84 N ATOM 0 H GLN A 10 131.283 -7.616 -11.425 1.00 0.42 H new ATOM 0 HA GLN A 10 130.386 -6.245 -9.114 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.796 -9.064 -10.026 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.764 -8.823 -8.290 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.593 -7.651 -10.030 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.545 -9.341 -9.572 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.771 -9.917 -7.588 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.358 -8.767 -6.313 1.00 0.84 H new ATOM 157 N GLU A 11 133.508 -7.099 -9.136 1.00 0.41 N ATOM 158 CA GLU A 11 134.772 -7.008 -8.412 1.00 0.44 C ATOM 159 C GLU A 11 135.178 -5.543 -8.230 1.00 0.40 C ATOM 160 O GLU A 11 135.901 -5.201 -7.295 1.00 0.56 O ATOM 161 CB GLU A 11 135.867 -7.766 -9.167 1.00 0.52 C ATOM 162 CG GLU A 11 136.847 -8.488 -8.260 1.00 0.63 C ATOM 163 CD GLU A 11 137.977 -9.140 -9.033 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.768 -10.251 -9.566 1.00 1.64 O ATOM 165 OE2 GLU A 11 139.069 -8.540 -9.107 1.00 1.54 O ATOM 0 H GLU A 11 133.609 -7.305 -10.130 1.00 0.41 H new ATOM 0 HA GLU A 11 134.643 -7.459 -7.428 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.401 -8.491 -9.834 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.416 -7.064 -9.794 1.00 0.52 H new ATOM 0 HG2 GLU A 11 137.262 -7.781 -7.542 1.00 0.63 H new ATOM 0 HG3 GLU A 11 136.316 -9.248 -7.688 1.00 0.63 H new ATOM 172 N LEU A 12 134.690 -4.685 -9.129 1.00 0.34 N ATOM 173 CA LEU A 12 134.979 -3.257 -9.077 1.00 0.34 C ATOM 174 C LEU A 12 134.216 -2.607 -7.929 1.00 0.31 C ATOM 175 O LEU A 12 134.815 -1.976 -7.054 1.00 0.39 O ATOM 176 CB LEU A 12 134.606 -2.587 -10.405 1.00 0.36 C ATOM 177 CG LEU A 12 135.304 -1.252 -10.685 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.822 -0.180 -9.716 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.816 -1.410 -10.600 1.00 0.59 C ATOM 0 H LEU A 12 134.089 -4.961 -9.906 1.00 0.34 H new ATOM 0 HA LEU A 12 136.048 -3.125 -8.909 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.837 -3.276 -11.218 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.528 -2.425 -10.421 1.00 0.36 H new ATOM 0 HG LEU A 12 135.048 -0.938 -11.697 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.330 0.760 -9.932 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.746 -0.045 -9.828 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.045 -0.487 -8.694 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.294 -0.451 -10.802 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.091 -1.749 -9.601 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.147 -2.143 -11.336 1.00 0.59 H new ATOM 191 N VAL A 13 132.890 -2.761 -7.946 1.00 0.26 N ATOM 192 CA VAL A 13 132.036 -2.190 -6.910 1.00 0.26 C ATOM 193 C VAL A 13 132.520 -2.593 -5.514 1.00 0.22 C ATOM 194 O VAL A 13 132.735 -1.731 -4.664 1.00 0.24 O ATOM 195 CB VAL A 13 130.550 -2.591 -7.098 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.385 -4.103 -7.206 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.693 -2.029 -5.971 1.00 0.53 C ATOM 0 H VAL A 13 132.387 -3.277 -8.668 1.00 0.26 H new ATOM 0 HA VAL A 13 132.104 -1.106 -7.005 1.00 0.26 H new ATOM 0 HB VAL A 13 130.208 -2.158 -8.038 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.330 -4.345 -7.337 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.951 -4.471 -8.062 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.756 -4.575 -6.296 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.654 -2.322 -6.123 1.00 0.53 H new ATOM 0 HG22 VAL A 13 130.045 -2.420 -5.016 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.766 -0.941 -5.966 1.00 0.53 H new ATOM 207 N LYS A 14 132.674 -3.901 -5.279 1.00 0.24 N ATOM 208 CA LYS A 14 133.123 -4.416 -3.983 1.00 0.23 C ATOM 209 C LYS A 14 134.346 -3.665 -3.453 1.00 0.21 C ATOM 210 O LYS A 14 134.438 -3.399 -2.255 1.00 0.28 O ATOM 211 CB LYS A 14 133.447 -5.910 -4.096 1.00 0.30 C ATOM 212 CG LYS A 14 132.220 -6.805 -4.049 1.00 0.84 C ATOM 213 CD LYS A 14 132.597 -8.273 -4.166 1.00 0.68 C ATOM 214 CE LYS A 14 132.919 -8.877 -2.807 1.00 0.73 C ATOM 215 NZ LYS A 14 133.055 -10.359 -2.874 1.00 0.75 N ATOM 0 H LYS A 14 132.493 -4.625 -5.975 1.00 0.24 H new ATOM 0 HA LYS A 14 132.308 -4.263 -3.275 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.980 -6.088 -5.030 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.121 -6.189 -3.286 1.00 0.30 H new ATOM 0 HG2 LYS A 14 131.683 -6.639 -3.115 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.541 -6.537 -4.859 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.777 -8.825 -4.625 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.459 -8.377 -4.825 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.845 -8.445 -2.428 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.132 -8.617 -2.099 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.274 -10.731 -1.928 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.163 -10.775 -3.211 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.823 -10.608 -3.530 1.00 0.75 H new ATOM 229 N HIS A 15 135.279 -3.319 -4.344 1.00 0.25 N ATOM 230 CA HIS A 15 136.485 -2.593 -3.945 1.00 0.27 C ATOM 231 C HIS A 15 136.137 -1.184 -3.463 1.00 0.23 C ATOM 232 O HIS A 15 136.735 -0.680 -2.511 1.00 0.43 O ATOM 233 CB HIS A 15 137.476 -2.508 -5.113 1.00 0.33 C ATOM 234 CG HIS A 15 138.150 -3.804 -5.445 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.310 -3.873 -6.188 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.822 -5.084 -5.144 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.665 -5.137 -6.332 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.780 -5.891 -5.708 1.00 0.72 N ATOM 0 H HIS A 15 135.222 -3.529 -5.341 1.00 0.25 H new ATOM 0 HA HIS A 15 136.948 -3.141 -3.125 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.948 -2.150 -5.997 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.238 -1.766 -4.874 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.968 -5.409 -4.569 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.532 -5.493 -6.869 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.803 -6.909 -5.653 1.00 0.72 H new ATOM 247 N LYS A 16 135.166 -0.557 -4.128 1.00 0.21 N ATOM 248 CA LYS A 16 134.730 0.792 -3.776 1.00 0.25 C ATOM 249 C LYS A 16 133.913 0.791 -2.484 1.00 0.32 C ATOM 250 O LYS A 16 134.086 1.668 -1.635 1.00 0.62 O ATOM 251 CB LYS A 16 133.905 1.400 -4.916 1.00 0.37 C ATOM 252 CG LYS A 16 134.707 1.636 -6.187 1.00 0.50 C ATOM 253 CD LYS A 16 133.819 2.101 -7.331 1.00 0.57 C ATOM 254 CE LYS A 16 133.396 3.553 -7.160 1.00 0.59 C ATOM 255 NZ LYS A 16 131.943 3.680 -6.855 1.00 0.66 N ATOM 0 H LYS A 16 134.665 -0.966 -4.917 1.00 0.21 H new ATOM 0 HA LYS A 16 135.621 1.399 -3.616 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.069 0.738 -5.141 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.481 2.347 -4.582 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.478 2.382 -5.998 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.217 0.716 -6.472 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.351 1.986 -8.275 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.933 1.468 -7.385 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.976 4.007 -6.357 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.625 4.107 -8.071 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.698 4.685 -6.746 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.388 3.270 -7.633 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.728 3.174 -5.972 1.00 0.66 H new ATOM 269 N GLU A 17 133.021 -0.194 -2.340 1.00 0.32 N ATOM 270 CA GLU A 17 132.175 -0.305 -1.151 1.00 0.39 C ATOM 271 C GLU A 17 132.987 -0.712 0.079 1.00 0.32 C ATOM 272 O GLU A 17 132.677 -0.293 1.196 1.00 0.40 O ATOM 273 CB GLU A 17 131.053 -1.316 -1.397 1.00 0.51 C ATOM 274 CG GLU A 17 129.821 -1.075 -0.540 1.00 0.80 C ATOM 275 CD GLU A 17 129.245 -2.357 0.031 1.00 1.08 C ATOM 276 OE1 GLU A 17 129.692 -2.775 1.120 1.00 1.47 O ATOM 277 OE2 GLU A 17 128.346 -2.942 -0.610 1.00 1.43 O ATOM 0 H GLU A 17 132.867 -0.926 -3.034 1.00 0.32 H new ATOM 0 HA GLU A 17 131.742 0.676 -0.956 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.767 -1.281 -2.448 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.430 -2.320 -1.203 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.078 -0.401 0.277 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.060 -0.574 -1.138 1.00 0.80 H new ATOM 284 N LEU A 18 134.034 -1.516 -0.130 1.00 0.32 N ATOM 285 CA LEU A 18 134.893 -1.957 0.970 1.00 0.34 C ATOM 286 C LEU A 18 135.648 -0.769 1.561 1.00 0.33 C ATOM 287 O LEU A 18 135.850 -0.692 2.775 1.00 0.66 O ATOM 288 CB LEU A 18 135.888 -3.018 0.490 1.00 0.53 C ATOM 289 CG LEU A 18 135.389 -4.463 0.572 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.289 -5.385 -0.239 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.315 -4.923 2.022 1.00 0.79 C ATOM 0 H LEU A 18 134.305 -1.873 -1.046 1.00 0.32 H new ATOM 0 HA LEU A 18 134.260 -2.397 1.740 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.156 -2.801 -0.544 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.800 -2.931 1.080 1.00 0.53 H new ATOM 0 HG LEU A 18 134.385 -4.505 0.149 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.919 -6.408 -0.169 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.288 -5.069 -1.282 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.305 -5.339 0.153 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.958 -5.952 2.059 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.306 -4.866 2.473 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.628 -4.281 2.573 1.00 0.79 H new ATOM 303 N LEU A 19 136.045 0.161 0.690 1.00 0.43 N ATOM 304 CA LEU A 19 136.762 1.362 1.113 1.00 0.44 C ATOM 305 C LEU A 19 135.889 2.212 2.037 1.00 0.30 C ATOM 306 O LEU A 19 136.394 2.862 2.954 1.00 0.45 O ATOM 307 CB LEU A 19 137.187 2.188 -0.103 1.00 0.57 C ATOM 308 CG LEU A 19 138.390 1.638 -0.873 1.00 