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 X(o=0,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.0017) 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= 0.00533 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.447 K(o=0.45,f=-1.6!) USER MOD Single : A 41 MET CE :methyl 176:sc= 0 (180deg=-0.0129) 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=-0.16) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) 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= 0.00386 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.445 X(o=0.45,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.184 -17.865 -19.484 1.00 0.77 N ATOM 2 CA GLY A 1 130.821 -17.844 -18.881 1.00 0.81 C ATOM 3 C GLY A 1 130.589 -16.623 -18.011 1.00 0.65 C ATOM 4 O GLY A 1 130.251 -15.551 -18.516 1.00 0.70 O ATOM 0 H1 GLY A 1 132.292 -18.718 -20.069 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.314 -17.020 -20.077 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.898 -17.871 -18.728 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.075 -17.867 -19.676 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.678 -18.744 -18.284 1.00 0.81 H new ATOM 10 N SER A 2 130.773 -16.786 -16.700 1.00 0.55 N ATOM 11 CA SER A 2 130.585 -15.686 -15.754 1.00 0.48 C ATOM 12 C SER A 2 131.912 -15.015 -15.412 1.00 0.47 C ATOM 13 O SER A 2 131.935 -13.825 -15.098 1.00 0.71 O ATOM 14 CB SER A 2 129.901 -16.184 -14.478 1.00 0.54 C ATOM 15 OG SER A 2 128.580 -16.623 -14.743 1.00 0.67 O ATOM 0 H SER A 2 131.052 -17.668 -16.270 1.00 0.55 H new ATOM 0 HA SER A 2 129.944 -14.945 -16.232 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.479 -17.002 -14.048 1.00 0.54 H new ATOM 0 HB3 SER A 2 129.880 -15.384 -13.738 1.00 0.54 H new ATOM 0 HG SER A 2 128.167 -16.937 -13.912 1.00 0.67 H new ATOM 21 N LEU A 3 133.015 -15.768 -15.498 1.00 0.38 N ATOM 22 CA LEU A 3 134.341 -15.212 -15.222 1.00 0.43 C ATOM 23 C LEU A 3 134.788 -14.367 -16.415 1.00 0.53 C ATOM 24 O LEU A 3 135.755 -14.689 -17.109 1.00 0.88 O ATOM 25 CB LEU A 3 135.365 -16.321 -14.921 1.00 0.48 C ATOM 26 CG LEU A 3 135.235 -17.597 -15.763 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.606 -18.090 -16.204 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.503 -18.679 -14.980 1.00 1.42 C ATOM 0 H LEU A 3 133.015 -16.755 -15.754 1.00 0.38 H new ATOM 0 HA LEU A 3 134.281 -14.583 -14.334 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.366 -15.914 -15.065 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.279 -16.592 -13.869 1.00 0.48 H new ATOM 0 HG LEU A 3 134.653 -17.363 -16.655 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.493 -18.996 -16.800 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.094 -17.321 -16.802 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.214 -18.307 -15.326 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.419 -19.577 -15.592 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.059 -18.909 -14.071 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.506 -18.326 -14.716 1.00 1.42 H new ATOM 40 N THR A 4 134.038 -13.292 -16.650 1.00 0.41 N ATOM 41 CA THR A 4 134.281 -12.375 -17.755 1.00 0.49 C ATOM 42 C THR A 4 133.841 -10.963 -17.356 1.00 0.39 C ATOM 43 O THR A 4 133.787 -10.651 -16.171 1.00 0.39 O ATOM 44 CB THR A 4 133.536 -12.853 -19.016 1.00 0.65 C ATOM 45 OG1 THR A 4 132.613 -13.886 -18.708 1.00 0.64 O ATOM 46 CG2 THR A 4 134.464 -13.376 -20.091 1.00 0.80 C ATOM 0 H THR A 4 133.238 -13.033 -16.072 1.00 0.41 H new ATOM 0 HA THR A 4 135.347 -12.354 -17.983 1.00 0.49 H new ATOM 0 HB THR A 4 133.020 -11.970 -19.392 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.153 -14.169 -19.526 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.878 -13.697 -20.953 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.152 -12.586 -20.394 1.00 0.80 H new ATOM 0 HG23 THR A 4 135.031 -14.222 -19.702 1.00 0.80 H new ATOM 54 N TYR A 5 133.573 -10.106 -18.341 1.00 0.48 N ATOM 55 CA TYR A 5 133.170 -8.711 -18.105 1.00 0.46 C ATOM 56 C TYR A 5 132.267 -8.513 -16.878 1.00 0.42 C ATOM 57 O TYR A 5 132.473 -7.569 -16.113 1.00 0.47 O ATOM 58 CB TYR A 5 132.462 -8.171 -19.348 1.00 0.59 C ATOM 59 CG TYR A 5 131.984 -6.738 -19.218 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.888 -5.685 -19.141 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.628 -6.442 -19.174 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.453 -4.379 -19.023 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.185 -5.138 -19.057 1.00 0.90 C ATOM 64 CZ TYR A 5 131.101 -4.111 -18.982 1.00 