USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=13 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 -109:sc= 0.0273 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= -0.431 K(o=-0.43,f=0.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00316) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.3) USER MOD Single : A 41 MET CE :methyl 168:sc= 0 (180deg=-0.16) 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= -0.436 K(o=-0.44,f=0.1) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000608) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.878 -18.408 -19.259 1.00 0.77 N ATOM 2 CA GLY A 1 130.641 -18.338 -18.429 1.00 0.81 C ATOM 3 C GLY A 1 130.484 -17.003 -17.726 1.00 0.65 C ATOM 4 O GLY A 1 130.313 -15.970 -18.376 1.00 0.70 O ATOM 0 H1 GLY A 1 131.937 -19.340 -19.717 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.850 -17.666 -19.987 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.711 -18.267 -18.653 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.772 -18.515 -19.063 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.661 -19.135 -17.686 1.00 0.81 H new ATOM 10 N SER A 2 130.545 -17.024 -16.394 1.00 0.55 N ATOM 11 CA SER A 2 130.411 -15.805 -15.597 1.00 0.48 C ATOM 12 C SER A 2 131.769 -15.167 -15.314 1.00 0.47 C ATOM 13 O SER A 2 131.837 -13.973 -15.021 1.00 0.71 O ATOM 14 CB SER A 2 129.682 -16.100 -14.284 1.00 0.54 C ATOM 15 OG SER A 2 128.336 -16.475 -14.523 1.00 0.67 O ATOM 0 H SER A 2 130.686 -17.872 -15.845 1.00 0.55 H new ATOM 0 HA SER A 2 129.822 -15.095 -16.178 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.196 -16.899 -13.750 1.00 0.54 H new ATOM 0 HB3 SER A 2 129.709 -15.219 -13.643 1.00 0.54 H new ATOM 0 HG SER A 2 127.891 -16.660 -13.669 1.00 0.67 H new ATOM 21 N LEU A 3 132.849 -15.951 -15.424 1.00 0.38 N ATOM 22 CA LEU A 3 134.197 -15.428 -15.203 1.00 0.43 C ATOM 23 C LEU A 3 134.623 -14.594 -16.411 1.00 0.53 C ATOM 24 O LEU A 3 135.550 -14.949 -17.143 1.00 0.88 O ATOM 25 CB LEU A 3 135.195 -16.567 -14.950 1.00 0.48 C ATOM 26 CG LEU A 3 135.156 -17.716 -15.965 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.553 -18.018 -16.489 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.538 -18.958 -15.338 1.00 1.42 C ATOM 0 H LEU A 3 132.814 -16.942 -15.663 1.00 0.38 H new ATOM 0 HA LEU A 3 134.189 -14.795 -14.316 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.202 -16.149 -14.939 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.009 -16.976 -13.957 1.00 0.48 H new ATOM 0 HG LEU A 3 134.536 -17.410 -16.807 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.503 -18.836 -17.208 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.958 -17.131 -16.976 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.199 -18.303 -15.659 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.518 -19.764 -16.071 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.132 -19.265 -14.477 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.521 -18.735 -15.016 1.00 1.42 H new ATOM 40 N THR A 4 133.909 -13.490 -16.614 1.00 0.41 N ATOM 41 CA THR A 4 134.151 -12.582 -17.728 1.00 0.49 C ATOM 42 C THR A 4 133.738 -11.161 -17.332 1.00 0.39 C ATOM 43 O THR A 4 133.701 -10.840 -16.148 1.00 0.39 O ATOM 44 CB THR A 4 133.382 -13.060 -18.971 1.00 0.65 C ATOM 45 OG1 THR A 4 132.102 -13.557 -18.617 1.00 0.64 O ATOM 46 CG2 THR A 4 134.101 -14.151 -19.736 1.00 0.80 C ATOM 0 H THR A 4 133.143 -13.200 -16.006 1.00 0.41 H new ATOM 0 HA THR A 4 135.213 -12.575 -17.972 1.00 0.49 H new ATOM 0 HB THR A 4 133.298 -12.181 -19.610 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.088 -14.531 -18.724 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.505 -14.443 -20.601 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.070 -13.782 -20.071 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.246 -15.015 -19.087 1.00 0.80 H new ATOM 54 N TYR A 5 133.475 -10.304 -18.321 1.00 0.48 N ATOM 55 CA TYR A 5 133.101 -8.903 -18.085 1.00 0.46 C ATOM 56 C TYR A 5 132.189 -8.695 -16.870 1.00 0.42 C ATOM 57 O TYR A 5 132.415 -7.766 -16.091 1.00 0.47 O ATOM 58 CB TYR A 5 132.421 -8.338 -19.335 1.00 0.59 C ATOM 59 CG TYR A 5 132.117 -6.852 -19.274 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.989 -5.958 -18.660 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.957 -6.344 -19.845 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.712 -4.604 -18.618 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.673 -4.992 -19.805 1.00 0.90 C ATOM 64 CZ TYR A 5 131.553 -4.126 -19.192 1.00 0.65 C ATOM 65 OH TYR A 5 131.276 -2.778 -19.157 1.00 0.79 O ATOM 0 H TYR A 5 133.515 -10.559 -19.308 1.00 0.48 H new ATOM 0 HA TYR A 5 134.028 -8.372 -17.867 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.059 -8.529 -20.197 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.490 -8.879 -19.502 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.898 -6.328 -18.209 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.265 -7.017 -20.329 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.400 -3.924 -18.138 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.765 -4.615 -20.252 1.00 0.90 H new ATOM 0 HH TYR A 5 130.422 -2.608 -19.607 1.00 0.79 H new ATOM 75 N GLU A 6 131.156 -9.528 -16.700 1.00 0.48 N ATOM 76 CA GLU A 6 130.235 -9.373 -15.569 1.00 0.50 C ATOM 77 C GLU A 6 130.880 -9.754 -14.230 1.00 0.38 C ATOM 78 O GLU A 6 130.358 -9.405 -13.170 1.00 0.47 O ATOM 79 CB GLU A 6 128.972 -10.213 -15.796 1.00 0.60 C ATOM 80 CG GLU A 6 127.911 -9.508 -16.630 1.00 0.65 C ATOM 81 CD GLU A 6 126.500 -9.839 -16.182 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.012 -9.194 -15.230 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.882 -10.744 -16.783 1.00 1.16 O ATOM 0 H GLU A 6 130.939 -10.306 -17.322 1.00 0.48 H new ATOM 0 HA GLU A 6 129.972 -8.317 -15.515 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.250 -11.145 -16.289 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.544 -10.479 -14.829 1.00 0.60 H new ATOM 0 HG2 GLU A 6 128.064 -8.430 -16.570 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.031 -9.789 -17.676 1.00 0.65 H new ATOM 90 N GLU A 7 132.010 -10.462 -14.278 1.00 0.30 N ATOM 91 CA GLU A 7 132.711 -10.872 -13.060 1.00 0.29 C ATOM 92 C GLU A 7 133.510 -9.710 -12.477 1.00 0.28 C ATOM 93 O GLU A 7 133.431 -9.438 -11.278 1.00 0.46 O ATOM 94 CB GLU A 7 133.645 -12.055 -13.337 1.00 0.40 C ATOM 95 CG GLU A 7 133.665 -13.091 -12.222 1.00 0.56 C ATOM 96 CD GLU A 7 134.565 -12.693 -11.067 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.786 -12.940 -11.152 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.048 -12.135 -10.076 1.00 0.81 O ATOM 0 H GLU A 7 132.458 -10.762 -15.144 1.00 0.30 H new ATOM 0 HA GLU A 7 131.959 -11.182 -12.335 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.340 -12.538 -14.265 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.657 -11.680 -13.491 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.651 -13.240 -11.852 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.000 -14.046 -12.626 1.00 0.56 H new ATOM 105 N VAL A 8 134.273 -9.022 -13.331 1.00 0.34 N ATOM 106 CA VAL A 8 135.080 -7.884 -12.896 1.00 0.36 C ATOM 107 C VAL A 8 134.199 -6.713 -12.454 1.00 0.28 C ATOM 108 O VAL A 8 134.569 -5.961 -11.551 1.00 0.39 O ATOM 109 CB VAL A 8 136.048 -7.417 -14.010 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.304 -6.675 -15.113 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.158 -6.550 -13.431 1.00 0.77 C ATOM 0 H VAL A 8 134.347 -9.235 -14.326 1.00 0.34 H new ATOM 0 HA VAL A 8 135.668 -8.221 -12.043 1.00 0.36 H new ATOM 0 HB VAL A 8 136.501 -8.305 -14.452 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.011 -6.360 -15.880 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.558 -7.335 -15.556 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.810 -5.799 -14.693 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.827 -6.233 -14.231 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.722 -5.673 -12.953 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.720 -7.123 -12.694 1.00 0.77 H new ATOM 121 N LEU A 9 133.037 -6.560 -13.099 1.00 0.36 N ATOM 122 CA LEU A 9 132.111 -5.477 -12.770 1.00 0.49 C ATOM 123 C LEU A 9 131.761 -5.485 -11.281 1.00 0.53 C ATOM 124 O LEU A 9 131.971 -4.488 -10.590 1.00 0.73 O ATOM 125 CB LEU A 9 130.836 -5.575 -13.615 1.00 0.66 C ATOM 126 CG LEU A 9 130.587 -4.384 -14.546 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.578 -4.747 -15.627 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.111 -3.176 -13.750 1.00 0.72 C ATOM 0 H LEU A 9 132.718 -7.172 -13.850 1.00 0.36 H new ATOM 0 HA LEU A 9 132.608 -4.535 -12.999 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.884 -6.483 -14.216 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.981 -5.680 -12.947 1.00 0.66 H new ATOM 0 HG LEU A 9 131.528 -4.126 -15.033 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.416 -3.887 -16.277 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.960 -5.580 -16.216 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.635 -5.034 -15.163 1.00 0.86 H new ATOM 0 HD21 LEU A 9 129.939 -2.339 -14.427 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.183 -3.423 -13.235 1.00 0.72 H new ATOM 0 HD23 LEU A 9 130.870 -2.900 -13.018 1.00 0.72 H new ATOM 140 N GLN A 10 131.218 -6.606 -10.790 1.00 0.42 N ATOM 141 CA GLN A 10 130.834 -6.730 -9.379 1.00 0.49 C ATOM 142 C GLN A 10 132.017 -6.508 -8.429 1.00 0.43 C ATOM 143 O GLN A 10 131.819 -6.170 -7.261 1.00 0.50 O ATOM 144 CB GLN A 10 130.220 -8.110 -9.120 1.00 0.60 C ATOM 145 CG GLN A 10 128.744 -8.202 -9.480 1.00 0.69 C ATOM 146 CD GLN A 10 127.833 -7.802 -8.333 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.410 -6.651 -8.236 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.525 -8.754 -7.456 1.00 0.84 N ATOM 0 H GLN A 10 131.035 -7.439 -11.349 1.00 0.42 H new ATOM 0 HA GLN A 10 130.099 -5.950 -9.178 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.771 -8.856 -9.692 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.344 -8.361 -8.067 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.543 -7.561 -10.338 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.512 -9.223 -9.784 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.898 -9.696 -7.574 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.916 -8.542 -6.666 1.00 0.84 H new ATOM 157 N GLU A 11 133.243 -6.683 -8.929 1.00 0.41 N ATOM 158 CA GLU A 11 134.438 -6.481 -8.110 1.00 0.44 C ATOM 159 C GLU A 11 134.677 -4.991 -7.851 1.00 0.40 C ATOM 160 O GLU A 11 135.314 -4.622 -6.865 1.00 0.56 O ATOM 161 CB GLU A 11 135.664 -7.102 -8.784 1.00 0.52 C ATOM 162 CG GLU A 11 135.754 -8.610 -8.610 1.00 0.63 C ATOM 163 CD GLU A 11 136.721 -9.255 -9.584 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.945 -9.060 -9.424 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.256 -9.956 -10.507 1.00 1.64 O ATOM 0 H GLU A 11 133.432 -6.963 -9.891 1.00 0.41 H new ATOM 0 HA GLU A 11 134.277 -6.976 -7.152 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.641 -6.868 -9.848 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.564 -6.643 -8.376 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.067 -8.836 -7.591 1.00 0.63 H new ATOM 0 HG3 GLU A 11 134.764 -9.047 -8.744 1.00 0.63 H new ATOM 172 N LEU A 12 134.144 -4.137 -8.732 1.00 0.34 N ATOM 173 CA LEU A 12 134.285 -2.690 -8.583 1.00 0.34 C ATOM 174 C LEU A 12 133.506 -2.212 -7.359 1.00 0.31 C ATOM 175 O LEU A 12 134.061 -1.548 -6.483 1.00 0.39 O ATOM 176 CB LEU A 12 133.796 -1.965 -9.846 1.00 0.36 C ATOM 177 CG LEU A 12 134.883 -1.241 -10.649 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.286 0.055 -9.960 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.095 -2.142 -10.851 1.00 0.59 C ATOM 0 H LEU A 12 133.612 -4.425 -9.553 1.00 0.34 H new ATOM 0 HA LEU A 12 135.340 -2.456 -8.443 1.00 0.34 H new ATOM 0 HB2 LEU A 12 133.310 -2.692 -10.497 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.037 -1.238 -9.557 1.00 0.36 H new ATOM 0 HG LEU A 12 134.475 -0.995 -11.629 1.00 0.44 H new ATOM 0 HD11 LEU A 12 136.058 0.554 -10.546 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.417 0.707 -9.875 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.672 -0.167 -8.965 1.00 0.65 H new ATOM 0 HD21 LEU A 12 136.854 -1.608 -11.423 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.504 -2.425 -9.881 1.00 0.59 H new ATOM 0 HD23 LEU A 12 135.795 -3.039 -11.394 1.00 0.59 H new ATOM 191 N VAL A 13 132.219 -2.572 -7.300 1.00 0.26 N ATOM 192 CA VAL A 13 131.363 -2.197 -6.175 1.00 0.26 C ATOM 193 C VAL A 13 131.819 -2.875 -4.873 1.00 0.22 C ATOM 194 O VAL A 13 131.470 -2.425 -3.780 1.00 0.24 O ATOM 195 CB VAL A 13 129.879 -2.541 -6.449 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.626 -4.037 -6.319 1.00 0.61 C ATOM 197 CG2 VAL A 13 128.965 -1.754 -5.518 1.00 0.53 C ATOM 0 H VAL A 13 131.750 -3.122 -8.019 1.00 0.26 H new ATOM 0 HA VAL A 13 131.453 -1.117 -6.058 1.00 0.26 H new ATOM 0 HB VAL A 13 129.652 -2.255 -7.476 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.575 -4.247 -6.517 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.245 -4.574 -7.037 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.877 -4.362 -5.309 1.00 0.61 H new ATOM 0 HG21 VAL A 13 127.926 -2.010 -5.726 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.199 -2.002 -4.483 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.115 -0.686 -5.678 1.00 0.53 H new ATOM 207 N LYS A 14 132.616 -3.945 -4.998 1.00 0.24 N ATOM 208 CA LYS A 14 133.134 -4.660 -3.834 1.00 0.23 C ATOM 209 C LYS A 14 134.293 -3.879 -3.220 1.00 0.21 C ATOM 210 O LYS A 14 134.270 -3.552 -2.033 1.00 0.28 O ATOM 211 CB LYS A 14 133.589 -6.071 -4.227 1.00 0.30 C ATOM 212 CG LYS A 14 134.112 -6.893 -3.058 1.00 0.84 C ATOM 213 CD LYS A 14 133.498 -8.285 -3.032 1.00 0.68 C ATOM 214 CE LYS A 14 133.433 -8.840 -1.618 1.00 0.73 C ATOM 215 NZ LYS A 14 133.234 -10.317 -1.605 1.00 0.75 N ATOM 0 H LYS A 14 132.913 -4.331 -5.894 1.00 0.24 H new ATOM 0 HA LYS A 14 132.338 -4.752 -3.095 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.752 -6.599 -4.685 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.370 -5.994 -4.984 1.00 0.30 H new ATOM 0 HG2 LYS A 14 135.197 -6.975 -3.127 1.00 0.84 H new ATOM 0 HG3 LYS A 14 133.889 -6.379 -2.123 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.495 -8.249 -3.456 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.086 -8.955 -3.660 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.354 -8.594 -1.090 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.617 -8.360 -1.077 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.195 -10.653 -0.622 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.342 -10.551 -2.086 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 134.025 -10.778 -2.098 1.00 0.75 H new ATOM 229 N HIS A 15 135.295 -3.564 -4.048 1.00 0.25 N ATOM 230 CA HIS A 15 136.456 -2.795 -3.598 1.00 0.27 C ATOM 231 C HIS A 15 136.022 -1.410 -3.121 1.00 0.23 C ATOM 232 O HIS A 15 136.580 -0.871 -2.164 1.00 0.43 O ATOM 233 CB HIS A 15 137.479 -2.648 -4.728 1.00 0.33 C ATOM 234 CG HIS A 15 138.264 -3.893 -5.000 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.273 -4.346 -4.175 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.187 -4.781 -6.018 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.782 -5.457 -4.675 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.140 -5.742 -5.793 1.00 0.72 N ATOM 0 H HIS A 15 135.324 -3.830 -5.032 1.00 0.25 H new ATOM 0 HA HIS A 15 136.918 -3.333 -2.771 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.959 -2.351 -5.639 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.169 -1.842 -4.478 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.503 -4.741 -6.853 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.586 -6.034 -4.243 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.323 -6.547 -6.393 1.00 0.72 H new ATOM 247 N LYS A 16 135.019 -0.845 -3.799 1.00 0.21 N ATOM 248 CA LYS A 16 134.500 0.474 -3.451 1.00 0.25 C ATOM 249 C LYS A 16 133.848 0.454 -2.070 1.00 0.32 C ATOM 250 O LYS A 16 134.209 1.247 -1.200 1.00 0.62 O ATOM 251 CB LYS A 16 133.493 0.951 -4.503 1.00 0.37 C ATOM 252 CG LYS A 16 134.144 1.465 -5.779 1.00 0.50 C ATOM 253 CD LYS A 16 133.155 1.506 -6.934 1.00 0.57 C ATOM 254 CE LYS A 16 132.919 2.929 -7.420 1.00 0.59 C ATOM 255 NZ LYS A 16 131.637 3.487 -6.908 1.00 0.66 N ATOM 0 H LYS A 16 134.552 -1.284 -4.593 1.00 0.21 H new ATOM 0 HA LYS A 16 135.338 1.171 -3.427 1.00 0.25 H new ATOM 0 HB2 LYS A 16 132.823 0.128 -4.753 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.879 1.743 -4.074 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.545 2.464 -5.607 1.00 0.50 H new ATOM 0 HG3 LYS A 16 134.986 0.825 -6.042 1.00 0.50 H new ATOM 0 HD2 LYS A 16 133.530 0.898 -7.757 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.208 1.067 -6.619 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.745 3.564 -7.099 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.911 2.943 -8.510 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.515 4.457 -7.262 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 130.846 2.897 -7.236 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.654 3.498 -5.868 1.00 0.66 H new ATOM 269 N GLU A 17 132.893 -0.462 -1.869 1.00 0.32 N ATOM 270 CA GLU A 17 132.199 -0.587 -0.587 1.00 0.39 C ATOM 271 C GLU A 17 133.168 -0.970 0.533 1.00 0.32 C ATOM 272 O GLU A 17 133.028 -0.505 1.665 1.00 0.40 O ATOM 273 CB GLU A 17 131.083 -1.631 -0.687 1.00 0.51 C ATOM 274 CG GLU A 17 130.126 -1.620 0.495 1.00 0.80 C ATOM 275 CD GLU A 17 128.762 -2.185 0.148 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.595 -3.421 0.219 1.00 1.47 O ATOM 277 OE2 GLU A 17 127.860 -1.391 -0.196 1.00 1.43 O ATOM 0 H GLU A 17 132.585 -1.126 -2.579 1.00 0.32 H new ATOM 0 HA GLU A 17 131.765 0.383 -0.347 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.517 -1.458 -1.602 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.531 -2.621 -0.771 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.557 -2.198 1.312 1.00 0.80 H new ATOM 0 HG3 GLU A 17 130.011 -0.597 0.855 1.00 0.80 H new ATOM 284 N LEU A 18 134.155 -1.811 0.209 1.00 0.32 N ATOM 285 CA LEU A 18 135.150 -2.239 1.190 1.00 0.34 C ATOM 286 C LEU A 18 135.907 -1.033 1.735 1.00 0.33 C ATOM 287 O LEU A 18 136.085 -0.898 2.947 1.00 0.66 O ATOM 288 CB LEU A 18 136.130 -3.240 0.569 1.00 0.53 C ATOM 289 CG LEU A 18 135.769 -4.713 0.775 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.460 -5.584 -0.266 1.00 0.86 C ATOM 291 CD2 LEU A 18 136.138 -5.163 2.182 1.00 0.79 C ATOM 0 H LEU A 18 134.284 -2.206 -0.722 1.00 0.32 H new ATOM 0 HA LEU A 18 134.630 -2.731 2.012 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.196 -3.044 -0.501 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.121 -3.063 0.987 1.00 0.53 H new ATOM 0 HG LEU A 18 134.691 -4.823 0.652 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.191 -6.628 -0.103 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.144 -5.279 -1.264 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.540 -5.469 -0.177 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.874 -6.213 2.309 1.00 0.79 H new ATOM 0 HD22 LEU A 18 137.210 -5.038 2.335 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.595 -4.561 2.911 1.00 0.79 H new ATOM 303 N LEU A 19 136.336 -0.149 0.830 1.00 0.43 N ATOM 304 CA LEU A 19 137.059 1.059 1.216 1.00 0.44 C ATOM 305 C LEU A 19 136.142 2.025 1.967 1.00 0.30 C ATOM 306 O LEU A 19 136.591 2.742 2.863 1.00 0.45 O ATOM 307 CB LEU A 19 137.640 1.751 -0.022 1.00 0.57 C ATOM 308 CG LEU A 19 139.085 1.374 -0.359 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.400 1.701 -1.812 1.00 0.88 C ATOM 310 CD2 LEU A 19 140.052 2.089 0.575 1.00 0.94 C ATOM 0 H LEU A 19 136.193 -0.250 -0.175 1.00 0.43 H new ATOM 0 HA LEU A 19 137.875 0.768 1.878 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.010 1.516 -0.880 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.587 2.830 0.126 1.00 0.57 H new ATOM 0 HG LEU A 19 139.203 0.299 -0.219 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.432 1.426 -2.032 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.729 1.143 -2.464 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.266 2.769 -1.982 1.00 0.88 H new ATOM 0 HD21 LEU A 19 141.075 1.810 0.322 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.932 3.167 0.467 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.842 1.802 1.605 1.00 0.94 H new ATOM 322 N ARG A 20 134.856 2.039 1.598 1.00 0.32 N ATOM 323 CA ARG A 20 133.886 2.917 2.246 1.00 0.50 C ATOM 324 C ARG A 20 133.762 2.574 3.726 1.00 0.40 C ATOM 325 O ARG A 20 134.041 3.416 4.583 1.00 0.47 O ATOM 326 CB ARG A 20 132.521 2.814 1.558 1.00 0.78 C ATOM 327 CG ARG A 20 132.443 3.582 0.248 1.00 0.89 C ATOM 328 CD ARG A 20 131.031 4.068 -0.035 1.00 0.98 C ATOM 329 NE ARG A 20 131.020 5.231 -0.924 1.00 1.06 N ATOM 330 CZ ARG A 20 130.657 6.466 -0.556 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.265 6.722 0.691 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.689 7.454 -1.445 1.00 1.60 N ATOM 0 H ARG A 20 134.468 1.454 0.858 1.00 0.32 H new ATOM 0 HA ARG A 20 134.240 3.944 2.156 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.297 1.764 1.369 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.753 3.187 2.235 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.121 4.435 0.285 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.779 2.943 -0.569 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.453 3.261 -0.486 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.541 4.325 0.904 1.00 0.98 H new ATOM 0 HE ARG A 20 131.309 5.091 -1.892 1.00 1.06 H new ATOM 0 HH11 ARG A 20 130.238 5.972 1.381 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.992 7.668 0.956 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.989 7.269 -2.402 1.00 1.60 H new ATOM 0 HH22 ARG A 20 130.413 8.397 -1.170 1.00 1.60 H new ATOM 346 N ARG A 21 133.341 1.340 4.032 1.00 0.36 N ATOM 347 CA ARG A 21 133.184 0.901 5.417 1.00 0.37 C ATOM 348 C ARG A 21 134.458 1.130 6.228 1.00 0.35 C ATOM 349 O ARG A 21 134.384 1.523 7.389 1.00 0.49 O ATOM 350 CB