0.76 C ATOM 309 CD1 LEU A 19 138.326 2.060 -2.334 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.691 2.103 -0.233 1.00 0.94 C ATOM 0 H LEU A 19 135.881 0.103 -0.315 1.00 0.43 H new ATOM 0 HA LEU A 19 137.653 1.051 1.658 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.341 2.262 -0.786 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.419 3.200 0.228 1.00 0.57 H new ATOM 0 HG LEU A 19 138.359 0.549 -0.831 1.00 0.76 H new ATOM 0 HD11 LEU A 19 139.189 1.660 -2.866 1.00 0.88 H new ATOM 0 HD12 LEU A 19 137.411 1.674 -2.784 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.332 3.148 -2.399 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.536 1.702 -0.794 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.732 3.192 -0.243 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.737 1.748 0.796 1.00 0.94 H new ATOM 322 N ARG A 20 134.574 2.198 1.787 1.00 0.32 N ATOM 323 CA ARG A 20 133.629 2.962 2.596 1.00 0.50 C ATOM 324 C ARG A 20 133.628 2.458 4.034 1.00 0.40 C ATOM 325 O ARG A 20 133.933 3.220 4.951 1.00 0.47 O ATOM 326 CB ARG A 20 132.213 2.884 2.006 1.00 0.78 C ATOM 327 CG ARG A 20 132.145 3.144 0.505 1.00 0.89 C ATOM 328 CD ARG A 20 132.818 4.455 0.123 1.00 0.98 C ATOM 329 NE ARG A 20 131.870 5.569 0.074 1.00 1.06 N ATOM 330 CZ ARG A 20 131.087 5.843 -0.975 1.00 1.17 C ATOM 331 NH1 ARG A 20 131.110 5.072 -2.060 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.272 6.893 -0.933 1.00 1.60 N ATOM 0 H ARG A 20 134.145 1.665 1.031 1.00 0.32 H new ATOM 0 HA ARG A 20 133.946 4.005 2.590 1.00 0.50 H new ATOM 0 HB2 ARG A 20 131.800 1.896 2.211 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.578 3.607 2.518 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.624 2.322 -0.027 1.00 0.89 H new ATOM 0 HG3 ARG A 20 131.102 3.165 0.187 1.00 0.89 H new ATOM 0 HD2 ARG A 20 133.605 4.681 0.843 1.00 0.98 H new ATOM 0 HD3 ARG A 20 133.298 4.345 -0.850 1.00 0.98 H new ATOM 0 HE ARG A 20 131.802 6.175 0.892 1.00 1.06 H new ATOM 0 HH11 ARG A 20 131.729 4.262 -2.097 1.00 1.74 H new ATOM 0 HH12 ARG A 20 130.508 5.291 -2.854 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.246 7.485 -0.103 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.673 7.106 -1.731 1.00 1.60 H new ATOM 346 N ARG A 21 133.280 1.180 4.238 1.00 0.36 N ATOM 347 CA ARG A 21 133.242 0.597 5.582 1.00 0.37 C ATOM 348 C ARG A 21 134.506 0.922 6.374 1.00 0.35 C ATOM 349 O ARG A 21 134.422 1.273 7.550 1.00 0.49 O ATOM 350 CB ARG A 21 133.057 -0.921 5.499 1.00 0.47 C ATOM 351 CG ARG A 21 131.868 -1.430 6.297 1.00 0.71 C ATOM 352 CD ARG A 21 131.479 -2.840 5.880 1.00 0.94 C ATOM 353 NE ARG A 21 130.859 -3.588 6.974 1.00 0.95 N ATOM 354 CZ ARG A 21 130.306 -4.795 6.831 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.304 -5.399 5.645 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.755 -5.402 7.877 1.00 1.50 N ATOM 0 H ARG A 21 133.022 0.534 3.492 1.00 0.36 H new ATOM 0 HA ARG A 21 132.394 1.037 6.106 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.933 -1.208 4.455 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.962 -1.410 5.859 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.110 -1.417 7.360 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.020 -0.760 6.155 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.788 -2.791 5.038 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.365 -3.372 5.534 1.00 0.94 H new ATOM 0 HE ARG A 21 130.849 -3.162 7.901 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.727 -4.940 4.838 1.00 2.03 H new ATOM 0 HH12 ARG A 21 129.880 -6.321 5.543 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.754 -4.946 8.789 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.333 -6.324 7.767 1.00 1.50 H new ATOM 370 N LYS A 22 135.673 0.809 5.727 1.00 0.33 N ATOM 371 CA LYS A 22 136.949 1.105 6.382 1.00 0.41 C ATOM 372 C LYS A 22 136.846 2.400 7.188 1.00 0.34 C ATOM 373 O LYS A 22 137.201 2.441 8.367 1.00 0.36 O ATOM 374 CB LYS A 22 138.071 1.215 5.346 1.00 0.56 C ATOM 375 CG LYS A 22 139.423 0.751 5.863 1.00 0.77 C ATOM 376 CD LYS A 22 140.313 0.262 4.731 1.00 0.95 C ATOM 377 CE LYS A 22 141.720 0.830 4.838 1.00 0.76 C ATOM 378 NZ LYS A 22 142.602 -0.019 5.688 1.00 0.71 N ATOM 0 H LYS A 22 135.758 0.516 4.754 1.00 0.33 H new ATOM 0 HA LYS A 22 137.184 0.287 7.063 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.804 0.625 4.469 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.152 2.252 5.019 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.915 1.571 6.386 1.00 0.77 H new ATOM 0 HG3 LYS A 22 139.281 -0.050 6.588 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.358 -0.827 4.747 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.876 0.549 3.774 1.00 0.95 H new ATOM 0 HE2 LYS A 22 142.152 0.918 3.841 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.674 1.836 5.255 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.551 0.404 5.734 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.204 -0.082 6.647 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.667 -0.972 5.277 1.00 0.71 H new ATOM 392 N ASP A 23 136.338 3.449 6.540 1.00 0.34 N ATOM 393 CA ASP A 23 136.158 4.747 7.181 1.00 0.32 C ATOM 394 C ASP A 23 134.992 4.697 8.172 1.00 0.29 C ATOM 395 O ASP A 23 135.165 4.961 9.360 1.00 0.34 O ATOM 396 CB ASP A 23 135.910 5.820 6.114 1.00 0.37 C ATOM 397 CG ASP A 23 137.184 6.228 5.401 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.854 7.172 5.872 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.514 5.602 4.371 1.00 1.17 O ATOM 0 H ASP A 23 136.043 3.421 5.564 1.00 0.34 H new ATOM 0 HA ASP A 23 137.063 4.999 7.733 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.192 5.445 5.384 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.461 6.697 6.581 1.00 0.37 H new ATOM 404 N THR A 24 133.802 4.367 7.662 1.00 0.27 N ATOM 405 CA THR A 24 132.583 4.284 8.480 1.00 0.28 C ATOM 406 C THR A 24 132.816 3.550 9.807 1.00 0.27 C ATOM 407 O THR A 24 132.229 3.912 10.829 1.00 0.32 O ATOM 408 CB THR A 24 131.466 3.576 7.707 1.00 0.31 C ATOM 409 OG1 THR A 24 131.381 4.060 6.379 1.00 0.52 O ATOM 410 CG2 THR A 24 130.103 3.738 8.349 1.00 0.53 C ATOM 0 H THR A 24 133.654 4.150 6.676 1.00 0.27 H new ATOM 0 HA THR A 24 132.291 5.309 8.707 1.00 0.28 H new ATOM 0 HB THR A 24 131.733 2.519 7.718 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.662 3.592 5.906 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.356 3.214 7.753 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.123 3.320 9.356 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.848 4.797 8.400 1.00 0.53 H new ATOM 418 N HIS A 25 133.658 2.515 9.783 1.00 0.27 N ATOM 419 CA HIS A 25 133.947 1.727 10.981 1.00 0.31 C ATOM 420 C HIS A 25 134.852 2.484 11.949 1.00 0.33 C ATOM 421 O HIS A 25 134.613 2.478 13.157 1.00 0.43 O ATOM 422 CB HIS A 25 134.577 0.386 10.605 1.00 0.37 C ATOM 423 CG HIS A 25 134.098 -0.744 11.457 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.095 -0.695 12.835 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.591 -1.954 11.124 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.608 -1.825 13.313 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.294 -2.605 12.295 1.00 0.75 N ATOM 0 H HIS A 25 134.151 2.204 8.946 1.00 0.27 H new ATOM 0 HA HIS A 25 132.999 1.542 11.487 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.354 0.166 9.561 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.661 0.464 10.690 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.447 -2.336 10.124 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.487 -2.070 14.358 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.895 -3.541 12.367 1.00 0.75 H new ATOM 436 N ILE A 26 135.874 3.154 11.421 1.00 0.31 N ATOM 437 CA ILE A 26 136.776 3.937 12.264 1.00 0.35 C ATOM 438 C ILE A 26 136.068 5.203 12.765 1.00 0.34 C ATOM 439 O ILE A 26 136.513 5.836 13.723 1.00 0.46 O ATOM 440 CB ILE A 26 138.077 4.324 11.521 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.766 5.226 10.322 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.826 3.072 11.075 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.945 6.057 9.865 1.00 0.68 C ATOM 0 H ILE A 26 136.097 3.171 10.426 1.00 0.31 H new ATOM 0 HA ILE A 26 137.052 3.310 13.112 1.00 0.35 H new ATOM 0 HB ILE A 26 138.715 4.881 12.207 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.425 4.607 9.492 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.943 5.891 10.583 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.739 3.360 10.554 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.081 2.470 11.947 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.194 2.489 10.405 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.650 6.670 9.013 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.273 6.702 10.680 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.763 5.398 9.572 1.00 0.68 H new ATOM 455 N ARG A 27 134.947 5.550 12.114 1.00 0.29 N ATOM 456 CA ARG A 27 134.155 6.716 12.489 1.00 0.35 C ATOM 457 C ARG A 27 133.175 6.356 13.607 1.00 0.34 C ATOM 458 O ARG A 27 133.049 7.094 14.588 1.00 0.39 O ATOM 459 CB ARG A 27 133.401 7.256 11.270 1.00 0.44 C ATOM 460 CG ARG A 27 132.642 8.546 11.541 1.00 0.52 C ATOM 461 CD ARG A 27 131.206 8.463 11.047 1.00 0.81 C ATOM 462 NE ARG A 27 130.256 8.971 12.036 1.00 0.91 N ATOM 463 CZ ARG A 27 129.983 10.267 12.216 1.00 0.92 C ATOM 464 NH1 ARG A 27 130.588 11.196 11.480 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.101 10.635 13.139 1.00 1.68 N ATOM 0 H ARG A 27 134.572 5.031 11.320 1.00 0.29 H new ATOM 0 HA ARG A 27 134.826 7.492 12.856 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.111 7.426 10.461 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.699 6.498 10.923 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.648 8.755 12.611 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.149 9.377 11.051 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.107 9.033 10.123 1.00 0.81 H new ATOM 0 HD3 ARG A 27 130.963 7.427 10.810 1.00 0.81 H new ATOM 0 HE ARG A 27 129.771 8.294 12.625 1.00 0.91 H new ATOM 0 HH11 ARG A 27 131.267 10.922 10.770 1.00 1.19 H new ATOM 0 HH12 ARG A 27 130.372 12.182 11.626 1.00 1.19 H new ATOM 0 HH21 ARG A 27 128.634 9.929 13.708 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.891 11.623 13.278 1.00 1.68 H new ATOM 479 N GLU A 28 132.500 5.207 13.467 1.00 0.33 N ATOM 480 CA GLU A 28 131.555 4.744 14.486 1.00 0.38 C ATOM 481 C GLU A 28 132.307 4.415 15.772 1.00 0.37 C ATOM 482 O GLU A 28 131.868 4.777 16.865 1.00 0.47 O ATOM 483 CB GLU A 28 130.746 3.526 13.999 1.00 0.48 C ATOM 484 CG GLU A 28 131.583 2.427 13.357 1.00 0.81 C ATOM 485 CD GLU A 28 131.600 1.143 14.167 1.00 1.22 C ATOM 486 OE1 GLU A 28 132.322 1.091 15.184 1.00 1.85 O ATOM 487 OE2 GLU A 28 130.897 0.186 13.778 1.00 1.66 O ATOM 0 H GLU A 28 132.591 4.586 12.663 1.00 0.33 H new ATOM 0 HA GLU A 28 130.843 5.545 14.682 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.203 3.104 14.845 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.001 3.865 13.279 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.193 2.216 12.361 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.605 2.784 13.231 1.00 0.81 H new ATOM 494 N LEU A 29 133.454 3.743 15.635 1.00 0.34 N ATOM 495 CA LEU A 29 134.277 3.392 16.790 1.00 0.38 C ATOM 496 C LEU A 29 134.908 4.643 17.415 1.00 0.42 C ATOM 497 O LEU A 29 135.379 4.601 18.552 1.00 0.80 O ATOM 498 CB LEU A 29 135.369 2.392 16.396 1.00 0.48 C ATOM 499 CG LEU A 29 135.462 1.154 17.294 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.007 -0.090 16.544 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.882 0.979 17.816 1.00 0.58 C ATOM 0 H LEU A 29 133.830 3.434 14.739 1.00 0.34 H new ATOM 0 HA LEU A 29 133.628 2.926 17.531 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.192 2.067 15.371 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.331 2.904 16.406 1.00 0.48 H new ATOM 0 HG LEU A 29 134.798 1.298 18.147 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.081 -0.958 17.200 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.973 0.036 16.224 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.641 -0.240 15.670 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.930 0.095 18.452 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.566 0.859 16.976 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.168 1.858 18.394 1.00 0.58 H new ATOM 513 N GLU A 30 134.895 5.762 16.677 1.00 0.42 N ATOM 514 CA GLU A 30 135.445 7.021 17.177 1.00 0.46 C ATOM 515 C GLU A 30 134.538 7.607 18.261 1.00 0.46 C ATOM 516 O GLU A 30 135.015 8.230 19.212 1.00 0.61 O ATOM 517 CB GLU A 30 135.623 8.031 16.036 1.00 0.51 C ATOM 518 CG GLU A 30 137.073 8.422 15.792 1.00 0.57 C ATOM 519 CD GLU A 30 137.714 9.073 17.003 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.531 10.295 17.189 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.399 8.360 17.767 1.00 1.33 O ATOM 0 H GLU A 30 134.510 5.817 15.734 1.00 0.42 H new ATOM 0 HA GLU A 30 136.424 6.814 17.610 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.210 7.609 15.120 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.046 8.928 16.262 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.643 7.535 15.517 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.123 9.108 14.946 1.00 0.57 H new ATOM 528 N ASP A 31 133.228 7.373 18.125 1.00 0.43 N ATOM 529 CA ASP A 31 132.246 7.843 19.098 1.00 0.58 C ATOM 530 C ASP A 31 132.169 6.877 20.284 1.00 0.59 C ATOM 531 O ASP A 31 131.766 7.258 21.384 1.00 0.78 O ATOM 532 CB ASP A 31 130.876 7.981 18.430 1.00 0.71 C ATOM 533 CG ASP A 31 130.708 9.321 17.738 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.380 10.310 18.427 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.911 9.382 16.506 1.00 1.73 O ATOM 0 H ASP A 31 132.825 6.857 17.343 1.00 0.43 H new ATOM 0 HA ASP A 31 132.555 8.820 19.470 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.746 7.180 17.703 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.094 7.861 19.180 1.00 0.71 H new ATOM 540 N TYR A 32 132.592 5.631 20.050 1.00 0.51 N ATOM 541 CA TYR A 32 132.609 4.610 21.093 1.00 0.56 C ATOM 542 C TYR A 32 133.708 4.930 22.103 1.00 0.55 C ATOM 543 O TYR A 32 133.506 4.811 23.312 1.00 0.64 O ATOM 544 CB TYR A 32 132.831 3.223 20.483 1.00 0.61 C ATOM 545 CG TYR A 32 131.544 2.502 20.134 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.652 2.110 21.127 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.222 2.213 18.812 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.478 1.451 20.812 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.049 1.554 18.492 1.00 1.19 C ATOM 550 CZ TYR A 32 129.182 1.176 19.494 1.00 1.23 C ATOM 551 OH TYR A 32 128.016 0.518 19.178 1.00 1.55 O ATOM 0 H TYR A 32 132.928 5.308 19.143 1.00 0.51 H new ATOM 0 HA TYR A 32 131.645 4.606 21.603 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.437 3.324 19.583 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.401 2.613 21.184 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.880 2.324 22.161 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.898 2.508 18.023 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.796 1.153 21.595 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.813 1.336 17.461 1.00 1.19 H new ATOM 0 HH TYR A 32 127.958 0.403 18.206 1.00 1.55 H new ATOM 561 N ILE A 33 134.863 5.368 21.592 1.00 0.53 N ATOM 562 CA ILE A 33 135.991 5.745 22.440 1.00 0.62 C ATOM 563 C ILE A 33 135.800 7.163 23.001 1.00 0.58 C ATOM 564 O ILE A 33 136.529 7.585 23.901 1.00 0.77 O ATOM 565 CB ILE A 33 137.331 5.678 21.668 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.502 4.308 20.999 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.502 5.960 22.601 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.364 4.343 19.754 1.00 0.85 C ATOM 0 H ILE A 33 135.038 5.469 20.592 1.00 0.53 H new ATOM 0 HA ILE A 33 136.026 5.030 23.262 1.00 0.62 H new ATOM 0 HB ILE A 33 137.314 6.443 20.891 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.943 3.616 21.716 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.519 3.915 20.739 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.435 5.908 22.040 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.392 6.955 23.032 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.518 5.218 23.400 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.440 3.339 19.336 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.914 5.010 19.018 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.359 4.705 20.011 1.00 0.85 H new ATOM 580 N ASP A 34 134.802 7.890 22.476 1.00 0.49 N ATOM 581 CA ASP A 34 134.509 9.245 22.938 1.00 0.54 C ATOM 582 C ASP A 34 133.984 9.217 24.371 1.00 0.44 C ATOM 583 O ASP A 34 134.315 10.082 25.169 1.00 0.47 O ATOM 584 CB ASP A 34 133.482 9.923 22.019 1.00 0.75 C ATOM 585 CG ASP A 34 134.075 11.080 21.239 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.496 12.072 21.874 1.00 1.49 O ATOM 587 OD2 ASP A 34 134.117 10.997 19.993 1.00 1.42 O ATOM 0 H ASP A 34 134.188 7.558 21.732 1.00 0.49 H new ATOM 0 HA ASP A 34 135.435 9.820 22.910 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.081 9.187 21.322 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.646 10.284 22.618 1.00 0.75 H new ATOM 592 N ASN A 35 133.169 8.205 24.681 1.00 0.53 N ATOM 593 CA ASN A 35 132.590 8.037 26.019 1.00 0.57 C ATOM 594 C ASN A 35 133.614 8.341 27.114 1.00 0.47 C ATOM 595 O ASN A 35 133.276 8.937 28.138 1.00 0.58 O ATOM 596 CB ASN A 35 132.053 6.612 26.192 1.00 0.74 C ATOM 597 CG ASN A 35 130.695 6.418 25.542 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.659 6.663 26.160 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.692 5.973 24.288 1.00 1.32 N ATOM 0 H ASN A 35 132.892 7.482 24.017 1.00 0.53 H new ATOM 0 HA ASN A 35 131.768 8.747 26.115 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.762 5.905 25.761 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.979 6.382 27.255 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.808 5.823 23.802 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.574 5.782 23.812 1.00 1.32 H new ATOM 606 N LEU A 36 134.868 7.943 26.884 1.00 0.42 N ATOM 607 CA LEU A 36 135.943 8.191 27.843 1.00 0.47 C ATOM 608 C LEU A 36 136.239 9.689 27.926 1.00 0.42 C ATOM 609 O LEU A 36 136.317 10.257 29.018 1.00 0.53 O ATOM 610 CB LEU A 36 137.214 7.430 27.442 1.00 0.66 C ATOM 611 CG LEU A 36 137.005 5.975 27.002 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.309 5.379 26.488 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.449 5.141 28.149 1.00 1.66 C ATOM 0 H LEU A 36 135.162 7.448 26.042 1.00 0.42 H new ATOM 0 HA LEU A 36 135.619 7.835 28.821 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.698 7.971 26.629 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.903 7.440 28.286 1.00 0.66 H new ATOM 0 HG LEU A 36 136.279 5.964 26.189 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.141 4.347 26.181 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.663 5.959 25.635 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.058 5.405 27.280 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.308 4.113 27.816 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.149 5.159 28.985 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.492 5.553 28.468 1.00 1.66 H new ATOM 625 N LEU A 37 136.386 10.323 26.759 1.00 0.36 N ATOM 626 CA LEU A 37 136.657 11.757 26.679 1.00 0.40 C ATOM 627 C LEU A 37 135.531 12.483 25.929 1.00 0.32 C ATOM 628 O LEU A 37 135.759 13.106 24.888 1.00 0.42 O ATOM 629 CB LEU A 37 138.009 12.007 25.998 1.00 0.56 C ATOM 630 CG LEU A 37 138.209 11.295 24.655 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.962 12.189 23.680 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.946 9.975 24.852 1.00 0.63 C ATOM 0 H LEU A 37 136.321 9.860 25.852 1.00 0.36 H new ATOM 0 HA LEU A 37 136.700 12.156 27.692 