ARG A 21 132.797 -0.580 5.465 1.00 0.47 C ATOM 351 CG ARG A 21 131.810 -0.915 6.572 1.00 0.71 C ATOM 352 CD ARG A 21 131.189 -2.289 6.371 1.00 0.94 C ATOM 353 NE ARG A 21 131.831 -3.311 7.200 1.00 0.95 N ATOM 354 CZ ARG A 21 131.284 -4.496 7.482 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.083 -4.818 7.008 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.943 -5.365 8.242 1.00 1.50 N ATOM 0 H ARG A 21 133.104 0.632 3.337 1.00 0.36 H new ATOM 0 HA ARG A 21 132.388 1.498 5.862 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.365 -0.865 4.506 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.698 -1.178 5.600 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.318 -0.882 7.536 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.024 -0.160 6.600 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.126 -2.244 6.610 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.268 -2.572 5.321 1.00 0.94 H new ATOM 0 HE ARG A 21 132.753 -3.105 7.586 1.00 0.95 H new ATOM 0 HH11 ARG A 21 129.571 -4.157 6.423 1.00 2.03 H new ATOM 0 HH12 ARG A 21 129.674 -5.726 7.229 1.00 2.03 H new ATOM 0 HH21 ARG A 21 132.864 -5.126 8.608 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.527 -6.271 8.459 1.00 1.50 H new ATOM 370 N LYS A 22 135.621 0.878 5.613 1.00 0.33 N ATOM 371 CA LYS A 22 136.911 1.061 6.287 1.00 0.41 C ATOM 372 C LYS A 22 136.905 2.330 7.143 1.00 0.34 C ATOM 373 O LYS A 22 137.288 2.297 8.314 1.00 0.36 O ATOM 374 CB LYS A 22 138.049 1.116 5.264 1.00 0.56 C ATOM 375 CG LYS A 22 138.760 -0.215 5.075 1.00 0.77 C ATOM 376 CD LYS A 22 139.790 -0.147 3.956 1.00 0.95 C ATOM 377 CE LYS A 22 140.985 0.716 4.341 1.00 0.76 C ATOM 378 NZ LYS A 22 141.901 0.018 5.287 1.00 0.71 N ATOM 0 H LYS A 22 135.694 0.547 4.651 1.00 0.33 H new ATOM 0 HA LYS A 22 137.073 0.206 6.943 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.649 1.445 4.305 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.775 1.865 5.580 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.251 -0.501 6.005 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.028 -0.990 4.850 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.131 -1.154 3.714 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.324 0.257 3.057 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.536 0.993 3.442 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.631 1.641 4.796 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.717 0.629 5.495 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.393 -0.194 6.169 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.233 -0.869 4.858 1.00 0.71 H new ATOM 392 N ASP A 23 136.448 3.441 6.557 1.00 0.34 N ATOM 393 CA ASP A 23 136.369 4.711 7.275 1.00 0.32 C ATOM 394 C ASP A 23 135.186 4.692 8.245 1.00 0.29 C ATOM 395 O ASP A 23 135.336 4.991 9.427 1.00 0.34 O ATOM 396 CB ASP A 23 136.228 5.877 6.292 1.00 0.37 C ATOM 397 CG ASP A 23 136.658 7.200 6.898 1.00 0.78 C ATOM 398 OD1 ASP A 23 135.855 7.801 7.643 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.797 7.634 6.629 1.00 1.17 O ATOM 0 H ASP A 23 136.128 3.484 5.589 1.00 0.34 H new ATOM 0 HA ASP A 23 137.290 4.848 7.842 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.828 5.675 5.405 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.191 5.950 5.966 1.00 0.37 H new ATOM 404 N THR A 24 134.008 4.343 7.727 1.00 0.27 N ATOM 405 CA THR A 24 132.790 4.279 8.537 1.00 0.28 C ATOM 406 C THR A 24 133.032 3.531 9.855 1.00 0.27 C ATOM 407 O THR A 24 132.614 3.988 10.918 1.00 0.32 O ATOM 408 CB THR A 24 131.666 3.597 7.749 1.00 0.31 C ATOM 409 OG1 THR A 24 131.454 4.247 6.505 1.00 0.52 O ATOM 410 CG2 THR A 24 130.343 3.571 8.487 1.00 0.53 C ATOM 0 H THR A 24 133.871 4.099 6.746 1.00 0.27 H new ATOM 0 HA THR A 24 132.495 5.301 8.777 1.00 0.28 H new ATOM 0 HB THR A 24 132.001 2.570 7.604 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.734 3.795 6.018 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.593 3.074 7.872 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.460 3.028 9.425 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.023 4.592 8.696 1.00 0.53 H new ATOM 418 N HIS A 25 133.694 2.372 9.771 1.00 0.27 N ATOM 419 CA HIS A 25 133.981 1.547 10.948 1.00 0.31 C ATOM 420 C HIS A 25 134.889 2.266 11.945 1.00 0.33 C ATOM 421 O HIS A 25 134.630 2.236 13.148 1.00 0.43 O ATOM 422 CB HIS A 25 134.617 0.220 10.523 1.00 0.37 C ATOM 423 CG HIS A 25 134.250 -0.938 11.401 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.585 -1.007 12.738 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.577 -2.080 11.125 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.135 -2.141 13.244 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.520 -2.810 12.287 1.00 0.75 N ATOM 0 H HIS A 25 134.042 1.983 8.895 1.00 0.27 H new ATOM 0 HA HIS A 25 133.032 1.352 11.447 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.317 -0.004 9.499 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.701 0.332 10.521 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.162 -2.364 10.169 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.251 -2.466 14.267 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.075 -3.721 12.393 1.00 0.75 H new ATOM 436 N ILE A 26 135.945 2.923 11.463 1.00 0.31 N ATOM 437 CA ILE A 26 136.830 3.646 12.372 1.00 0.35 C ATOM 438 C ILE A 26 136.063 4.808 13.001 1.00 0.34 C ATOM 439 O ILE A 26 136.178 5.057 14.201 1.00 0.46 O ATOM 440 CB ILE A 26 138.128 4.155 11.691 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.821 5.068 10.501 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.987 2.978 11.248 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.022 5.848 10.010 1.00 0.68 C ATOM 0 H ILE A 26 136.202 2.969 10.477 1.00 0.31 H new ATOM 0 HA ILE A 26 137.151 2.944 13.141 1.00 0.35 H new ATOM 0 HB ILE A 26 138.679 4.743 12.425 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.431 4.464 9.682 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.035 5.768 10.784 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.895 3.349 10.772 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.253 2.375 12.116 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.429 2.367 10.539 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.730 6.473 9.166 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.400 6.479 10.815 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.802 5.155 9.695 1.00 0.68 H new ATOM 455 N ARG A 27 135.274 5.508 12.177 1.00 0.29 N ATOM 456 CA ARG A 27 134.471 6.640 12.632 1.00 0.35 C ATOM 457 C ARG A 27 133.460 6.218 13.704 1.00 0.34 C ATOM 458 O ARG A 27 133.342 6.881 14.736 1.00 0.39 O ATOM 459 CB ARG A 27 133.742 7.279 11.445 1.00 0.44 C ATOM 460 CG ARG A 27 132.957 8.530 11.807 1.00 0.52 C ATOM 461 CD ARG A 27 131.537 8.470 11.267 1.00 0.81 C ATOM 462 NE ARG A 27 130.847 9.755 11.396 1.00 0.91 N ATOM 463 CZ ARG A 27 130.106 10.315 10.433 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.940 9.709 9.258 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.524 11.490 10.649 1.00 1.68 N ATOM 0 H ARG A 27 135.177 5.304 11.182 1.00 0.29 H new ATOM 0 HA ARG A 27 135.146 7.370 13.078 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.472 7.530 10.675 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.061 6.547 11.012 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.931 8.644 12.891 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.464 9.408 11.406 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.560 8.174 10.218 1.00 0.81 H new ATOM 0 HD3 ARG A 27 130.978 7.703 11.802 1.00 0.81 H new ATOM 0 HE ARG A 27 130.937 10.257 12.279 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.381 8.806 9.083 1.00 1.19 H new ATOM 0 HH12 ARG A 27 129.372 10.148 8.533 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.643 11.961 11.546 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.958 11.921 9.918 1.00 1.68 H new ATOM 479 N GLU A 28 132.731 5.117 13.466 1.00 0.33 N ATOM 480 CA GLU A 28 131.748 4.644 14.443 1.00 0.38 C ATOM 481 C GLU A 28 132.447 4.252 15.745 1.00 0.37 C ATOM 482 O GLU A 28 132.062 4.710 16.822 1.00 0.47 O ATOM 483 CB GLU A 28 130.889 3.490 13.893 1.00 0.48 C ATOM 484 CG GLU A 28 131.670 2.270 13.430 1.00 0.81 C ATOM 485 CD GLU A 28 131.724 1.164 14.472 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.674 0.865 15.082 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.815 0.595 14.676 1.00 1.85 O ATOM 0 H GLU A 28 132.803 4.549 12.622 1.00 0.33 H new ATOM 0 HA GLU A 28 131.062 5.465 14.651 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.186 3.180 14.666 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.299 3.864 13.056 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.216 1.880 12.519 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.686 2.572 13.176 1.00 0.81 H new ATOM 494 N LEU A 29 133.487 3.417 15.640 1.00 0.34 N ATOM 495 CA LEU A 29 134.252 2.986 16.812 1.00 0.38 C ATOM 496 C LEU A 29 134.977 4.169 17.470 1.00 0.42 C ATOM 497 O LEU A 29 135.414 4.075 18.618 1.00 0.80 O ATOM 498 CB LEU A 29 135.266 1.907 16.417 1.00 0.48 C ATOM 499 CG LEU A 29 135.500 0.818 17.469 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.082 -0.545 16.932 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.960 0.801 17.905 1.00 0.58 C ATOM 0 H LEU A 29 133.816 3.028 14.757 1.00 0.34 H new ATOM 0 HA LEU A 29 133.550 2.572 17.535 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.928 1.433 15.495 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.219 2.389 16.197 1.00 0.48 H new ATOM 0 HG LEU A 29 134.885 1.044 18.340 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.256 -1.305 17.694 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.023 -0.525 16.674 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.668 -0.781 16.043 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.107 0.021 18.652 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.595 0.601 17.042 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.223 1.768 18.333 1.00 0.58 H new ATOM 513 N GLU A 30 135.084 5.286 16.741 1.00 0.42 N ATOM 514 CA GLU A 30 135.734 6.490 17.257 1.00 0.46 C ATOM 515 C GLU A 30 134.841 7.181 18.288 1.00 0.46 C ATOM 516 O GLU A 30 135.336 7.824 19.216 1.00 0.61 O ATOM 517 CB GLU A 30 136.062 7.457 16.116 1.00 0.51 C ATOM 518 CG GLU A 30 137.543 7.521 15.780 1.00 0.57 C ATOM 519 CD GLU A 30 138.288 8.542 16.619 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.548 8.258 17.808 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.610 9.626 16.089 1.00 1.24 O ATOM 0 H GLU A 30 134.727 5.378 15.790 1.00 0.42 H new ATOM 0 HA GLU A 30 136.664 6.193 17.741 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.509 7.157 15.226 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.716 8.455 16.385 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.989 6.538 15.931 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.662 7.767 14.725 1.00 0.57 H new ATOM 528 N ASP A 31 133.523 7.025 18.129 1.00 0.43 N ATOM 529 CA ASP A 31 132.557 7.610 19.056 1.00 0.58 C ATOM 530 C ASP A 31 132.422 6.740 20.308 1.00 0.59 C ATOM 531 