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.126 13.080 25.843 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.802 11.695 26.677 1.00 0.56 H new ATOM 0 HG LEU A 37 137.227 11.080 24.233 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.094 11.665 22.733 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.394 13.104 23.512 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.938 12.439 24.095 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.078 9.485 23.888 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.922 10.166 25.299 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.366 9.329 25.511 1.00 0.63 H new ATOM 644 N VAL A 38 134.313 12.381 26.472 1.00 0.29 N ATOM 645 CA VAL A 38 133.123 13.010 25.887 1.00 0.41 C ATOM 646 C VAL A 38 132.050 13.224 26.965 1.00 0.38 C ATOM 647 O VAL A 38 132.269 12.895 28.133 1.00 0.61 O ATOM 648 CB VAL A 38 132.550 12.178 24.710 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.550 11.137 25.197 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.921 13.087 23.660 1.00 0.99 C ATOM 0 H VAL A 38 134.124 11.861 27.329 1.00 0.29 H new ATOM 0 HA VAL A 38 133.424 13.978 25.487 1.00 0.41 H new ATOM 0 HB VAL A 38 133.380 11.645 24.247 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.169 10.573 24.346 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.042 10.457 25.892 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.722 11.636 25.702 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.526 12.482 22.844 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.111 13.659 24.112 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.676 13.771 23.272 1.00 0.99 H new ATOM 660 N ARG A 39 130.891 13.761 26.576 1.00 0.44 N ATOM 661 CA ARG A 39 129.800 13.988 27.524 1.00 0.47 C ATOM 662 C ARG A 39 129.074 12.675 27.823 1.00 0.53 C ATOM 663 O ARG A 39 128.280 12.195 27.011 1.00 0.86 O ATOM 664 CB ARG A 39 128.818 15.031 26.971 1.00 0.59 C ATOM 665 CG ARG A 39 127.605 15.272 27.859 1.00 0.75 C ATOM 666 CD ARG A 39 127.977 16.028 29.126 1.00 0.97 C ATOM 667 NE ARG A 39 127.620 17.446 29.048 1.00 0.93 N ATOM 668 CZ ARG A 39 126.391 17.927 29.272 1.00 1.00 C ATOM 669 NH1 ARG A 39 125.389 17.108 29.588 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.165 19.234 29.181 1.00 1.48 N ATOM 0 H ARG A 39 130.685 14.045 25.618 1.00 0.44 H new ATOM 0 HA ARG A 39 130.221 14.370 28.454 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.346 15.974 26.831 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.477 14.708 25.987 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.855 15.837 27.305 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.153 14.316 28.125 1.00 0.75 H new ATOM 0 HD2 ARG A 39 127.473 15.574 29.979 1.00 0.97 H new ATOM 0 HD3 ARG A 39 129.049 15.934 29.302 1.00 0.97 H new ATOM 0 HE ARG A 39 128.356 18.110 28.807 1.00 0.93 H new ATOM 0 HH11 ARG A 39 125.555 16.104 29.661 1.00 1.27 H new ATOM 0 HH12 ARG A 39 124.456 17.485 29.757 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.927 19.868 28.941 1.00 1.48 H new ATOM 0 HH22 ARG A 39 125.229 19.603 29.351 1.00 1.48 H new ATOM 684 N VAL A 40 129.364 12.093 28.988 1.00 0.46 N ATOM 685 CA VAL A 40 128.748 10.827 29.392 1.00 0.53 C ATOM 686 C VAL A 40 127.312 11.030 29.878 1.00 0.53 C ATOM 687 O VAL A 40 126.943 12.118 30.325 1.00 0.66 O ATOM 688 CB VAL A 40 129.564 10.117 30.497 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.901 9.638 29.951 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.768 11.029 31.702 1.00 0.78 C ATOM 0 H VAL A 40 130.020 12.477 29.668 1.00 0.46 H new ATOM 0 HA VAL A 40 128.737 10.195 28.504 1.00 0.53 H new ATOM 0 HB VAL A 40 128.996 9.248 30.829 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.461 9.141 30.743 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.730 8.938 29.133 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.471 10.492 29.585 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.345 10.503 32.463 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.306 11.925 31.393 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.799 11.312 32.113 1.00 0.78 H new ATOM 700 N MET A 41 126.507 9.970 29.782 1.00 0.53 N ATOM 701 CA MET A 41 125.109 10.020 30.204 1.00 0.60 C ATOM 702 C MET A 41 124.763 8.828 31.092 1.00 0.86 C ATOM 703 O MET A 41 123.984 8.951 32.038 1.00 1.20 O ATOM 704 CB MET A 41 124.188 10.049 28.980 1.00 0.75 C ATOM 705 CG MET A 41 124.424 8.905 28.004 1.00 0.56 C ATOM 706 SD MET A 41 122.977 8.543 26.992 1.00 0.67 S ATOM 707 CE MET A 41 123.071 9.861 25.783 1.00 0.54 C ATOM 0 H MET A 41 126.802 9.065 29.415 1.00 0.53 H new ATOM 0 HA MET A 41 124.961 10.932 30.783 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.152 10.019 29.316 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.326 10.995 28.456 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.263 9.154 27.355 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.706 8.011 28.560 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.240 9.773 25.083 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.018 10.824 26.290 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.013 9.789 25.239 1.00 0.54 H new ATOM 718 N GLY B 1 134.804 4.215 -27.781 1.00 0.61 N ATOM 719 CA GLY B 1 136.188 3.803 -28.158 1.00 0.61 C ATOM 720 C GLY B 1 136.683 2.620 -27.345 1.00 0.52 C ATOM 721 O GLY B 1 136.548 1.471 -27.769 1.00 0.60 O ATOM 0 H1 GLY B 1 134.512 5.025 -28.364 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.150 3.422 -27.939 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.784 4.485 -26.777 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.212 3.547 -29.217 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.865 4.645 -28.018 1.00 0.61 H new ATOM 727 N SER B 2 137.256 2.903 -26.175 1.00 0.50 N ATOM 728 CA SER B 2 137.773 1.854 -25.294 1.00 0.49 C ATOM 729 C SER B 2 137.037 1.834 -23.955 1.00 0.47 C ATOM 730 O SER B 2 137.583 1.380 -22.949 1.00 0.63 O ATOM 731 CB SER B 2 139.275 2.044 -25.067 1.00 0.55 C ATOM 732 OG SER B 2 140.006 1.809 -26.258 1.00 0.67 O ATOM 0 H SER B 2 137.374 3.850 -25.815 1.00 0.50 H new ATOM 0 HA SER B 2 137.603 0.895 -25.784 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.467 3.057 -24.713 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.617 1.364 -24.287 1.00 0.55 H new ATOM 0 HG SER B 2 140.962 1.939 -26.086 1.00 0.67 H new ATOM 738 N LEU B 3 135.783 2.299 -23.952 1.00 0.48 N ATOM 739 CA LEU B 3 134.968 2.300 -22.739 1.00 0.55 C ATOM 740 C LEU B 3 134.245 0.958 -22.618 1.00 0.65 C ATOM 741 O LEU B 3 133.019 0.896 -22.502 1.00 1.02 O ATOM 742 CB LEU B 3 133.970 3.465 -22.761 1.00 0.62 C ATOM 743 CG LEU B 3 134.371 4.672 -21.910 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.392 5.530 -22.645 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.144 5.493 -21.537 1.00 0.76 C ATOM 0 H LEU B 3 135.314 2.678 -24.775 1.00 0.48 H new ATOM 0 HA LEU B 3 135.611 2.435 -21.869 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.839 3.793 -23.792 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.002 3.102 -22.417 1.00 0.62 H new ATOM 0 HG LEU B 3 134.831 4.309 -20.991 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.665 6.383 -22.024 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.281 4.936 -22.857 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.962 5.886 -23.581 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.448 6.347 -20.932 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.654 5.847 -22.444 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.451 4.873 -20.968 1.00 0.76 H new ATOM 757 N THR B 4 135.033 -0.116 -22.661 1.00 0.46 N ATOM 758 CA THR B 4 134.521 -1.478 -22.575 1.00 0.55 C ATOM 759 C THR B 4 135.355 -2.289 -21.579 1.00 0.42 C ATOM 760 O THR B 4 135.991 -1.716 -20.697 1.00 0.43 O ATOM 761 CB THR B 4 134.533 -2.144 -23.959 1.00 0.72 C ATOM 762 OG1 THR B 4 135.852 -2.226 -24.481 1.00 0.70 O ATOM 763 CG2 THR B 4 133.676 -1.425 -24.979 1.00 0.90 C ATOM 0 H THR B 4 136.047 -0.063 -22.757 1.00 0.46 H new ATOM 0 HA THR B 4 133.490 -1.445 -22.222 1.00 0.55 H new ATOM 0 HB THR B 4 134.119 -3.139 -23.795 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.829 -2.656 -25.362 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.730 -1.948 -25.934 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.642 -1.404 -24.635 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.038 -0.404 -25.104 1.00 0.90 H new ATOM 771 N TYR B 5 135.322 -3.618 -21.703 1.00 0.50 N ATOM 772 CA TYR B 5 136.056 -4.519 -20.804 1.00 0.45 C ATOM 773 C TYR B 5 137.493 -4.062 -20.519 1.00 0.41 C ATOM 774 O TYR B 5 137.983 -4.248 -19.405 1.00 0.46 O ATOM 775 CB TYR B 5 136.082 -5.932 -21.393 1.00 0.57 C ATOM 776 CG TYR B 5 136.731 -6.963 -20.491 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.396 -7.052 -19.144 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.679 -7.847 -20.990 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.988 -7.991 -18.322 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.276 -8.789 -20.174 1.00 0.92 C ATOM 781 CZ TYR B 5 137.927 -8.857 -18.842 1.00 0.67 C ATOM 782 OH TYR B 5 138.518 -9.796 -18.026 1.00 0.84 O ATOM 0 H TYR B 5 134.788 -4.101 -22.426 1.00 0.50 H new ATOM 0 HA TYR B 5 135.524 -4.505 -19.853 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.060 -6.244 -21.608 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.615 -5.909 -22.344 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.661 -6.376 -18.734 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.954 -7.797 -22.033 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.717 -8.047 -17.278 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.012 -9.468 -20.578 1.00 0.92 H new ATOM 0 HH TYR B 5 139.155 -10.328 -18.547 1.00 0.84 H new ATOM 792 N GLU B 6 138.175 -3.473 -21.508 1.00 0.49 N ATOM 793 CA GLU B 6 139.553 -3.013 -21.312 1.00 0.50 C ATOM 794 C GLU B 6 139.616 -1.759 -20.434 1.00 0.38 C ATOM 795 O GLU B 6 140.676 -1.419 -19.908 1.00 0.44 O ATOM 796 CB GLU B 6 140.205 -2.720 -22.664 1.00 0.62 C ATOM 797 CG GLU B 6 141.052 -3.864 -23.197 1.00 0.68 C ATOM 798 CD GLU B 6 141.664 -3.553 -24.549 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.769 -2.971 -24.581 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.037 -3.888 -25.577 1.00 1.14 O ATOM 0 H GLU B 6 137.800 -3.305 -22.442 1.00 0.49 H new ATOM 0 HA GLU B 6 140.094 -3.810 -20.803 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.426 -2.488 -23.390 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.829 -1.831 -22.571 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.847 -4.086 -22.485 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.437 -4.760 -23.278 1.00 0.68 H new ATOM 807 N GLU B 7 138.476 -1.085 -20.270 1.00 0.32 N ATOM 808 CA GLU B 7 138.406 0.120 -19.447 1.00 0.29 C ATOM 809 C GLU B 7 138.309 -0.239 -17.968 1.00 0.27 C ATOM 810 O GLU B 7 138.980 0.364 -17.129 1.00 0.43 O ATOM 811 CB GLU B 7 137.204 0.977 -19.854 1.00 0.43 C ATOM 812 CG GLU B 7 137.442 2.470 -19.693 1.00 0.57 C ATOM 813 CD GLU B 7 136.874 3.012 -18.395 1.00 0.72 C ATOM 814 OE1 GLU B 7 137.599 2.994 -17.377 1.00 0.80 O ATOM 815 OE2 GLU B 7 135.706 3.452 -18.395 1.00 1.00 O ATOM 0 H GLU B 7 137.590 -1.355 -20.697 1.00 0.32 H new ATOM 0 HA GLU B 7 139.320 0.692 -19.608 1.00 0.29 H new ATOM 0 HB2 GLU B 7 136.953 0.767 -20.894 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.341 0.688 -19.254 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.513 2.670 -19.729 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.991 2.999 -20.532 1.00 0.57 H new ATOM 822 N VAL B 8 137.473 -1.231 -17.657 1.00 0.35 N ATOM 823 CA VAL B 8 137.284 -1.682 -16.283 1.00 0.37 C ATOM 824 C VAL B 8 138.501 -2.464 -15.782 1.00 0.28 C ATOM 825 O VAL B 8 138.858 -2.373 -14.607 1.00 0.40 O ATOM 826 CB VAL B 8 136.014 -2.554 -16.155 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.189 -3.886 -16.872 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.650 -2.767 -14.693 1.00 0.78 C ATOM 0 H VAL B 8 136.915 -1.738 -18.344 1.00 0.35 H new ATOM 0 HA VAL B 8 137.164 -0.792 -15.665 1.00 0.37 H new ATOM 0 HB VAL B 8 135.192 -2.023 -16.635 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.280 -4.479 -16.765 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.384 -3.707 -17.929 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.028 -4.427 -16.435 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.753 -3.383 -14.627 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.473 -3.268 -14.182 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.463 -1.803 -14.220 1.00 0.78 H new ATOM 838 N LEU B 9 139.129 -3.235 -16.678 1.00 0.35 N ATOM 839 CA LEU B 9 140.306 -4.031 -16.324 1.00 0.49 C ATOM 840 C LEU B 9 141.377 -3.159 -15.668 1.00 0.52 C ATOM 841 O LEU B 9 141.829 -3.452 -14.560 1.00 0.74 O ATOM 842 CB LEU B 9 140.882 -4.718 -17.569 1.00 0.65 C ATOM 843 CG LEU B 9 140.416 -6.161 -17.795 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.897 -6.672 -19.146 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.914 -7.064 -16.674 1.00 0.76 C ATOM 0 H LEU B 9 138.840 -3.323 -17.652 1.00 0.35 H new ATOM 0 HA LEU B 9 139.995 -4.793 -15.610 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.617 -4.127 -18.445 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.970 -4.712 -17.497 1.00 0.65 H new ATOM 0 HG LEU B 9 139.326 -6.176 -17.790 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.557 -7.698 -19.289 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.493 -6.042 -19.938 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.986 -6.643 -19.179 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.574 -8.084 -16.851 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.003 -7.044 -16.648 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.521 -6.711 -15.721 1.00 0.76 H new ATOM 857 N GLN B 10 141.771 -2.082 -16.355 1.00 0.41 N ATOM 858 CA GLN B 10 142.782 -1.156 -15.838 1.00 0.48 C ATOM 859 C GLN B 10 142.283 -0.413 -14.595 1.00 0.42 C ATOM 860 O GLN B 10 143.083 0.075 -13.794 1.00 0.48 O ATOM 861 CB GLN B 10 143.174 -0.146 -16.917 1.00 0.58 C ATOM 862 CG GLN B 10 144.394 -0.558 -17.721 1.00 0.66 C ATOM 863 CD GLN B 10 145.695 -0.211 -17.019 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.090 -0.873 -16.059 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.367 0.833 -17.494 1.00 0.83 N ATOM 0 H GLN B 10 141.404 -1.830 -17.273 1.00 0.41 H new ATOM 0 HA GLN B 10 143.654 -1.746 -15.554 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.332 -0.007 -17.595 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.368 0.818 -16.447 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.359 -1.632 -17.905 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.367 -0.067 -18.694 1.00 0.66 H new ATOM 0 HE21 GLN B 10 146.003 1.354 -18.292 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.247 1.113 -17.061 1.00 0.83 H new ATOM 874 N GLU B 11 140.960 -0.348 -14.431 1.00 0.40 N ATOM 875 CA GLU B 11 140.352 0.311 -13.278 1.00 0.42 C ATOM 876 C GLU B 11 140.371 -0.617 -12.060 1.00 0.37 C ATOM 877 O GLU B 11 140.364 -0.158 -10.918 1.00 0.54 O ATOM 878 CB GLU B 11 138.913 0.718 -13.604 1.00 0.48 C ATOM 879 CG GLU B 11 138.499 2.044 -12.994 1.00 0.62 C ATOM 880 CD GLU B 11 137.039 2.368 -13.246 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.723 2.863 -14.349 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.213 2.123 -12.342 1.00 1.53 O ATOM 0 H GLU B 11 140.288 -0.747 -15.087 1.00 0.40 H new ATOM 0 HA GLU B 11 140.930 1.205 -13.044 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.798 0.775 -14.686 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.236 -0.061 -13.252 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.682 2.019 -11.920 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.121 2.839 -13.405 1.00 0.62 H new ATOM 889 N LEU B 12 140.413 -1.926 -12.324 1.00 0.32 N ATOM 890 CA LEU B 12 140.451 -2.930 -11.268 1.00 0.30 C ATOM 891 C LEU B 12 141.821 -2.944 -10.601 1.00 0.28 C ATOM 892 O LEU B 12 141.930 -2.772 -9.384 1.00 0.36 O ATOM 893 CB LEU B 12 140.126 -4.316 -11.835 1.00 0.32 C ATOM 894 CG LEU B 12 139.631 -5.343 -10.812 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.745 -5.718 -9.844 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.423 -4.806 -10.056 1.00 0.54 C ATOM 0 H LEU B 12 140.421 -2.313 -13.268 1.00 0.32 H new ATOM 0 HA LEU B 12 139.699 -2.674 -10.521 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.367 -4.205 -12.610 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.019 -4.711 -12.319 1.00 0.32 H new ATOM 0 HG LEU B 12 139.328 -6.242 -11.349 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.372 -6.448 -9.126 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.580 -6.147 -10.398 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.082 -4.827 -9.314 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.086 -5.550 -9.334 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.699 -3.891 -9.532 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.619 -4.593 -10.760 1.00 0.54 H new ATOM 908 N VAL B 13 142.863 -3.152 -11.409 1.00 0.25 N ATOM 909 CA VAL B 13 144.232 -3.190 -10.905 1.00 0.26 C ATOM 910 C VAL B 13 144.550 -1.942 -10.075 1.00 0.22 C ATOM 911 O VAL B 13 144.996 -2.058 -8.935 1.00 0.26 O ATOM 912 CB VAL B 13 145.265 -3.350 -12.049 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.082 -2.284 -13.125 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.686 -3.329 -11.499 1.00 0.52 C ATOM 0 H VAL B 13 142.782 -3.296 -12.415 1.00 0.25 H new ATOM 0 HA VAL B 13 144.308 -4.066 -10.261 1.00 0.26 H new ATOM 0 HB VAL B 13 145.092 -4.319 -12.517 1.00 0.33 H new ATOM 0 HG11 VAL B 13 145.824 -2.429 -13.910 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.082 -2.365 -13.551 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.209 -1.296 -12.683 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.395 -3.443 -12.319 1.00 0.52 H new ATOM 0 HG22 VAL B 13 146.866 -2.381 -10.992 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.815 -4.148 -10.792 1.00 0.52 H new ATOM 924 N LYS B 14 144.332 -0.757 -10.655 1.00 0.24 N ATOM 925 CA LYS B 14 144.604 0.511 -9.972 1.00 0.25 C ATOM 926 C LYS B 14 144.034 0.535 -8.552 1.00 0.22 C ATOM 927 O LYS B 14 144.672 1.055 -7.637 1.00 0.29 O ATOM 928 CB LYS B 14 144.023 1.676 -10.779 1.00 0.34 C ATOM 929 CG LYS B 14 144.894 2.100 -11.951 1.00 0.87 C ATOM 930 CD LYS B 14 144.272 3.257 -12.716 1.00 0.75 C ATOM 931 CE LYS B 14 144.665 4.599 -12.118 1.00 0.70 C ATOM 932 NZ LYS B 14 144.266 5.738 -12.991 1.00 0.72 N ATOM 0 H LYS B 14 143.966 -0.650 -11.601 1.00 0.24 H new ATOM 0 HA LYS B 14 145.687 0.614 -9.897 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.039 1.393 -11.152 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.879 2.530 -10.117 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.879 2.391 -11.587 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.039 1.254 -12.623 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.588 3.216 -13.759 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.187 3.158 -12.707 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.197 4.711 -11.140 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.743 4.624 -11.960 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.553 6.633 -12.546 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.732 5.646 -13.916 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.234 5.731 -13.121 1.00 0.72 H new ATOM 946 N HIS B 15 142.838 -0.030 -8.368 1.00 0.24 N ATOM 947 CA HIS B 15 142.203 -0.066 -7.050 1.00 0.27 C ATOM 948 C HIS B 15 142.992 -0.957 -6.089 1.00 0.25 C ATOM 949 O HIS B 15 143.123 -0.643 -4.905 1.00 0.45 O ATOM 950 CB HIS B 15 140.761 -0.577 -7.157 1.00 0.33 C ATOM 951 CG HIS B 15 139.808 0.393 -7.786 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.440 0.289 -7.649 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.024 