O ASP A 31 132.029 7.224 21.371 1.00 0.78 O ATOM 532 CB ASP A 31 131.195 7.772 18.374 1.00 0.71 C ATOM 533 CG ASP A 31 131.047 9.122 17.700 1.00 1.27 C ATOM 534 OD1 ASP A 31 131.411 9.234 16.510 1.00 1.73 O ATOM 535 OD2 ASP A 31 130.573 10.068 18.364 1.00 1.65 O ATOM 0 H ASP A 31 133.103 6.497 17.364 1.00 0.43 H new ATOM 0 HA ASP A 31 132.918 8.594 19.354 1.00 0.58 H new ATOM 0 HB2 ASP A 31 131.065 6.982 17.634 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.404 7.649 19.113 1.00 0.71 H new ATOM 540 N TYR A 32 132.773 5.455 20.174 1.00 0.51 N ATOM 541 CA TYR A 32 132.716 4.516 21.292 1.00 0.56 C ATOM 542 C TYR A 32 133.832 4.815 22.293 1.00 0.55 C ATOM 543 O TYR A 32 133.625 4.745 23.505 1.00 0.64 O ATOM 544 CB TYR A 32 132.832 3.073 20.790 1.00 0.61 C ATOM 545 CG TYR A 32 131.509 2.453 20.395 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.399 2.543 21.227 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.370 1.772 19.190 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.191 1.975 20.872 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.165 1.201 18.828 1.00 1.19 C ATOM 550 CZ TYR A 32 129.079 1.305 19.672 1.00 1.23 C ATOM 551 OH TYR A 32 127.878 0.736 19.315 1.00 1.55 O ATOM 0 H TYR A 32 133.100 5.045 19.299 1.00 0.51 H new ATOM 0 HA TYR A 32 131.754 4.634 21.791 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.503 3.050 19.932 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.290 2.463 21.569 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.483 3.066 22.168 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.218 1.688 18.526 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.339 2.055 21.531 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.074 0.676 17.889 1.00 1.19 H new ATOM 0 HH TYR A 32 127.968 0.303 18.440 1.00 1.55 H new ATOM 561 N ILE A 33 135.011 5.165 21.770 1.00 0.53 N ATOM 562 CA ILE A 33 136.163 5.497 22.607 1.00 0.62 C ATOM 563 C ILE A 33 136.096 6.954 23.085 1.00 0.58 C ATOM 564 O ILE A 33 136.815 7.345 24.007 1.00 0.77 O ATOM 565 CB ILE A 33 137.497 5.270 21.856 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.488 3.920 21.126 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.674 5.341 22.821 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.353 3.896 19.884 1.00 0.85 C ATOM 0 H ILE A 33 135.191 5.225 20.768 1.00 0.53 H new ATOM 0 HA ILE A 33 136.128 4.832 23.470 1.00 0.62 H new ATOM 0 HB ILE A 33 137.607 6.061 21.115 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.829 3.144 21.811 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.463 3.673 20.849 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.603 5.179 22.274 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.698 6.323 23.294 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.564 4.572 23.586 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.297 2.911 19.421 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.999 4.649 19.179 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.386 4.111 20.156 1.00 0.85 H new ATOM 580 N ASP A 34 135.222 7.752 22.457 1.00 0.49 N ATOM 581 CA ASP A 34 135.057 9.158 22.823 1.00 0.54 C ATOM 582 C ASP A 34 134.440 9.292 24.216 1.00 0.44 C ATOM 583 O ASP A 34 134.740 10.242 24.938 1.00 0.47 O ATOM 584 CB ASP A 34 134.178 9.882 21.794 1.00 0.75 C ATOM 585 CG ASP A 34 134.612 11.320 21.555 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.020 11.993 22.526 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.542 11.773 20.393 1.00 1.49 O ATOM 0 H ASP A 34 134.620 7.444 21.693 1.00 0.49 H new ATOM 0 HA ASP A 34 136.045 9.618 22.834 1.00 0.54 H new ATOM 0 HB2 ASP A 34 134.207 9.337 20.850 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.143 9.872 22.136 1.00 0.75 H new ATOM 592 N ASN A 35 133.578 8.330 24.578 1.00 0.53 N ATOM 593 CA ASN A 35 132.901 8.310 25.880 1.00 0.57 C ATOM 594 C ASN A 35 133.811 8.801 27.007 1.00 0.47 C ATOM 595 O ASN A 35 133.368 9.543 27.885 1.00 0.58 O ATOM 596 CB ASN A 35 132.405 6.894 26.193 1.00 0.74 C ATOM 597 CG ASN A 35 130.891 6.794 26.165 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.255 6.562 27.193 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.305 6.968 24.985 1.00 1.32 N ATOM 0 H ASN A 35 133.332 7.545 23.975 1.00 0.53 H new ATOM 0 HA ASN A 35 132.053 8.992 25.818 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.826 6.196 25.470 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.769 6.593 27.176 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.290 6.911 24.906 1.00 1.32 H new ATOM 0 HD22 ASN A 35 130.871 7.158 24.158 1.00 1.32 H new ATOM 606 N LEU A 36 135.083 8.391 26.970 1.00 0.42 N ATOM 607 CA LEU A 36 136.054 8.802 27.983 1.00 0.47 C ATOM 608 C LEU A 36 136.057 10.324 28.141 1.00 0.42 C ATOM 609 O LEU A 36 135.886 10.837 29.248 1.00 0.53 O ATOM 610 CB LEU A 36 137.460 8.311 27.615 1.00 0.66 C ATOM 611 CG LEU A 36 137.599 6.796 27.429 1.00 0.85 C ATOM 612 CD1 LEU A 36 139.058 6.416 27.218 1.00 1.04 C ATOM 613 CD2 LEU A 36 137.020 6.052 28.625 1.00 1.66 C ATOM 0 H LEU A 36 135.461 7.776 26.250 1.00 0.42 H new ATOM 0 HA LEU A 36 135.763 8.352 28.932 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.769 8.803 26.693 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.153 8.630 28.394 1.00 0.66 H new ATOM 0 HG LEU A 36 137.036 6.507 26.542 1.00 0.85 H new ATOM 0 HD11 LEU A 36 139.138 5.337 27.088 1.00 1.04 H new ATOM 0 HD12 LEU A 36 139.440 6.918 26.329 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.643 6.721 28.086 1.00 1.04 H new ATOM 0 HD21 LEU A 36 137.129 4.978 28.473 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.553 6.346 29.529 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.963 6.298 28.730 1.00 1.66 H new ATOM 625 N LEU A 37 136.236 11.038 27.026 1.00 0.36 N ATOM 626 CA LEU A 37 136.240 12.501 27.044 1.00 0.40 C ATOM 627 C LEU A 37 135.135 13.064 26.141 1.00 0.32 C ATOM 628 O LEU A 37 135.402 13.824 25.206 1.00 0.42 O ATOM 629 CB LEU A 37 137.613 13.035 26.614 1.00 0.56 C ATOM 630 CG LEU A 37 138.190 12.425 25.330 1.00 0.55 C ATOM 631 CD1 LEU A 37 139.015 13.457 24.574 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.032 11.197 25.652 1.00 0.63 C ATOM 0 H LEU A 37 136.379 10.627 26.103 1.00 0.36 H new ATOM 0 HA LEU A 37 136.041 12.831 28.064 1.00 0.40 H new ATOM 0 HB2 LEU A 37 137.537 14.114 26.480 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.320 12.863 27.426 1.00 0.56 H new ATOM 0 HG LEU A 37 137.361 12.114 24.694 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.417 13.007 23.666 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.383 14.305 24.310 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.836 13.798 25.204 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.433 10.778 24.729 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.854 11.482 26.308 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.412 10.451 26.150 1.00 0.63 H new ATOM 644 N VAL A 38 133.892 12.681 26.443 1.00 0.29 N ATOM 645 CA VAL A 38 132.719 13.120 25.683 1.00 0.41 C ATOM 646 C VAL A 38 131.489 13.200 26.595 1.00 0.38 C ATOM 647 O VAL A 38 131.586 12.928 27.795 1.00 0.61 O ATOM 648 CB VAL A 38 132.441 12.184 24.476 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.447 11.085 24.830 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.955 12.987 23.276 1.00 0.99 C ATOM 0 H VAL A 38 133.670 12.059 27.220 1.00 0.29 H new ATOM 0 HA VAL A 38 132.930 14.114 25.290 1.00 0.41 H new ATOM 0 HB VAL A 38 133.381 11.699 24.212 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.279 10.452 23.959 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.846 10.482 25.646 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.503 11.534 25.139 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.766 12.314 22.440 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.035 13.510 23.537 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.717 13.713 22.992 1.00 0.99 H new ATOM 660 N ARG A 39 130.330 13.548 26.029 1.00 0.44 N ATOM 661 CA ARG A 39 129.097 13.628 26.806 1.00 0.47 C ATOM 662 C ARG A 39 128.506 12.230 26.996 1.00 0.53 C ATOM 663 O ARG A 39 127.981 11.634 26.053 1.00 0.86 O ATOM 664 CB ARG A 39 128.085 14.545 26.104 1.00 0.59 C ATOM 665 CG ARG A 39 126.665 14.439 26.646 1.00 0.75 C ATOM 666 CD ARG A 39 126.566 14.947 28.077 1.00 0.97 C ATOM 667 NE ARG A 39 126.843 16.381 28.175 1.00 0.93 N ATOM 668 CZ ARG A 39 126.938 17.046 29.329 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.771 16.416 30.490 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.200 18.349 29.322 1.00 1.48 N ATOM 0 H ARG A 39 130.223 13.777 25.041 1.00 0.44 H new ATOM 0 HA ARG A 39 129.324 14.049 27.786 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.421 15.578 26.198 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.074 14.308 25.040 1.00 0.59 H new ATOM 0 HG2 ARG A 39 125.990 15.011 26.010 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.337 13.400 26.606 1.00 0.75 H new ATOM 0 HD2 ARG A 39 125.568 14.744 28.464 1.00 0.97 H new ATOM 0 HD3 ARG A 39 127.269 14.399 28.705 1.00 0.97 H new ATOM 0 HE ARG A 39 126.971 16.904 27.309 1.00 0.93 H new ATOM 0 HH11 ARG A 39 126.569 15.416 30.503 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.846 16.933 31.366 1.00 1.27 H new ATOM 0 HH21 ARG A 39 127.328 18.839 28.436 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.273 18.859 30.202 1.00 1.48 H new ATOM 684 N VAL A 40 128.607 11.708 28.219 1.00 0.46 N ATOM 685 CA VAL A 40 128.093 10.374 28.531 1.00 0.53 C ATOM 686 C VAL A 40 126.679 10.437 29.109 1.00 0.53 C ATOM 687 O VAL A 40 126.228 11.489 29.568 1.00 0.66 O ATOM 688 CB VAL A 40 129.014 9.625 29.521 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.375 9.362 28.891 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.163 10.401 30.824 1.00 0.78 C ATOM 0 H VAL A 40 129.039 12.188 29.009 1.00 0.46 H new ATOM 0 HA VAL A 40 128.067 9.826 27.589 1.00 0.53 H new ATOM 0 HB VAL A 40 128.552 8.666 29.754 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.010 8.834 29.603 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.250 8.753 27.995 1.00 0.71 H new ATOM 0 HG13 VAL A 40 130.841 10.310 28.623 1.00 0.71 H new ATOM 0 HG21 VAL A 40 129.816 9.851 31.502 1.00 0.78 H new ATOM 0 HG22 VAL A 40 129.596 11.380 30.617 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.184 10.528 31.286 1.00 0.78 H new ATOM 700 N MET A 41 125.985 9.297 29.082 1.00 0.53 N ATOM 701 CA MET A 41 124.622 9.208 29.601 1.00 0.60 C ATOM 702 C MET A 41 124.452 7.972 30.480 1.00 0.86 C ATOM 703 O MET A 41 125.074 7.858 31.536 1.00 1.20 O ATOM 704 CB MET A 41 123.612 9.173 28.448 1.00 0.75 C ATOM 705 CG MET A 41 123.929 8.136 27.380 1.00 0.56 C ATOM 706 SD MET A 41 122.665 8.052 26.096 1.00 0.67 S ATOM 707 CE MET A 41 122.937 9.606 25.248 1.00 0.54 C ATOM 0 H MET A 41 126.347 8.421 28.705 1.00 0.53 H new ATOM 0 HA MET A 41 124.436 10.093 30.210 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.620 8.971 28.853 1.00 0.75 H new ATOM 0 HB3 MET A 41 123.572 10.158 27.983 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.890 8.373 