1.479 -8.566 1.00 0.74 C ATOM 954 CE1 HIS B 15 137.856 1.267 -8.317 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.794 2.003 -8.881 1.00 0.76 N ATOM 0 H HIS B 15 142.293 -0.466 -9.111 1.00 0.24 H new ATOM 0 HA HIS B 15 142.192 0.952 -6.659 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.757 -1.500 -7.737 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.401 -0.826 -6.159 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.984 1.861 -8.881 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.792 1.435 -8.389 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.632 2.828 -9.458 1.00 0.76 H new ATOM 964 N LYS B 16 143.519 -2.065 -6.612 1.00 0.21 N ATOM 965 CA LYS B 16 144.299 -3.006 -5.812 1.00 0.27 C ATOM 966 C LYS B 16 145.684 -2.443 -5.488 1.00 0.36 C ATOM 967 O LYS B 16 146.166 -2.580 -4.362 1.00 0.69 O ATOM 968 CB LYS B 16 144.437 -4.343 -6.548 1.00 0.35 C ATOM 969 CG LYS B 16 143.117 -5.078 -6.723 1.00 0.46 C ATOM 970 CD LYS B 16 143.279 -6.324 -7.582 1.00 0.49 C ATOM 971 CE LYS B 16 143.965 -7.447 -6.818 1.00 0.53 C ATOM 972 NZ LYS B 16 145.336 -7.717 -7.334 1.00 0.61 N ATOM 0 H LYS B 16 143.418 -2.332 -7.591 1.00 0.21 H new ATOM 0 HA LYS B 16 143.768 -3.167 -4.874 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.877 -4.165 -7.529 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.129 -4.981 -5.999 1.00 0.35 H new ATOM 0 HG2 LYS B 16 142.723 -5.358 -5.746 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.387 -4.411 -7.182 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.300 -6.661 -7.923 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.860 -6.080 -8.471 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.020 -7.185 -5.761 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.365 -8.354 -6.891 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.767 -8.488 -6.786 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.282 -7.992 -8.336 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.917 -6.859 -7.241 1.00 0.61 H new ATOM 986 N GLU B 17 146.321 -1.813 -6.480 1.00 0.30 N ATOM 987 CA GLU B 17 147.652 -1.233 -6.300 1.00 0.38 C ATOM 988 C GLU B 17 147.610 0.002 -5.397 1.00 0.32 C ATOM 989 O GLU B 17 148.557 0.259 -4.651 1.00 0.40 O ATOM 990 CB GLU B 17 148.255 -0.867 -7.658 1.00 0.51 C ATOM 991 CG GLU B 17 149.774 -0.847 -7.662 1.00 0.80 C ATOM 992 CD GLU B 17 150.342 0.340 -8.416 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.516 1.410 -7.796 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.616 0.198 -9.628 1.00 1.47 O ATOM 0 H GLU B 17 145.934 -1.693 -7.416 1.00 0.30 H new ATOM 0 HA GLU B 17 148.278 -1.982 -5.815 1.00 0.38 H new ATOM 0 HB2 GLU B 17 147.907 -1.580 -8.405 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.886 0.114 -7.958 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.136 -0.826 -6.634 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.144 -1.769 -8.111 1.00 0.80 H new ATOM 1001 N LEU B 18 146.506 0.752 -5.454 1.00 0.32 N ATOM 1002 CA LEU B 18 146.346 1.945 -4.622 1.00 0.34 C ATOM 1003 C LEU B 18 146.266 1.555 -3.148 1.00 0.35 C ATOM 1004 O LEU B 18 146.790 2.257 -2.281 1.00 0.66 O ATOM 1005 CB LEU B 18 145.090 2.723 -5.024 1.00 0.51 C ATOM 1006 CG LEU B 18 145.295 3.767 -6.125 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.955 4.221 -6.686 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.086 4.956 -5.594 1.00 0.75 C ATOM 0 H LEU B 18 145.714 0.554 -6.065 1.00 0.32 H new ATOM 0 HA LEU B 18 147.215 2.585 -4.775 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.332 2.013 -5.355 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.693 3.223 -4.140 1.00 0.51 H new ATOM 0 HG LEU B 18 145.867 3.309 -6.932 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.120 4.963 -7.467 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.427 3.364 -7.105 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.357 4.661 -5.888 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.222 5.688 -6.391 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.542 5.415 -4.768 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.061 4.617 -5.243 1.00 0.75 H new ATOM 1020 N LEU B 19 145.614 0.421 -2.879 1.00 0.45 N ATOM 1021 CA LEU B 19 145.472 -0.086 -1.517 1.00 0.47 C ATOM 1022 C LEU B 19 146.840 -0.413 -0.919 1.00 0.33 C ATOM 1023 O LEU B 19 147.052 -0.254 0.286 1.00 0.45 O ATOM 1024 CB LEU B 19 144.589 -1.335 -1.500 1.00 0.63 C ATOM 1025 CG LEU B 19 143.089 -1.072 -1.649 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.397 -2.270 -2.282 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.468 -0.742 -0.298 1.00 0.96 C ATOM 0 H LEU B 19 145.176 -0.163 -3.591 1.00 0.45 H new ATOM 0 HA LEU B 19 145.000 0.690 -0.914 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.908 -1.997 -2.305 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.757 -1.867 -0.564 1.00 0.63 H new ATOM 0 HG LEU B 19 142.953 -0.213 -2.306 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.331 -2.065 -2.380 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.823 -2.457 -3.268 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.541 -3.148 -1.652 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.401 -0.558 -0.423 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.614 -1.580 0.384 1.00 0.96 H new ATOM 0 HD23 LEU B 19 142.944 0.148 0.114 1.00 0.96 H new ATOM 1039 N ARG B 20 147.767 -0.864 -1.772 1.00 0.35 N ATOM 1040 CA ARG B 20 149.116 -1.208 -1.331 1.00 0.49 C ATOM 1041 C ARG B 20 149.834 0.026 -0.797 1.00 0.40 C ATOM 1042 O ARG B 20 150.228 0.049 0.370 1.00 0.49 O ATOM 1043 CB ARG B 20 149.925 -1.835 -2.477 1.00 0.76 C ATOM 1044 CG ARG B 20 149.187 -2.933 -3.236 1.00 0.85 C ATOM 1045 CD ARG B 20 148.650 -4.008 -2.300 1.00 0.96 C ATOM 1046 NE ARG B 20 149.582 -5.127 -2.152 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.680 -6.143 -3.015 1.00 1.13 C ATOM 1048 NH1 ARG B 20 148.924 -6.179 -4.111 1.00 1.68 N ATOM 1049 NH2 ARG B 20 150.544 -7.127 -2.781 1.00 1.59 N ATOM 0 H ARG B 20 147.604 -0.998 -2.770 1.00 0.35 H new ATOM 0 HA ARG B 20 149.031 -1.941 -0.529 1.00 0.49 H new ATOM 0 HB2 ARG B 20 150.207 -1.050 -3.179 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.849 -2.247 -2.071 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.362 -2.495 -3.797 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.860 -3.388 -3.963 1.00 0.85 H new ATOM 0 HD2 ARG B 20 148.452 -3.570 -1.322 1.00 0.96 H new ATOM 0 HD3 ARG B 20 147.698 -4.378 -2.682 1.00 0.96 H new ATOM 0 HE ARG B 20 150.196 -5.132 -1.338 1.00 1.06 H new ATOM 0 HH11 ARG B 20 148.262 -5.426 -4.299 1.00 1.68 H new ATOM 0 HH12 ARG B 20 149.007 -6.959 -4.763 1.00 1.68 H new ATOM 0 HH21 ARG B 20 151.129 -7.104 -1.945 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.622 -7.904 -3.437 1.00 1.59 H new ATOM 1063 N ARG B 21 150.014 1.050 -1.643 1.00 0.35 N ATOM 1064 CA ARG B 21 150.694 2.280 -1.231 1.00 0.35 C ATOM 1065 C ARG B 21 150.165 2.799 0.104 1.00 0.34 C ATOM 1066 O ARG B 21 150.948 3.198 0.964 1.00 0.47 O ATOM 1067 CB ARG B 21 150.540 3.360 -2.306 1.00 0.45 C ATOM 1068 CG ARG B 21 151.864 3.935 -2.780 1.00 0.70 C ATOM 1069 CD ARG B 21 151.708 4.685 -4.093 1.00 0.98 C ATOM 1070 NE ARG B 21 152.694 5.756 -4.239 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.859 6.471 -5.354 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.096 6.241 -6.420 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.787 7.422 -5.403 1.00 1.53 N ATOM 0 H ARG B 21 149.698 1.049 -2.613 1.00 0.35 H new ATOM 0 HA ARG B 21 151.750 2.042 -1.105 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.009 2.939 -3.160 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.922 4.167 -1.913 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.262 4.608 -2.021 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.588 3.130 -2.904 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.808 3.986 -4.923 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.705 5.107 -4.151 1.00 0.98 H new ATOM 0 HE ARG B 21 153.292 5.969 -3.440 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.380 5.515 -6.388 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.227 6.791 -7.269 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.373 7.605 -4.588 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.913 7.968 -6.255 1.00 1.53 H new ATOM 1087 N LYS B 22 148.837 2.787 0.274 1.00 0.30 N ATOM 1088 CA LYS B 22 148.216 3.251 1.517 1.00 0.36 C ATOM 1089 C LYS B 22 148.965 2.698 2.729 1.00 0.31 C ATOM 1090 O LYS B 22 149.343 3.444 3.635 1.00 0.36 O ATOM 1091 CB LYS B 22 146.744 2.829 1.572 1.00 0.47 C ATOM 1092 CG LYS B 22 145.856 3.817 2.310 1.00 0.69 C ATOM 1093 CD LYS B 22 144.419 3.745 1.819 1.00 0.86 C ATOM 1094 CE LYS B 22 143.432 3.709 2.976 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.045 5.076 3.423 1.00 0.70 N ATOM 0 H LYS B 22 148.176 2.462 -0.431 1.00 0.30 H new ATOM 0 HA LYS B 22 148.269 4.339 1.539 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.371 2.707 0.555 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.671 1.855 2.057 1.00 0.47 H new ATOM 0 HG2 LYS B 22 145.888 3.609 3.379 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.240 4.828 2.171 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.207 4.607 1.186 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.289 2.856 1.202 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.540 3.160 2.674 1.00 0.70 H new ATOM 0 HE3 LYS B 22 143.873 3.166 3.812 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.372 5.005 4.212 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.892 5.592 3.736 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.600 5.587 2.633 1.00 0.70 H new ATOM 1109 N ASP B 23 149.197 1.385 2.719 1.00 0.32 N ATOM 1110 CA ASP B 23 149.922 0.714 3.792 1.00 0.32 C ATOM 1111 C ASP B 23 151.415 1.053 3.725 1.00 0.30 C ATOM 1112 O ASP B 23 151.981 1.588 4.675 1.00 0.37 O ATOM 1113 CB ASP B 23 149.712 -0.801 3.691 1.00 0.36 C ATOM 1114 CG ASP B 23 148.348 -1.227 4.199 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.400 -1.268 3.387 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.228 -1.519 5.408 1.00 1.11 O ATOM 0 H ASP B 23 148.889 0.763 1.972 1.00 0.32 H new ATOM 0 HA ASP B 23 149.536 1.062 4.750 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.824 -1.113 2.653 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.486 -1.312 4.263 1.00 0.36 H new ATOM 1121 N THR B 24 152.041 0.723 2.592 1.00 0.28 N ATOM 1122 CA THR B 24 153.474 0.973 2.375 1.00 0.29 C ATOM 1123 C THR B 24 153.903 2.378 2.825 1.00 0.27 C ATOM 1124 O THR B 24 155.010 2.556 3.333 1.00 0.32 O ATOM 1125 CB THR B 24 153.830 0.797 0.895 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.239 -0.378 0.367 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.322 0.720 0.647 1.00 0.55 C ATOM 0 H THR B 24 151.575 0.277 1.802 1.00 0.28 H new ATOM 0 HA THR B 24 154.010 0.244 2.983 1.00 0.29 H new ATOM 0 HB THR B 24 153.440 1.685 0.397 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.479 -0.468 -0.579 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.508 0.595 -0.420 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.796 1.638 0.993 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.738 -0.129 1.189 1.00 0.55 H new ATOM 1135 N HIS B 25 153.026 3.364 2.626 1.00 0.26 N ATOM 1136 CA HIS B 25 153.324 4.747 3.002 1.00 0.29 C ATOM 1137 C HIS B 25 153.258 4.948 4.513 1.00 0.31 C ATOM 1138 O HIS B 25 154.125 5.604 5.091 1.00 0.41 O ATOM 1139 CB HIS B 25 152.375 5.714 2.296 1.00 0.34 C ATOM 1140 CG HIS B 25 153.048 6.972 1.850 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.827 7.742 2.687 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.068 7.589 0.646 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.297 8.778 2.018 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.851 8.708 0.778 1.00 0.74 N ATOM 0 H HIS B 25 152.105 3.231 2.207 1.00 0.26 H new ATOM 0 HA HIS B 25 154.345 4.959 2.683 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.936 5.217 1.431 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.555 5.966 2.969 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.563 7.262 -0.251 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.937 9.551 2.417 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.055 9.378 0.037 1.00 0.74 H new ATOM 1153 N ILE B 26 152.248 4.366 5.156 1.00 0.29 N ATOM 1154 CA ILE B 26 152.118 4.474 6.608 1.00 0.35 C ATOM 1155 C ILE B 26 153.188 3.618 7.300 1.00 0.35 C ATOM 1156 O ILE B 26 153.469 3.798 8.486 1.00 0.47 O ATOM 1157 CB ILE B 26 150.713 4.052 7.099 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.450 2.577 6.782 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.643 4.939 6.470 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.379 1.951 7.648 1.00 0.68 C ATOM 0 H ILE B 26 151.515 3.821 4.702 1.00 0.29 H new ATOM 0 HA ILE B 26 152.260 5.523 6.869 1.00 0.35 H new ATOM 0 HB ILE B 26 150.672 4.178 8.181 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.158 2.486 5.736 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.377 2.017 6.904 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.660 4.630 6.825 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.820 5.977 6.750 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.683 4.844 5.385 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.248 0.906 7.366 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.677 2.010 8.695 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.439 2.485 7.508 1.00 0.68 H new ATOM 1172 N ARG B 27 153.795 2.698 6.535 1.00 0.31 N ATOM 1173 CA ARG B 27 154.846 1.825 7.047 1.00 0.37 C ATOM 1174 C ARG B 27 156.205 2.524 6.964 1.00 0.34 C ATOM 1175 O ARG B 27 156.980 2.499 7.922 1.00 0.39 O ATOM 1176 CB ARG B 27 154.870 0.511 6.262 1.00 0.46 C ATOM 1177 CG ARG B 27 155.858 -0.510 6.807 1.00 0.53 C ATOM 1178 CD ARG B 27 156.734 -1.082 5.704 1.00 0.80 C ATOM 1179 NE ARG B 27 158.144 -1.123 6.091 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.687 -2.085 6.844 1.00 0.92 C ATOM 1181 NH1 ARG B 27 157.943 -3.090 7.301 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.981 -2.041 7.142 1.00 1.67 N ATOM 0 H ARG B 27 153.569 2.544 5.552 1.00 0.31 H new ATOM 0 HA ARG B 27 154.637 1.601 8.093 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.871 0.076 6.269 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.118 0.724 5.222 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.486 -0.042 7.565 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.315 -1.318 7.297 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.396 -2.089 5.458 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.623 -0.479 4.803 1.00 0.80 H new ATOM 0 HE ARG B 27 158.751 -0.370 5.766 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.949 -3.131 7.077 1.00 1.21 H new ATOM 0 HH12 ARG B 27 158.367 -3.819 7.875 1.00 1.21 H new ATOM 0 HH21 ARG B 27 160.558 -1.274 6.796 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.397 -2.774 7.716 1.00 1.67 H new ATOM 1196 N GLU B 28 156.479 3.167 5.820 1.00 0.33 N ATOM 1197 CA GLU B 28 157.737 3.895 5.633 1.00 0.36 C ATOM 1198 C GLU B 28 157.789 5.088 6.583 1.00 0.35 C ATOM 1199 O GLU B 28 158.816 5.343 7.214 1.00 0.44 O ATOM 1200 CB GLU B 28 157.915 4.354 4.174 1.00 0.47 C ATOM 1201 CG GLU B 28 156.690 5.029 3.569 1.00 0.78 C ATOM 1202 CD GLU B 28 156.910 6.501 3.268 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.882 7.313 4.217 1.00 1.79 O ATOM 1204 OE2 GLU B 28 157.101 6.842 2.082 1.00 1.62 O ATOM 0 H GLU B 28 155.850 3.197 5.017 1.00 0.33 H new ATOM 0 HA GLU B 28 158.560 3.218 5.862 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.756 5.045 4.124 1.00 0.47 H new ATOM 0 HB3 GLU B 28 158.176 3.489 3.564 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.415 4.513 2.649 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.849 4.926 4.255 1.00 0.78 H new ATOM 1211 N LEU B 29 156.665 5.802 6.703 1.00 0.33 N ATOM 1212 CA LEU B 29 156.580 6.949 7.604 1.00 0.38 C ATOM 1213 C LEU B 29 156.626 6.502 9.072 1.00 0.42 C ATOM 1214 O LEU B 29 156.871 7.315 9.963 1.00 0.79 O ATOM 1215 CB LEU B 29 155.303 7.754 7.341 1.00 0.46 C ATOM 1216 CG LEU B 29 155.518 9.260 7.160 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.258 9.671 5.718 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.626 10.044 8.113 1.00 0.59 C ATOM 0 H LEU B 29 155.807 5.605 6.189 1.00 0.33 H new ATOM 0 HA LEU B 29 157.443 7.587 7.410 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.820 7.360 6.447 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.614 7.597 8.171 1.00 0.46 H new ATOM 0 HG LEU B 29 156.557 9.489 7.396 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.416 10.744 5.611 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.941 9.136 5.058 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.230 9.428 5.450 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.792 11.112 7.971 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.581 9.809 7.910 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.866 9.773 9.141 1.00 0.59 H new ATOM 1230 N GLU B 30 156.418 5.200 9.314 1.00 0.43 N ATOM 1231 CA GLU B 30 156.465 4.652 10.670 1.00 0.45 C ATOM 1232 C GLU B 30 157.906 4.616 11.183 1.00 0.44 C ATOM 1233 O GLU B 30 158.154 4.808 12.375 1.00 0.58 O ATOM 1234 CB GLU B 30 155.856 3.245 10.712 1.00 0.51 C ATOM 1235 CG GLU B 30 154.608 3.150 11.578 1.00 0.58 C ATOM 1236 CD GLU B 30 154.873 3.512 13.027 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.334 2.633 13.786 1.00 1.26 O ATOM 1238 OE2 GLU B 30 154.622 4.677 13.403 1.00 1.35 O ATOM 0 H GLU B 30 156.217 4.512 8.589 1.00 0.43 H new ATOM 0 HA GLU B 30 155.877 5.302 11.317 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.609 2.934 9.697 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.603 2.545 11.087 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.841 3.812 11.177 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.212 2.136 11.528 1.00 0.58 H new ATOM 1245 N ASP B 31 158.854 4.402 10.264 1.00 0.41 N ATOM 1246 CA ASP B 31 160.276 4.374 10.602 1.00 0.55 C ATOM 1247 C ASP B 31 160.837 5.799 10.665 1.00 0.57 C ATOM 1248 O ASP B 31 161.843 6.054 11.329 1.00 0.76 O ATOM 1249 CB ASP B 31 161.039 3.544 9.566 1.00 0.69 C ATOM 1250 CG ASP B 31 161.017 2.063 9.890 1.00 1.28 C ATOM 1251 OD1 ASP B 31 161.836 1.624 10.725 1.00 1.66 O ATOM 1252 OD2 ASP B 31 160.176 1.341 9.312 1.00 1.74 O ATOM 0 H ASP B 31 158.657 4.245 9.275 1.00 0.41 H new ATOM 0 HA ASP B 31 160.399 3.914 11.582 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.602 3.705 8.581 1.00 0.69 H new ATOM 0 HB3 ASP B 31 162.072 3.888 9.517 1.00 0.69 H new ATOM 1257 N TYR B 32 160.149 6.726 9.990 1.00 0.49 N ATOM 1258 CA TYR B 32 160.542 8.131 9.986 1.00 0.56 C ATOM 1259 C TYR B 32 160.268 8.742 11.359 1.00 0.56 C ATOM 1260 O TYR B 32 161.086 9.495 11.888 1.00 0.67 O ATOM 1261 CB TYR B 32 159.786 8.899 8.899 1.00 0.60 C ATOM 1262 CG TYR B 32 160.514 8.940 7.570 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.726 9.611 7.440 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.990 8.310 6.447 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.392 9.652 6.229 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.652 8.348 5.234 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.851 9.019 5.131 1.00 1.21 C ATOM 1268 OH TYR B 32 162.511 9.061 3.924 1.00 1.53 O ATOM 0 H TYR B 32 159.315 6.523 9.439 1.00 0.49 H new ATOM 0 HA TYR B 32 161.608 8.200 9.770 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.808 8.440 8.754 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.612 9.919 9.241 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.153 10.108 8.299 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.051 7.782 6.523 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.332 10.178 6.144 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.231 7.854 4.371 