26.923 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.031 7.157 27.849 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.384 9.609 24.308 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.592 10.428 25.875 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.001 9.728 25.044 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 135.317 4.266 -27.918 1.00 0.61 N ATOM 719 CA GLY B 1 136.710 3.833 -28.223 1.00 0.61 C ATOM 720 C GLY B 1 137.160 2.663 -27.366 1.00 0.52 C ATOM 721 O GLY B 1 137.007 1.506 -27.760 1.00 0.60 O ATOM 0 H1 GLY B 1 135.060 5.066 -28.530 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.663 3.476 -28.089 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.255 4.558 -26.922 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.778 3.555 -29.275 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.389 4.672 -28.071 1.00 0.61 H new ATOM 727 N SER B 2 137.715 2.967 -26.193 1.00 0.50 N ATOM 728 CA SER B 2 138.192 1.934 -25.272 1.00 0.49 C ATOM 729 C SER B 2 137.401 1.934 -23.964 1.00 0.47 C ATOM 730 O SER B 2 137.818 1.306 -22.989 1.00 0.63 O ATOM 731 CB SER B 2 139.684 2.128 -24.985 1.00 0.55 C ATOM 732 OG SER B 2 140.431 2.198 -26.187 1.00 0.67 O ATOM 0 H SER B 2 137.846 3.921 -25.857 1.00 0.50 H new ATOM 0 HA SER B 2 138.040 0.968 -25.753 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.831 3.041 -24.409 1.00 0.55 H new ATOM 0 HB3 SER B 2 140.050 1.303 -24.374 1.00 0.55 H new ATOM 0 HG SER B 2 141.380 2.324 -25.976 1.00 0.67 H new ATOM 738 N LEU B 3 136.246 2.609 -23.950 1.00 0.48 N ATOM 739 CA LEU B 3 135.396 2.644 -22.763 1.00 0.55 C ATOM 740 C LEU B 3 134.550 1.376 -22.719 1.00 0.65 C ATOM 741 O LEU B 3 133.322 1.419 -22.824 1.00 1.02 O ATOM 742 CB LEU B 3 134.502 3.890 -22.769 1.00 0.62 C ATOM 743 CG LEU B 3 134.998 5.048 -21.901 1.00 0.61 C ATOM 744 CD1 LEU B 3 136.108 5.810 -22.609 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.847 5.979 -21.549 1.00 0.76 C ATOM 0 H LEU B 3 135.883 3.135 -24.745 1.00 0.48 H new ATOM 0 HA LEU B 3 136.024 2.693 -21.873 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.403 4.242 -23.796 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.505 3.605 -22.432 1.00 0.62 H new ATOM 0 HG LEU B 3 135.403 4.637 -20.976 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.448 6.630 -21.976 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.941 5.137 -22.809 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.731 6.211 -23.550 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.217 6.797 -20.931 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.413 6.382 -22.464 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.086 5.425 -21.000 1.00 0.76 H new ATOM 757 N THR B 4 135.233 0.242 -22.588 1.00 0.46 N ATOM 758 CA THR B 4 134.587 -1.061 -22.557 1.00 0.55 C ATOM 759 C THR B 4 135.380 -2.016 -21.655 1.00 0.42 C ATOM 760 O THR B 4 136.124 -1.568 -20.786 1.00 0.43 O ATOM 761 CB THR B 4 134.466 -1.612 -23.990 1.00 0.72 C ATOM 762 OG1 THR B 4 135.529 -1.146 -24.812 1.00 0.70 O ATOM 763 CG2 THR B 4 133.164 -1.232 -24.665 1.00 0.90 C ATOM 0 H THR B 4 136.249 0.204 -22.501 1.00 0.46 H new ATOM 0 HA THR B 4 133.583 -0.965 -22.143 1.00 0.55 H new ATOM 0 HB THR B 4 134.505 -2.696 -23.882 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.429 -1.512 -25.715 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.140 -1.650 -25.671 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.327 -1.626 -24.088 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.087 -0.146 -24.722 1.00 0.90 H new ATOM 771 N TYR B 5 135.186 -3.322 -21.835 1.00 0.50 N ATOM 772 CA TYR B 5 135.848 -4.356 -21.023 1.00 0.45 C ATOM 773 C TYR B 5 137.310 -4.043 -20.674 1.00 0.41 C ATOM 774 O TYR B 5 137.718 -4.241 -19.529 1.00 0.46 O ATOM 775 CB TYR B 5 135.774 -5.700 -21.753 1.00 0.57 C ATOM 776 CG TYR B 5 136.288 -6.885 -20.955 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.076 -6.982 -19.583 1.00 0.69 C ATOM 778 CD2 TYR B 5 136.979 -7.914 -21.583 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.537 -8.070 -18.865 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.444 -9.003 -20.871 1.00 0.92 C ATOM 781 CZ TYR B 5 137.220 -9.077 -19.513 1.00 0.67 C ATOM 782 OH TYR B 5 137.677 -10.163 -18.801 1.00 0.84 O ATOM 0 H TYR B 5 134.564 -3.700 -22.550 1.00 0.50 H new ATOM 0 HA TYR B 5 135.311 -4.390 -20.075 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.738 -5.890 -22.032 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.345 -5.627 -22.678 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.543 -6.195 -19.071 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.156 -7.862 -22.647 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.363 -8.131 -17.801 1.00 0.69 H new ATOM 0 HE2 TYR B 5 137.980 -9.793 -21.376 1.00 0.92 H new ATOM 0 HH TYR B 5 138.136 -10.782 -19.407 1.00 0.84 H new ATOM 792 N GLU B 6 138.107 -3.577 -21.642 1.00 0.49 N ATOM 793 CA GLU B 6 139.520 -3.277 -21.383 1.00 0.50 C ATOM 794 C GLU B 6 139.704 -2.029 -20.509 1.00 0.38 C ATOM 795 O GLU B 6 140.784 -1.814 -19.956 1.00 0.44 O ATOM 796 CB GLU B 6 140.275 -3.099 -22.703 1.00 0.62 C ATOM 797 CG GLU B 6 140.767 -4.407 -23.308 1.00 0.68 C ATOM 798 CD GLU B 6 142.108 -4.261 -24.003 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.146 -4.328 -23.310 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.121 -4.082 -25.239 1.00 1.14 O ATOM 0 H GLU B 6 137.803 -3.401 -22.600 1.00 0.49 H new ATOM 0 HA GLU B 6 139.929 -4.125 -20.834 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.623 -2.600 -23.420 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.129 -2.442 -22.537 1.00 0.62 H new ATOM 0 HG2 GLU B 6 140.849 -5.158 -22.522 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.030 -4.772 -24.023 1.00 0.68 H new ATOM 807 N GLU B 7 138.651 -1.219 -20.373 1.00 0.32 N ATOM 808 CA GLU B 7 138.715 -0.010 -19.553 1.00 0.29 C ATOM 809 C GLU B 7 138.587 -0.350 -18.071 1.00 0.27 C ATOM 810 O GLU B 7 139.377 0.122 -17.251 1.00 0.43 O ATOM 811 CB GLU B 7 137.617 0.981 -19.953 1.00 0.43 C ATOM 812 CG GLU B 7 138.073 2.434 -19.943 1.00 0.57 C ATOM 813 CD GLU B 7 138.068 3.041 -18.552 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.995 3.502 -18.108 1.00 1.00 O ATOM 815 OE2 GLU B 7 139.138 3.056 -17.907 1.00 0.80 O ATOM 0 H GLU B 7 137.748 -1.379 -20.819 1.00 0.32 H new ATOM 0 HA GLU B 7 139.686 0.454 -19.725 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.258 0.729 -20.951 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.773 0.869 -19.272 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.079 2.498 -20.359 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.422 3.019 -20.592 1.00 0.57 H new ATOM 822 N VAL B 8 137.593 -1.178 -17.731 1.00 0.35 N ATOM 823 CA VAL B 8 137.370 -1.584 -16.346 1.00 0.37 C ATOM 824 C VAL B 8 138.519 -2.454 -15.829 1.00 0.28 C ATOM 825 O VAL B 8 138.854 -2.406 -14.645 1.00 0.40 O ATOM 826 CB VAL B 8 136.029 -2.340 -16.185 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.117 -3.750 -16.755 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.601 -2.374 -14.724 1.00 0.78 C ATOM 0 H VAL B 8 136.933 -1.578 -18.398 1.00 0.35 H new ATOM 0 HA VAL B 8 137.327 -0.671 -15.752 1.00 0.37 H new ATOM 0 HB VAL B 8 135.271 -1.799 -16.752 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.159 -4.255 -16.627 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.361 -3.699 -17.816 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.894 -4.307 -16.231 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.656 -2.910 -14.634 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.364 -2.881 -14.133 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.476 -1.355 -14.358 1.00 0.78 H new ATOM 838 N LEU B 9 139.112 -3.255 -16.722 1.00 0.35 N ATOM 839 CA LEU B 9 140.218 -4.137 -16.349 1.00 0.49 C ATOM 840 C LEU B 9 141.350 -3.354 -15.680 1.00 0.52 C ATOM 841 O LEU B 9 141.732 -3.660 -14.551 1.00 0.74 O ATOM 842 CB LEU B 9 140.748 -4.892 -17.574 1.00 0.65 C ATOM 843 CG LEU B 9 140.606 -6.416 -17.503 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.747 -7.035 -18.887 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.634 -7.002 -16.544 1.00 0.76 C ATOM 0 H LEU B 9 138.844 -3.309 -17.705 1.00 0.35 H new ATOM 0 HA LEU B 9 139.834 -4.862 -15.631 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.223 -4.533 -18.459 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.801 -4.646 -17.707 1.00 0.65 H new ATOM 0 HG LEU B 9 139.611 -6.651 -17.126 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.643 -8.118 -18.814 1.00 0.85 H new ATOM 0 HD12 LEU B 9 139.972 -6.640 -19.543 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.728 -6.792 -19.296 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.519 -8.085 -16.505 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.637 -6.755 -16.891 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.482 -6.585 -15.548 1.00 0.76 H new ATOM 857 N GLN B 10 141.888 -2.348 -16.381 1.00 0.41 N ATOM 858 CA GLN B 10 142.982 -1.528 -15.849 1.00 0.48 C ATOM 859 C GLN B 10 142.604 -0.832 -14.536 1.00 0.42 C ATOM 860 O GLN B 10 143.483 -0.460 -13.757 1.00 0.48 O ATOM 861 CB GLN B 10 143.406 -0.479 -16.882 1.00 0.58 C ATOM 862 CG GLN B 10 144.376 -1.008 -17.928 1.00 0.66 C ATOM 863 CD GLN B 10 145.827 -0.883 -17.500 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.406 -1.822 -16.953 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.425 0.279 -17.748 1.00 0.83 N ATOM 0 H GLN B 10 141.583 -2.083 -17.318 1.00 0.41 H new ATOM 0 HA GLN B 10 143.813 -2.201 -15.639 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.517 -0.096 -17.384 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.867 0.362 -16.364 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.150 -2.055 -18.130 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.229 -0.465 -18.861 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.908 1.031 -18.203 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.400 0.418 -17.483 1.00 0.83 H new ATOM 874 N GLU B 11 141.302 -0.668 -14.283 1.00 0.40 N ATOM 875 CA GLU B 11 140.838 -0.030 -13.050 1.00 0.42 C ATOM 876 C GLU B 11 141.023 -0.961 -11.846 1.00 0.37 C ATOM 877 O GLU B 11 141.130 -0.499 -10.711 1.00 0.54 O ATOM 878 CB GLU B 11 139.367 0.375 -13.177 1.00 0.48 C ATOM 879 CG GLU B 11 139.155 1.658 -13.966 1.00 0.62 C ATOM 880 CD GLU B 11 137.718 1.837 -14.417 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.853 2.103 -13.555 1.00 1.53 O ATOM 882 OE2 GLU B 11 137.456 1.712 -15.632 1.00 1.61 O ATOM 0 H GLU B 11 140.556 -0.966 -14.912 1.00 0.40 H new ATOM 0 HA GLU B 11 141.439 0.865 -12.889 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.817 -0.433 -13.659 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.945 0.498 -12.179 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.448 2.510 -13.352 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.808 1.655 -14.839 1.00 0.62 H new ATOM 889 N LEU B 12 141.089 -2.270 -12.109 1.00 0.32 N ATOM 890 CA LEU B 12 141.290 -3.258 -11.051 1.00 0.30 C ATOM 891 C LEU B 12 142.691 -3.114 -10.460 1.00 0.28 C ATOM 892 O LEU B 12 142.847 -2.965 -9.247 1.00 0.36 O ATOM 893 CB LEU B 12 141.079 -4.680 -11.587 1.00 0.32 C ATOM 894 CG LEU B 12 139.859 -5.419 -11.025 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.132 -5.904 -9.608 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.625 -4.527 -11.059 1.00 0.54 C ATOM 0 H LEU B 12 141.006 -2.667 -13.045 1.00 0.32 H new ATOM 0 HA LEU B 12 140.555 -3.079 -10.266 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.985 -4.631 -12.672 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.971 -5.268 -11.370 1.00 0.32 H new ATOM 0 HG LEU B 12 139.668 -6.288 -11.654 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.254 -6.426 -9.227 1.00 0.62 H new ATOM 0 HD12 LEU B 12 140.984 -6.584 -9.614 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.353 -5.050 -8.967 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.771 -5.072 -10.656 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.804 -3.636 -10.458 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.416 -4.235 -12.088 1.00 0.54 H new ATOM 908 N VAL B 13 143.705 -3.140 -11.330 1.00 0.25 N ATOM 909 CA VAL B 13 145.097 -2.993 -10.900 1.00 0.26 C ATOM 910 C VAL B 13 145.366 -1.591 -10.332 1.00 0.22 C ATOM 911 O VAL B 13 146.341 -1.388 -9.605 1.00 0.26 O ATOM 912 CB VAL B 13 146.083 -3.281 -12.058 1.00 0.33 C ATOM 913 CG1 VAL B 13 146.125 -2.123 -13.047 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.475 -3.580 -11.516 1.00 0.52 C ATOM 0 H VAL B 13 143.587 -3.261 -12.336 1.00 0.25 H new ATOM 0 HA VAL B 13 145.260 -3.728 -10.111 1.00 0.26 H new ATOM 0 HB VAL B 13 145.726 -4.162 -12.592 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.826 -2.355 -13.849 1.00 0.62 H new ATOM 0 HG12 VAL B 13 145.131 -1.967 -13.467 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.448 -1.217 -12.533 1.00 0.62 H new ATOM 0 HG21 VAL B 13 148.153 -3.780 -12.346 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.837 -2.722 -10.950 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.432 -4.453 -10.864 1.00 0.52 H new ATOM 924 N LYS B 14 144.481 -0.634 -10.645 1.00 0.24 N ATOM 925 CA LYS B 14 144.613 0.731 -10.143 1.00 0.25 C ATOM 926 C LYS B 14 144.152 0.794 -8.688 1.00 0.22 C ATOM 927 O LYS B 14 144.899 1.232 -7.812 1.00 0.29 O ATOM 928 CB LYS B 14 143.799 1.703 -11.005 1.00 0.34 C ATOM 929 CG LYS B 14 143.914 3.155 -10.564 1.00 0.87 C ATOM 930 CD LYS B 14 144.204 4.077 -11.740 1.00 0.75 C ATOM 931 CE LYS B 14 144.975 5.313 -11.303 1.00 0.70 C ATOM 932 NZ LYS B 14 144.909 6.401 -12.319 1.00 0.72 N ATOM 0 H LYS B 14 143.669 -0.785 -11.243 1.00 0.24 H new ATOM 0 HA LYS B 14 145.661 1.026 -10.196 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.129 1.620 -12.041 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.750 1.407 -10.979 1.00 0.34 H new ATOM 0 HG2 LYS B 14 142.988 3.463 -10.079 1.00 0.87 H new ATOM 0 HG3 LYS B 14 144.708 3.249 -9.823 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.777 3.537 -12.494 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.266 4.378 -12.207 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.573 5.676 -10.357 1.00 0.70 H new ATOM 0 HE3 LYS B 14 146.017 5.046 -11.125 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.447 7.224 -11.981 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.316 6.065 -13.215 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.917 6.674 -12.471 1.00 0.72 H new ATOM 946 N HIS B 15 142.923 0.332 -8.439 1.00 0.24 N ATOM 947 CA HIS B 15 142.364 0.311 -7.087 1.00 0.27 C ATOM 948 C HIS B 15 143.201 -0.589 -6.180 1.00 0.25 C ATOM 949 O HIS B 15 143.381 -0.296 -4.997 1.00 0.45 O ATOM 950 CB HIS B 15 140.918 -0.193 -7.107 1.00 0.33 C ATOM 951 CG HIS B 15 139.933 0.810 -7.621 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.519 1.905 -6.892 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.275 0.875 -8.801 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.647 2.599 -7.602 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.483 1.995 -8.764 1.00 0.76 N ATOM 0 H HIS B 15 142.297 -0.032 -9.157 1.00 0.24 H new ATOM 0 HA HIS B 15 142.380 1.330 -6.700 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.865 -1.090 -7.725 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.631 -0.484 -6.097 1.00 0.33 H new ATOM 0 HD2 HIS B 15 139.358 0.176 -9.620 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.153 3.506 -7.285 1.00 0.89 H new ATOM 0 HE2 HIS B 15 137.867 2.310 -9.514 1.00 0.76 H new ATOM 964 N LYS B 16 143.715 -1.681 -6.752 1.00 0.21 N ATOM 965 CA LYS B 16 144.542 -2.626 -6.007 1.00 0.27 C ATOM 966 C LYS B 16 145.852 -1.974 -5.568 1.00 0.36 C ATOM 967 O LYS B 16 146.182 -1.979 -4.381 1.00 0.69 O ATOM 968 CB LYS B 16 144.829 -3.872 -6.851 1.00 0.35 C ATOM 969 CG LYS B 16 143.659 -4.841 -6.923 1.00 0.46 C ATOM 970 CD LYS B 16 143.805 -5.808 -8.088 1.00 0.49 C ATOM 971 CE LYS B 16 143.942 -7.246 -7.610 1.00 0.53 C ATOM 972 NZ LYS B 16 145.356 -7.712 -7.646 1.00 0.61 N ATOM 0 H LYS B 16 143.571 -1.930 -7.731 1.00 0.21 H new ATOM 0 HA LYS B 16 143.991 -2.926 -5.116 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.096 -3.563 -7.861 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.694 -4.390 -6.437 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.592 -5.401 -5.990 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.729 -4.282 -7.027 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.938 -5.723 -8.743 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.679 -5.536 -8.680 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.559 -7.328 -6.593 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.330 -7.896 -8.235 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.406 -8.696 -7.313 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.715 -7.658 -8.621 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.936 -7.108 -7.030 1.00 0.61 H new ATOM 986 N GLU B 17 146.590 -1.405 -6.527 1.00 0.30 N ATOM 987 CA GLU B 17 147.861 -0.740 -6.232 1.00 0.38 C ATOM 988 C GLU B 17 147.658 0.463 -5.311 1.00 0.32 C ATOM 989 O GLU B 17 148.490 0.731 -4.442 1.00 0.40 O ATOM 990 CB GLU B 17 148.540 -0.292 -7.530 1.00 0.51 C ATOM 991 CG GLU B 17 149.987 0.139 -7.347 1.00 0.80 C ATOM 992 CD GLU B 17 150.799 0.011 -8.622 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.780 0.957 -9.437 1.00 1.49 O ATOM 994 OE2 GLU B 17 151.455 -1.037 -8.805 1.00 1.47 O ATOM 0 H GLU B 17 146.328 -1.392 -7.513 1.00 0.30 H new ATOM 0 HA GLU B 17 148.501 -1.458 -5.720 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.502 -1.109 -8.250 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.975 0.536 -7.958 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.014 1.174 -7.006 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.447 -0.466 -6.566 1.00 0.80 H new ATOM 1001 N LEU B 18 146.544 1.178 -5.497 1.00 0.32 N ATOM 1002 CA LEU B 18 146.234 2.342 -4.669 1.00 0.34 C ATOM 1003 C LEU B 18 146.123 1.934 -3.203 1.00 0.35 C ATOM 1004 O LEU B 18 146.691 2.587 -2.325 1.00 0.66 O ATOM 1005 CB LEU B 18 144.931 3.004 -5.131 1.00 0.51 C ATOM 1006 CG LEU B 18 145.106 4.160 -6.120 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.819 4.401 -6.895 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.540 5.426 -5.391 1.00 0.75 C ATOM 0 H LEU B 18 145.846 0.970 -6.211 1.00 0.32 H new ATOM 0 HA LEU B 18 147.045 3.063 -4.775 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.299 2.245 -5.592 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.398 3.373 -4.255 1.00 0.51 H new ATOM 0 HG LEU B 18 145.887 3.889 -6.831 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.963 5.226 -7.592 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.553 3.500 -7.448 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.017 4.650 -6.200 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.659 6.237 -6.110 1.00 0.75 H new ATOM 0 HD22 LEU B 18 144.783 5.701 -4.657 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.489 5.247 -4.885 1.00 0.75 H new ATOM 1020 N LEU B 19 145.402 0.839 -2.950 1.00 0.45 N ATOM 1021 CA LEU B 19 145.229 0.326 -1.595 1.00 0.47 C ATOM 1022 C LEU B 19 146.549 -0.216 -1.046 1.00 0.33 C ATOM 1023 O LEU B 19 146.811 -0.124 0.154 1.00 0.45 O ATOM 1024 CB LEU B 19 144.164 -0.775 -1.571 1.00 0.63 C ATOM 1025 CG LEU B 19 142.748 -0.302 -1.234 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.718 -1.320 -1.703 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.614 -0.050 0.261 1.00 0.96 C ATOM 0 H LEU B 19 144.929 0.292 -3.669 1.00 0.45 H new ATOM 0 HA LEU B 19 144.901 1.151 -0.962 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.145 -1.262 -2.546 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.461 -1.530 -0.843 1.00 0.63 H new ATOM 0 HG LEU B 19 142.563 0.636 -1.758 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.717 -0.966 -1.455 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.800 -1.449 -2.782 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.898 -2.274 -1.209 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.601 0.286 0.484 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.819 -0.972 0.805 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.326 0.717 0.566 1.00 0.96 H new ATOM 1039 N ARG B 20 147.379 -0.780 -1.932 1.00 0.35 N ATOM 1040 CA ARG B 20 148.669 -1.330 -1.525 1.00 0.49 C ATOM 1041 C ARG B 20 149.560 -0.234 -0.950 1.00 0.40 C ATOM 1042 O ARG B 20 149.956 -0.306 0.215 1.00 0.49 O ATOM 1043 CB ARG B 20 149.361 -2.012 -2.710 1.00 0.76 C ATOM 1044 CG ARG B 20 148.799 -3.388 -3.030 1.00 0.85 C ATOM 1045 CD ARG B 20 149.854 -4.298 -3.639 1.00 0.96 C ATOM 1046 NE ARG B 20 149.539 -5.713 -3.435 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.237 -6.541 -2.647 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.304 -6.111 -1.976 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.860 -7.810 -2.530 1.00 1.59 N ATOM 0 H ARG B 20 147.178 -0.865 -2.928 1.00 0.35 H new ATOM 0 HA ARG B 20 148.494 -2.076 -0.750 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.267 -1.376 -3.590 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.426 -2.104 -2.495 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.408 -3.842 -2.120 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.962 -3.288 -3.721 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.936 -4.095 -4.707 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.825 -4.075 -3.197 1.00 0.96 H new ATOM 0 HE ARG B 20 148.732 -6.095 -3.927 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.600 -5.138 -2.058 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.825 -6.754 -1.380 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.043 -8.148 -3.039 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.387 -8.446 -1.931 1.00 1.59 H new ATOM 1063 N ARG B 21 149.877 0.781 -1.764 1.00 0.35 N ATOM 1064 CA ARG B 21 150.724 1.888 -1.320 1.00 0.35 C ATOM 1065 C ARG B 21 150.195 2.520 -0.034 1.00 0.34 C ATOM 1066 O ARG B 21 150.978 2.878 0.841 1.00 0.47 O ATOM 1067 CB ARG B 21 150.829 2.950 -2.417 1.00 0.45 C ATOM 1068 CG ARG B 21 152.203 3.595 -2.509 1.00 0.70 C ATOM 1069 CD ARG B 21 