1.00 1.17 H new ATOM 0 HH TYR B 32 161.997 8.565 3.253 1.00 1.53 H new ATOM 1278 N ILE B 33 159.120 8.382 11.940 1.00 0.54 N ATOM 1279 CA ILE B 33 158.740 8.860 13.268 1.00 0.64 C ATOM 1280 C ILE B 33 159.446 8.044 14.364 1.00 0.58 C ATOM 1281 O ILE B 33 159.427 8.422 15.537 1.00 0.78 O ATOM 1282 CB ILE B 33 157.210 8.783 13.485 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.464 9.490 12.346 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.827 9.394 14.827 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.075 8.940 12.094 1.00 0.87 C ATOM 0 H ILE B 33 158.437 7.759 11.508 1.00 0.54 H new ATOM 0 HA ILE B 33 159.050 9.903 13.332 1.00 0.64 H new ATOM 0 HB ILE B 33 156.920 7.732 13.487 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.388 10.552 12.578 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.051 9.404 11.431 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.747 9.330 14.961 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.325 8.850 15.630 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.135 10.439 14.852 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.609 9.489 11.275 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.144 7.885 11.830 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.471 9.050 12.995 1.00 0.87 H new ATOM 1297 N ASP B 34 160.091 6.936 13.969 1.00 0.46 N ATOM 1298 CA ASP B 34 160.819 6.088 14.913 1.00 0.50 C ATOM 1299 C ASP B 34 162.041 6.822 15.459 1.00 0.40 C ATOM 1300 O ASP B 34 162.371 6.693 16.630 1.00 0.45 O ATOM 1301 CB ASP B 34 161.254 4.779 14.243 1.00 0.69 C ATOM 1302 CG ASP B 34 160.535 3.569 14.808 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.717 3.277 16.010 1.00 1.46 O ATOM 1304 OD2 ASP B 34 159.791 2.913 14.049 1.00 1.34 O ATOM 0 H ASP B 34 160.121 6.610 13.003 1.00 0.46 H new ATOM 0 HA ASP B 34 160.149 5.852 15.740 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.064 4.843 13.172 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.329 4.650 14.369 1.00 0.69 H new ATOM 1309 N ASN B 35 162.701 7.594 14.591 1.00 0.52 N ATOM 1310 CA ASN B 35 163.891 8.368 14.965 1.00 0.58 C ATOM 1311 C ASN B 35 163.720 9.024 16.336 1.00 0.49 C ATOM 1312 O ASN B 35 164.667 9.084 17.122 1.00 0.61 O ATOM 1313 CB ASN B 35 164.180 9.442 13.909 1.00 0.78 C ATOM 1314 CG ASN B 35 164.887 8.883 12.688 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.115 8.808 12.650 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.114 8.491 11.679 1.00 1.31 N ATOM 0 H ASN B 35 162.428 7.701 13.614 1.00 0.52 H new ATOM 0 HA ASN B 35 164.733 7.678 15.019 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.243 9.906 13.601 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.793 10.227 14.352 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.535 8.110 10.832 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.100 8.571 11.753 1.00 1.31 H new ATOM 1323 N LEU B 36 162.505 9.499 16.623 1.00 0.44 N ATOM 1324 CA LEU B 36 162.209 10.130 17.908 1.00 0.51 C ATOM 1325 C LEU B 36 162.271 9.093 19.030 1.00 0.47 C ATOM 1326 O LEU B 36 162.911 9.315 20.059 1.00 0.59 O ATOM 1327 CB LEU B 36 160.823 10.790 17.882 1.00 0.71 C ATOM 1328 CG LEU B 36 160.500 11.605 16.623 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.053 12.079 16.649 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.450 12.790 16.491 1.00 1.64 C ATOM 0 H LEU B 36 161.712 9.458 15.982 1.00 0.44 H new ATOM 0 HA LEU B 36 162.957 10.901 18.092 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.068 10.012 17.993 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.736 11.445 18.749 1.00 0.71 H new ATOM 0 HG LEU B 36 160.635 10.960 15.754 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.843 12.655 15.748 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.388 11.216 16.691 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.891 12.705 17.526 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.204 13.355 15.592 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.350 13.435 17.364 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.476 12.428 16.423 1.00 1.64 H new ATOM 1342 N LEU B 37 161.609 7.954 18.811 1.00 0.41 N ATOM 1343 CA LEU B 37 161.589 6.865 19.785 1.00 0.48 C ATOM 1344 C LEU B 37 162.199 5.590 19.188 1.00 0.41 C ATOM 1345 O LEU B 37 161.526 4.565 19.065 1.00 0.54 O ATOM 1346 CB LEU B 37 160.152 6.598 20.257 1.00 0.65 C ATOM 1347 CG LEU B 37 159.118 6.408 19.139 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.115 5.326 19.513 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.405 7.720 18.839 1.00 0.69 C ATOM 0 H LEU B 37 161.077 7.764 17.962 1.00 0.41 H new ATOM 0 HA LEU B 37 162.191 7.163 20.644 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.153 5.706 20.884 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.834 7.429 20.886 1.00 0.65 H new ATOM 0 HG LEU B 37 159.643 6.090 18.238 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.391 5.207 18.707 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.639 4.384 19.672 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.596 5.612 20.428 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.676 7.564 18.044 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.894 8.070 19.736 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.134 8.466 18.522 1.00 0.69 H new ATOM 1361 N VAL B 38 163.480 5.666 18.808 1.00 0.36 N ATOM 1362 CA VAL B 38 164.182 4.525 18.211 1.00 0.49 C ATOM 1363 C VAL B 38 163.971 3.253 19.037 1.00 0.67 C ATOM 1364 O VAL B 38 163.709 3.325 20.238 1.00 1.35 O ATOM 1365 CB VAL B 38 165.700 4.802 18.079 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.430 3.594 17.503 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.953 6.038 17.228 1.00 0.89 C ATOM 0 H VAL B 38 164.051 6.506 18.904 1.00 0.36 H new ATOM 0 HA VAL B 38 163.762 4.379 17.216 1.00 0.49 H new ATOM 0 HB VAL B 38 166.093 4.989 19.078 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.494 3.817 17.421 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.288 2.736 18.160 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.031 3.364 16.515 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.026 6.212 17.150 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.536 5.886 16.232 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.478 6.902 17.692 1.00 0.89 H new ATOM 1377 N ARG B 39 164.069 2.098 18.366 1.00 0.54 N ATOM 1378 CA ARG B 39 163.876 0.789 19.000 1.00 0.62 C ATOM 1379 C ARG B 39 164.709 0.634 20.278 1.00 0.51 C ATOM 1380 O ARG B 39 165.799 0.057 20.259 1.00 0.63 O ATOM 1381 CB ARG B 39 164.221 -0.328 18.009 1.00 0.93 C ATOM 1382 CG ARG B 39 163.214 -0.472 16.876 1.00 1.15 C ATOM 1383 CD ARG B 39 163.889 -0.888 15.577 1.00 1.41 C ATOM 1384 NE ARG B 39 163.656 -2.299 15.264 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.424 -3.304 15.698 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.502 -3.064 16.442 1.00 2.06 N ATOM 1387 NH2 ARG B 39 164.117 -4.557 15.379 1.00 2.18 N ATOM 0 H ARG B 39 164.284 2.045 17.370 1.00 0.54 H new ATOM 0 HA ARG B 39 162.827 0.716 19.286 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.206 -0.134 17.585 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.286 -1.273 18.548 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.461 -1.212 17.149 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.693 0.474 16.729 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.516 -0.269 14.761 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.961 -0.706 15.651 1.00 1.41 H new ATOM 0 HE ARG B 39 162.855 -2.531 14.676 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.750 -2.105 16.687 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.080 -3.839 16.767 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.297 -4.751 14.804 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.701 -5.325 15.709 1.00 2.18 H new ATOM 1401 N VAL B 40 164.174 1.150 21.386 1.00 0.43 N ATOM 1402 CA VAL B 40 164.834 1.079 22.688 1.00 0.56 C ATOM 1403 C VAL B 40 163.786 1.042 23.805 1.00 0.71 C ATOM 1404 O VAL B 40 163.743 1.923 24.668 1.00 1.15 O ATOM 1405 CB VAL B 40 165.795 2.273 22.922 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.632 2.043 24.175 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.693 2.506 21.711 1.00 0.65 C ATOM 0 H VAL B 40 163.273 1.628 21.405 1.00 0.43 H new ATOM 0 HA VAL B 40 165.427 0.165 22.701 1.00 0.56 H new ATOM 0 HB VAL B 40 165.191 3.169 23.065 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.302 2.890 24.326 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.974 1.942 25.038 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.219 1.132 24.058 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.355 3.350 21.906 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.289 1.613 21.523 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.077 2.722 20.838 1.00 0.65 H new ATOM 1417 N MET B 41 162.933 0.018 23.771 1.00 0.60 N ATOM 1418 CA MET B 41 161.874 -0.137 24.768 1.00 0.74 C ATOM 1419 C MET B 41 162.270 -1.154 25.836 1.00 0.91 C ATOM 1420 O MET B 41 162.599 -2.304 25.471 1.00 0.91 O ATOM 1421 CB MET B 41 160.565 -0.564 24.093 1.00 0.73 C ATOM 1422 CG MET B 41 160.051 0.435 23.064 1.00 0.74 C ATOM 1423 SD MET B 41 159.393 -0.366 21.587 1.00 0.86 S ATOM 1424 CE MET B 41 159.934 0.766 20.308 1.00 0.70 C ATOM 1425 OXT MET B 41 162.249 -0.791 27.031 1.00 1.13 O ATOM 0 H MET B 41 162.955 -0.717 23.064 1.00 0.60 H new ATOM 0 HA MET B 41 161.725 0.827 25.254 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.715 -1.528 23.607 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.802 -0.708 24.858 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.273 1.049 23.517 1.00 0.74 H new ATOM 0 HG3 MET B 41 160.861 1.106 22.778 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.892 0.268 19.340 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.282 1.639 20.295 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.958 1.081 20.510 1.00 0.70 H new