152.372 4.368 -3.808 1.00 0.98 C ATOM 1070 NE ARG B 21 152.166 5.806 -3.625 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.580 6.737 -4.489 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.227 6.391 -5.599 1.00 2.12 N ATOM 1073 NH2 ARG B 21 152.345 8.021 -4.241 1.00 1.53 N ATOM 0 H ARG B 21 149.559 0.856 -2.730 1.00 0.35 H new ATOM 0 HA ARG B 21 151.714 1.482 -1.114 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.585 2.494 -3.377 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.084 3.725 -2.234 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.347 4.267 -1.663 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.972 2.826 -2.440 1.00 0.70 H new ATOM 0 HD2 ARG B 21 153.372 4.193 -4.206 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.665 3.992 -4.547 1.00 0.98 H new ATOM 0 HE ARG B 21 151.676 6.116 -2.786 1.00 0.97 H new ATOM 0 HH11 ARG B 21 153.411 5.407 -5.797 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.539 7.109 -6.252 1.00 2.12 H new ATOM 0 HH21 ARG B 21 151.849 8.294 -3.392 1.00 1.53 H new ATOM 0 HH22 ARG B 21 152.660 8.734 -4.899 1.00 1.53 H new ATOM 1087 N LYS B 22 148.867 2.660 0.070 1.00 0.30 N ATOM 1088 CA LYS B 22 148.240 3.254 1.256 1.00 0.36 C ATOM 1089 C LYS B 22 148.927 2.779 2.539 1.00 0.31 C ATOM 1090 O LYS B 22 149.280 3.590 3.397 1.00 0.36 O ATOM 1091 CB LYS B 22 146.748 2.913 1.301 1.00 0.47 C ATOM 1092 CG LYS B 22 145.856 4.010 0.743 1.00 0.69 C ATOM 1093 CD LYS B 22 144.398 3.575 0.685 1.00 0.86 C ATOM 1094 CE LYS B 22 143.791 3.451 2.076 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.480 4.781 2.674 1.00 0.70 N ATOM 0 H LYS B 22 148.208 2.370 -0.652 1.00 0.30 H new ATOM 0 HA LYS B 22 148.353 4.336 1.188 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.576 1.995 0.738 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.461 2.712 2.333 1.00 0.47 H new ATOM 0 HG2 LYS B 22 145.945 4.902 1.363 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.195 4.281 -0.257 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.826 4.296 0.101 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.324 2.618 0.169 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.879 2.857 2.021 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.482 2.915 2.726 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.053 4.648 3.613 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.356 5.333 2.767 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.813 5.290 2.060 1.00 0.70 H new ATOM 1109 N ASP B 23 149.141 1.464 2.647 1.00 0.32 N ATOM 1110 CA ASP B 23 149.816 0.888 3.807 1.00 0.32 C ATOM 1111 C ASP B 23 151.319 1.157 3.730 1.00 0.30 C ATOM 1112 O ASP B 23 151.919 1.658 4.677 1.00 0.37 O ATOM 1113 CB ASP B 23 149.553 -0.619 3.890 1.00 0.36 C ATOM 1114 CG ASP B 23 149.762 -1.166 5.290 1.00 0.75 C ATOM 1115 OD1 ASP B 23 150.929 -1.402 5.668 1.00 1.11 O ATOM 1116 OD2 ASP B 23 148.758 -1.357 6.008 1.00 1.15 O ATOM 0 H ASP B 23 148.856 0.782 1.944 1.00 0.32 H new ATOM 0 HA ASP B 23 149.419 1.358 4.706 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.531 -0.825 3.571 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.214 -1.139 3.197 1.00 0.36 H new ATOM 1121 N THR B 24 151.919 0.814 2.590 1.00 0.28 N ATOM 1122 CA THR B 24 153.354 1.017 2.372 1.00 0.29 C ATOM 1123 C THR B 24 153.794 2.427 2.793 1.00 0.27 C ATOM 1124 O THR B 24 154.809 2.587 3.469 1.00 0.32 O ATOM 1125 CB THR B 24 153.703 0.783 0.898 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.267 -0.498 0.472 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.186 0.887 0.607 1.00 0.55 C ATOM 0 H THR B 24 151.432 0.392 1.799 1.00 0.28 H new ATOM 0 HA THR B 24 153.888 0.297 2.991 1.00 0.29 H new ATOM 0 HB THR B 24 153.188 1.574 0.353 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.498 -0.625 -0.472 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.362 0.711 -0.454 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.540 1.883 0.873 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.725 0.142 1.193 1.00 0.55 H new ATOM 1135 N HIS B 25 153.027 3.440 2.377 1.00 0.26 N ATOM 1136 CA HIS B 25 153.335 4.837 2.696 1.00 0.29 C ATOM 1137 C HIS B 25 153.285 5.106 4.199 1.00 0.31 C ATOM 1138 O HIS B 25 154.174 5.765 4.738 1.00 0.41 O ATOM 1139 CB HIS B 25 152.370 5.774 1.963 1.00 0.34 C ATOM 1140 CG HIS B 25 152.984 7.079 1.556 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.465 8.001 2.462 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.188 7.617 0.330 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.936 9.050 1.811 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.781 8.841 0.517 1.00 0.74 N ATOM 0 H HIS B 25 152.184 3.317 1.816 1.00 0.26 H new ATOM 0 HA HIS B 25 154.354 5.030 2.360 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.992 5.268 1.074 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.512 5.972 2.606 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.932 7.167 -0.618 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.373 9.929 2.261 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.057 9.485 -0.224 1.00 0.74 H new ATOM 1153 N ILE B 26 152.263 4.598 4.889 1.00 0.29 N ATOM 1154 CA ILE B 26 152.181 4.808 6.331 1.00 0.35 C ATOM 1155 C ILE B 26 153.340 4.082 7.013 1.00 0.35 C ATOM 1156 O ILE B 26 153.971 4.622 7.920 1.00 0.47 O ATOM 1157 CB ILE B 26 150.826 4.360 6.942 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.539 2.883 6.661 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.696 5.230 6.410 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.415 2.314 7.498 1.00 0.68 C ATOM 0 H ILE B 26 151.501 4.053 4.485 1.00 0.29 H new ATOM 0 HA ILE B 26 152.250 5.882 6.506 1.00 0.35 H new ATOM 0 HB ILE B 26 150.893 4.482 8.023 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.291 2.764 5.606 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.445 2.305 6.843 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.751 4.906 6.846 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.881 6.270 6.677 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.646 5.138 5.325 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.268 1.264 7.245 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.668 2.400 8.555 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.497 2.867 7.299 1.00 0.68 H new ATOM 1172 N ARG B 27 153.618 2.856 6.553 1.00 0.31 N ATOM 1173 CA ARG B 27 154.705 2.042 7.093 1.00 0.37 C ATOM 1174 C ARG B 27 156.064 2.727 6.914 1.00 0.34 C ATOM 1175 O ARG B 27 156.852 2.791 7.860 1.00 0.39 O ATOM 1176 CB ARG B 27 154.717 0.666 6.419 1.00 0.46 C ATOM 1177 CG ARG B 27 155.754 -0.289 6.990 1.00 0.53 C ATOM 1178 CD ARG B 27 156.582 -0.932 5.889 1.00 0.80 C ATOM 1179 NE ARG B 27 157.415 -2.024 6.396 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.552 -3.212 5.796 1.00 0.92 C ATOM 1181 NH1 ARG B 27 156.920 -3.478 4.653 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.330 -4.140 6.342 1.00 1.67 N ATOM 0 H ARG B 27 153.097 2.406 5.800 1.00 0.31 H new ATOM 0 HA ARG B 27 154.531 1.920 8.162 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.729 0.215 6.517 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.904 0.796 5.353 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.410 0.250 7.673 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.256 -1.064 7.572 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.919 -1.312 5.112 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.217 -0.177 5.425 1.00 0.80 H new ATOM 0 HE ARG B 27 157.925 -1.869 7.265 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.322 -2.771 4.224 1.00 1.21 H new ATOM 0 HH12 ARG B 27 157.034 -4.388 4.207 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.820 -3.945 7.215 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.437 -5.047 5.888 1.00 1.67 H new ATOM 1196 N GLU B 28 156.342 3.242 5.707 1.00 0.33 N ATOM 1197 CA GLU B 28 157.617 3.917 5.456 1.00 0.36 C ATOM 1198 C GLU B 28 157.735 5.165 6.331 1.00 0.35 C ATOM 1199 O GLU B 28 158.732 5.342 7.034 1.00 0.44 O ATOM 1200 CB GLU B 28 157.814 4.255 3.966 1.00 0.47 C ATOM 1201 CG GLU B 28 156.727 5.125 3.354 1.00 0.78 C ATOM 1202 CD GLU B 28 157.103 6.597 3.297 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.250 6.908 2.907 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.249 7.441 3.639 1.00 1.79 O ATOM 0 H GLU B 28 155.712 3.204 4.905 1.00 0.33 H new ATOM 0 HA GLU B 28 158.417 3.227 5.724 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.772 4.761 3.847 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.873 3.324 3.403 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.512 4.772 2.345 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.811 5.012 3.933 1.00 0.78 H new ATOM 1211 N LEU B 29 156.704 6.016 6.305 1.00 0.33 N ATOM 1212 CA LEU B 29 156.686 7.234 7.120 1.00 0.38 C ATOM 1213 C LEU B 29 156.656 6.902 8.620 1.00 0.42 C ATOM 1214 O LEU B 29 156.944 7.761 9.456 1.00 0.79 O ATOM 1215 CB LEU B 29 155.473 8.097 6.757 1.00 0.46 C ATOM 1216 CG LEU B 29 155.711 9.609 6.811 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.527 10.231 5.433 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.780 10.260 7.826 1.00 0.59 C ATOM 0 H LEU B 29 155.873 5.884 5.729 1.00 0.33 H new ATOM 0 HA LEU B 29 157.601 7.788 6.910 1.00 0.38 H new ATOM 0 HB2 LEU B 29 155.146 7.832 5.751 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.655 7.849 7.434 1.00 0.46 H new ATOM 0 HG LEU B 29 156.739 9.785 7.128 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.700 11.305 5.493 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.237 9.787 4.736 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.511 10.046 5.083 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.963 11.334 7.851 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.744 10.075 7.541 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.966 9.837 8.813 1.00 0.59 H new ATOM 1230 N GLU B 30 156.335 5.645 8.949 1.00 0.43 N ATOM 1231 CA GLU B 30 156.297 5.192 10.338 1.00 0.45 C ATOM 1232 C GLU B 30 157.714 5.029 10.890 1.00 0.44 C ATOM 1233 O GLU B 30 157.945 5.210 12.087 1.00 0.58 O ATOM 1234 CB GLU B 30 155.535 3.870 10.454 1.00 0.51 C ATOM 1235 CG GLU B 30 154.160 4.015 11.085 1.00 0.58 C ATOM 1236 CD GLU B 30 154.199 3.918 12.598 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.623 4.900 13.246 1.00 1.35 O ATOM 1238 OE2 GLU B 30 153.809 2.861 13.137 1.00 1.26 O ATOM 0 H GLU B 30 156.098 4.924 8.267 1.00 0.43 H new ATOM 0 HA GLU B 30 155.777 5.948 10.926 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.426 3.435 9.461 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.125 3.170 11.046 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.732 4.975 10.797 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.501 3.241 10.692 1.00 0.58 H new ATOM 1245 N ASP B 31 158.663 4.712 10.003 1.00 0.41 N ATOM 1246 CA ASP B 31 160.063 4.552 10.390 1.00 0.55 C ATOM 1247 C ASP B 31 160.750 5.917 10.499 1.00 0.57 C ATOM 1248 O ASP B 31 161.749 6.064 11.205 1.00 0.76 O ATOM 1249 CB ASP B 31 160.798 3.671 9.376 1.00 0.69 C ATOM 1250 CG ASP B 31 160.746 2.201 9.747 1.00 1.28 C ATOM 1251 OD1 ASP B 31 159.792 1.515 9.323 1.00 1.74 O ATOM 1252 OD2 ASP B 31 161.656 1.739 10.467 1.00 1.66 O ATOM 0 H ASP B 31 158.483 4.561 9.010 1.00 0.41 H new ATOM 0 HA ASP B 31 160.097 4.067 11.366 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.356 3.810 8.389 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.838 3.990 9.308 1.00 0.69 H new ATOM 1257 N TYR B 32 160.185 6.916 9.810 1.00 0.49 N ATOM 1258 CA TYR B 32 160.718 8.276 9.841 1.00 0.56 C ATOM 1259 C TYR B 32 160.437 8.925 11.196 1.00 0.56 C ATOM 1260 O TYR B 32 161.284 9.633 11.742 1.00 0.67 O ATOM 1261 CB TYR B 32 160.110 9.120 8.716 1.00 0.60 C ATOM 1262 CG TYR B 32 160.855 9.016 7.402 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.239 9.142 7.351 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.173 8.798 6.211 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.920 9.052 6.153 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.848 8.707 5.008 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.221 8.835 4.985 1.00 1.21 C ATOM 1268 OH TYR B 32 162.897 8.746 3.789 1.00 1.53 O ATOM 0 H TYR B 32 159.357 6.804 9.224 1.00 0.49 H new ATOM 0 HA TYR B 32 161.796 8.225 9.692 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.076 8.812 8.562 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.088 10.164 9.029 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.791 9.313 8.264 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.098 8.698 6.225 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.995 9.151 6.131 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.303 8.537 4.091 1.00 1.17 H new ATOM 0 HH TYR B 32 162.258 8.590 3.063 1.00 1.53 H new ATOM 1278 N ILE B 33 159.244 8.660 11.737 1.00 0.54 N ATOM 1279 CA ILE B 33 158.844 9.198 13.038 1.00 0.64 C ATOM 1280 C ILE B 33 159.394 8.338 14.186 1.00 0.58 C ATOM 1281 O ILE B 33 159.401 8.766 15.341 1.00 0.78 O ATOM 1282 CB ILE B 33 157.304 9.285 13.168 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.683 9.891 11.903 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.916 10.103 14.393 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.273 9.409 11.630 1.00 0.87 C ATOM 0 H ILE B 33 158.538 8.074 11.292 1.00 0.54 H new ATOM 0 HA ILE B 33 159.263 10.202 13.104 1.00 0.64 H new ATOM 0 HB ILE B 33 156.917 8.273 13.289 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.675 10.977 11.996 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.313 9.649 11.047 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.830 10.153 14.468 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.320 9.631 15.289 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.320 11.111 14.300 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.898 9.879 10.721 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.277 8.326 11.504 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.629 9.675 12.468 1.00 0.87 H new ATOM 1297 N ASP B 34 159.871 7.131 13.854 1.00 0.46 N ATOM 1298 CA ASP B 34 160.437 6.223 14.851 1.00 0.50 C ATOM 1299 C ASP B 34 161.749 6.775 15.415 1.00 0.40 C ATOM 1300 O ASP B 34 162.066 6.548 16.581 1.00 0.45 O ATOM 1301 CB ASP B 34 160.675 4.836 14.241 1.00 0.69 C ATOM 1302 CG ASP B 34 160.416 3.707 15.226 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.750 3.865 16.421 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.880 2.662 14.801 1.00 1.46 O ATOM 0 H ASP B 34 159.875 6.764 12.902 1.00 0.46 H new ATOM 0 HA ASP B 34 159.720 6.135 15.667 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.028 4.710 13.373 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.703 4.772 13.885 1.00 0.69 H new ATOM 1309 N ASN B 35 162.499 7.497 14.568 1.00 0.52 N ATOM 1310 CA ASN B 35 163.784 8.099 14.945 1.00 0.58 C ATOM 1311 C ASN B 35 163.771 8.619 16.383 1.00 0.49 C ATOM 1312 O ASN B 35 164.746 8.446 17.116 1.00 0.61 O ATOM 1313 CB ASN B 35 164.138 9.236 13.984 1.00 0.78 C ATOM 1314 CG ASN B 35 165.327 8.899 13.103 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.390 9.510 13.216 1.00 1.65 O ATOM 1316 ND2 ASN B 35 165.155 7.920 12.220 1.00 1.31 N ATOM 0 H ASN B 35 162.230 7.679 13.601 1.00 0.52 H new ATOM 0 HA ASN B 35 164.541 7.318 14.880 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.276 9.459 13.356 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.357 10.137 14.557 1.00 0.78 H new ATOM 0 HD21 ASN B 35 165.921 7.649 11.603 1.00 1.31 H new ATOM 0 HD22 ASN B 35 164.257 7.440 12.160 1.00 1.31 H new ATOM 1323 N LEU B 36 162.659 9.246 16.781 1.00 0.44 N ATOM 1324 CA LEU B 36 162.518 9.777 18.136 1.00 0.51 C ATOM 1325 C LEU B 36 162.847 8.703 19.172 1.00 0.47 C ATOM 1326 O LEU B 36 163.692 8.912 20.044 1.00 0.59 O ATOM 1327 CB LEU B 36 161.097 10.308 18.363 1.00 0.71 C ATOM 1328 CG LEU B 36 160.639 11.399 17.388 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.283 11.951 17.802 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.671 12.517 17.309 1.00 1.64 C ATOM 0 H LEU B 36 161.846 9.397 16.183 1.00 0.44 H new ATOM 0 HA LEU B 36 163.222 10.601 18.251 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.401 9.472 18.299 1.00 0.71 H new ATOM 0 HB3 LEU B 36 161.032 10.701 19.378 1.00 0.71 H new ATOM 0 HG LEU B 36 160.541 10.954 16.398 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.975 12.724 17.098 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.548 11.147 17.803 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.354 12.378 18.802 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.327 13.281 16.612 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.804 12.960 18.296 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.621 12.111 16.962 1.00 1.64 H new ATOM 1342 N LEU B 37 162.181 7.549 19.063 1.00 0.41 N ATOM 1343 CA LEU B 37 162.412 6.440 19.983 1.00 0.48 C ATOM 1344 C LEU B 37 162.887 5.177 19.248 1.00 0.41 C ATOM 1345 O LEU B 37 162.257 4.121 19.335 1.00 0.54 O ATOM 1346 CB LEU B 37 161.146 6.140 20.799 1.00 0.65 C ATOM 1347 CG LEU B 37 159.854 6.008 19.987 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.922 4.991 20.630 1.00 0.80 C ATOM 1349 CD2 LEU B 37 159.165 7.360 19.856 1.00 0.69 C ATOM 0 H LEU B 37 161.479 7.362 18.347 1.00 0.41 H new ATOM 0 HA LEU B 37 163.207 6.744 20.664 1.00 0.48 H new ATOM 0 HB2 LEU B 37 161.303 5.214 21.353 1.00 0.65 H new ATOM 0 HB3 LEU B 37 161.013 6.933 21.535 1.00 0.65 H new ATOM 0 HG LEU B 37 160.109 5.656 18.988 1.00 0.62 H new ATOM 0 HD11 LEU B 37 158.009 4.910 20.040 1.00 0.80 H new ATOM 0 HD12 LEU B 37 159.415 4.020 20.670 1.00 0.80 H new ATOM 0 HD13 LEU B 37 158.673 5.314 21.641 1.00 0.80 H new ATOM 0 HD21 LEU B 37 158.249 7.247 19.276 1.00 0.69 H new ATOM 0 HD22 LEU B 37 158.922 7.742 20.847 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.830 8.060 19.350 1.00 0.69 H new ATOM 1361 N VAL B 38 164.026 5.282 18.560 1.00 0.36 N ATOM 1362 CA VAL B 38 164.613 4.141 17.864 1.00 0.49 C ATOM 1363 C VAL B 38 165.678 3.521 18.765 1.00 0.67 C ATOM 1364 O VAL B 38 166.873 3.539 18.460 1.00 1.35 O ATOM 1365 CB VAL B 38 165.233 4.522 16.494 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.046 3.368 15.919 1.00 1.31 C ATOM 1367 CG2 VAL B 38 164.150 4.929 15.515 1.00 0.89 C ATOM 0 H VAL B 38 164.559 6.147 18.471 1.00 0.36 H new ATOM 0 HA VAL B 38 163.816 3.429 17.653 1.00 0.49 H new ATOM 0 HB VAL B 38 165.902 5.367 16.655 1.00 0.64 H new ATOM 0 HG11 VAL B 38 166.469 3.664 14.959 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.852 3.112 16.607 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.400 2.501 15.780 1.00 1.31 H new ATOM 0 HG21 VAL B 38 164.604 5.193 14.560 1.00 0.89 H new ATOM 0 HG22 VAL B 38 163.459 4.099 15.371 1.00 0.89 H new ATOM 0 HG23 VAL B 38 163.608 5.789 15.909 1.00 0.89 H new ATOM 1377 N ARG B 39 165.212 2.959 19.874 1.00 0.54 N ATOM 1378 CA ARG B 39 166.057 2.292 20.859 1.00 0.62 C ATOM 1379 C ARG B 39 165.215 2.006 22.102 1.00 0.51 C ATOM 1380 O ARG B 39 165.555 2.408 23.216 1.00 0.63 O ATOM 1381 CB ARG B 39 167.275 3.159 21.227 1.00 0.93 C ATOM 1382 CG ARG B 39 168.598 2.655 20.661 1.00 1.15 C ATOM 1383 CD ARG B 39 168.746 1.147 20.811 1.00 1.41 C ATOM 1384 NE ARG B 39 168.311 0.431 19.611 1.00 1.58 N ATOM 1385 CZ ARG B 39 168.054 -0.878 19.573 1.00 1.77 C ATOM 1386 NH1 ARG B 39 168.209 -1.630 20.660 1.00 2.06 N ATOM 1387 NH2 ARG B 39 167.641 -1.437 18.440 1.00 2.18 N ATOM 0 H ARG B 39 164.222 2.953 20.118 1.00 0.54 H new ATOM 0 HA ARG B 39 166.436 1.361 20.437 1.00 0.62 H new ATOM 0 HB2 ARG B 39 167.104 4.175 20.870 1.00 0.93 H new ATOM 0 HB3 ARG B 39 167.354 3.211 22.313 1.00 0.93 H new ATOM 0 HG2 ARG B 39 168.667 2.923 19.607 1.00 1.15 H new ATOM 0 HG3 ARG B 39 169.423 3.153 21.171 1.00 1.15 H new ATOM 0 HD2 ARG B 39 169.788 0.904 21.020 1.00 1.41 H new ATOM 0 HD3 ARG B 39 168.162 0.809 21.667 1.00 1.41 H new ATOM 0 HE ARG B 39 168.197 0.966 18.750 1.00 1.58 H new ATOM 0 HH11 ARG B 39 168.527 -1.207 21.532 1.00 2.06 H new ATOM 0 HH12 ARG B 39 168.010 -2.630 20.621 1.00 2.06 H new ATOM 0 HH21 ARG B 39 167.522 -0.866 17.603 1.00 2.18 H new ATOM 0 HH22 ARG B 39 167.444 -2.437 18.407 1.00 2.18 H new ATOM 1401 N VAL B 40 164.111 1.295 21.871 1.00 0.43 N ATOM 1402 CA VAL B 40 163.158 0.908 22.922 1.00 0.56 C ATOM 1403 C VAL B 40 161.925 0.251 22.303 1.00 0.71 C ATOM 1404 O VAL B 40 161.343 0.781 21.354 1.00 1.15 O ATOM 1405 CB VAL B 40 162.676 2.103 23.789 1.00 0.60 C ATOM 1406 CG1 VAL B 40 163.391 2.119 25.133 1.00 1.04 C ATOM 1407 CG2 VAL B 40 162.843 3.435 23.061 1.00 0.65 C ATOM 0 H VAL B 40 163.847 0.967 20.942 1.00 0.43 H new ATOM 0 HA VAL B 40 163.697 0.215 23.568 1.00 0.56 H new ATOM 0 HB VAL B 40 161.610 1.967 23.971 1.00 0.60 H new ATOM 0 HG11 VAL B 40 163.037 2.964 25.723 1.00 1.04 H new ATOM 0 HG12 VAL B 40 163.183 1.192 25.667 1.00 1.04 H new ATOM 0 HG13 VAL B 40 164.465 2.212 24.973 1.00 1.04 H new ATOM 0 HG21 VAL B 40 162.494 4.246 23.701 1.00 0.65 H new ATOM 0 HG22 VAL B 40 163.895 3.589 22.821 1.00 0.65 H new ATOM 0 HG23 VAL B 40 162.259 3.422 22.141 1.00 0.65 H new ATOM 1417 N MET B 41 161.527 -0.900 22.845 1.00 0.60 N ATOM 1418 CA MET B 41 160.356 -1.620 22.343 1.00 0.74 C ATOM 1419 C MET B 41 159.761 -2.527 23.419 1.00 0.91 C ATOM 1420 O MET B 41 160.517 -3.334 24.003 1.00 0.91 O ATOM 1421 CB MET B 41 160.725 -2.444 21.104 1.00 0.73 C ATOM 1422 CG MET B 41 159.796 -2.213 19.921 1.00 0.74 C ATOM 1423 SD MET B 41 160.388 -0.920 18.811 1.00 0.86 S ATOM 1424 CE MET B 41 158.888 -0.524 17.916 1.00 0.70 C ATOM 1425 OXT MET B 41 158.542 -2.422 23.670 1.00 1.13 O ATOM 0 H MET B 41 161.996 -1.353 23.629 1.00 0.60 H new ATOM 0 HA MET B 41 159.603 -0.882 22.067 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.745 -2.201 20.807 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.712 -3.502 21.364 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.687 -3.143 19.363 1.00 0.74 H new ATOM 0 HG3 MET B 41 158.806 -1.944 20.289 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.094 0.262 17.190 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.529 -1.412 17.396 1.00 0.70 H new ATOM 0 HE3 MET B 41 158.126 -0.181 18.616 1.00 0.70 H new TER 1435 MET B 41