0.65 C ATOM 65 OH TYR A 5 130.665 -2.811 -18.865 1.00 0.79 O ATOM 0 H TYR A 5 133.628 -10.355 -19.328 1.00 0.48 H new ATOM 0 HA TYR A 5 134.088 -8.160 -17.899 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.141 -8.240 -20.198 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.607 -8.809 -19.571 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.948 -5.891 -19.174 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.907 -7.244 -19.232 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.168 -3.572 -18.963 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.127 -4.925 -19.025 1.00 0.90 H new ATOM 0 HH TYR A 5 129.685 -2.795 -18.852 1.00 0.79 H new ATOM 75 N GLU A 6 131.262 -9.375 -16.690 1.00 0.48 N ATOM 76 CA GLU A 6 130.345 -9.241 -15.553 1.00 0.50 C ATOM 77 C GLU A 6 131.002 -9.628 -14.223 1.00 0.38 C ATOM 78 O GLU A 6 130.485 -9.296 -13.153 1.00 0.47 O ATOM 79 CB GLU A 6 129.096 -10.099 -15.781 1.00 0.60 C ATOM 80 CG GLU A 6 127.795 -9.379 -15.466 1.00 0.65 C ATOM 81 CD GLU A 6 126.571 -10.187 -15.855 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.093 -10.981 -15.017 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.091 -10.026 -16.997 1.00 1.16 O ATOM 0 H GLU A 6 131.064 -10.165 -17.304 1.00 0.48 H new ATOM 0 HA GLU A 6 130.067 -8.189 -15.487 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.077 -10.428 -16.820 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.164 -10.995 -15.164 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.756 -9.158 -14.399 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.777 -8.424 -15.991 1.00 0.65 H new ATOM 90 N GLU A 7 132.138 -10.323 -14.291 1.00 0.30 N ATOM 91 CA GLU A 7 132.858 -10.745 -13.090 1.00 0.29 C ATOM 92 C GLU A 7 133.651 -9.586 -12.496 1.00 0.28 C ATOM 93 O GLU A 7 133.574 -9.328 -11.294 1.00 0.46 O ATOM 94 CB GLU A 7 133.799 -11.912 -13.404 1.00 0.40 C ATOM 95 CG GLU A 7 133.983 -12.876 -12.242 1.00 0.56 C ATOM 96 CD GLU A 7 135.042 -12.412 -11.258 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.242 -12.611 -11.539 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.670 -11.850 -10.206 1.00 0.81 O ATOM 0 H GLU A 7 132.579 -10.606 -15.166 1.00 0.30 H new ATOM 0 HA GLU A 7 132.120 -11.074 -12.358 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.410 -12.460 -14.262 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.772 -11.515 -13.694 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.034 -12.994 -11.719 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.258 -13.857 -12.629 1.00 0.56 H new ATOM 105 N VAL A 8 134.406 -8.883 -13.345 1.00 0.34 N ATOM 106 CA VAL A 8 135.204 -7.744 -12.898 1.00 0.36 C ATOM 107 C VAL A 8 134.308 -6.604 -12.409 1.00 0.28 C ATOM 108 O VAL A 8 134.678 -5.871 -11.491 1.00 0.39 O ATOM 109 CB VAL A 8 136.141 -7.233 -14.018 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.345 -6.650 -15.178 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.130 -6.212 -13.470 1.00 0.77 C ATOM 0 H VAL A 8 134.480 -9.084 -14.342 1.00 0.34 H new ATOM 0 HA VAL A 8 135.819 -8.090 -12.067 1.00 0.36 H new ATOM 0 HB VAL A 8 136.706 -8.085 -14.397 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.030 -6.299 -15.950 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.693 -7.418 -15.594 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.741 -5.815 -14.822 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.779 -5.866 -14.274 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.585 -5.365 -13.054 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.734 -6.674 -12.689 1.00 0.77 H new ATOM 121 N LEU A 9 133.126 -6.465 -13.024 1.00 0.36 N ATOM 122 CA LEU A 9 132.175 -5.420 -12.643 1.00 0.49 C ATOM 123 C LEU A 9 131.885 -5.476 -11.144 1.00 0.53 C ATOM 124 O LEU A 9 132.136 -4.506 -10.425 1.00 0.73 O ATOM 125 CB LEU A 9 130.874 -5.558 -13.440 1.00 0.66 C ATOM 126 CG LEU A 9 130.741 -4.605 -14.631 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.676 -5.101 -15.598 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.421 -3.194 -14.153 1.00 0.72 C ATOM 0 H LEU A 9 132.809 -7.064 -13.786 1.00 0.36 H new ATOM 0 HA LEU A 9 132.623 -4.453 -12.874 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.795 -6.583 -13.803 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.033 -5.393 -12.766 1.00 0.66 H new ATOM 0 HG LEU A 9 131.694 -4.579 -15.159 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.597 -4.410 -16.437 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.951 -6.089 -15.966 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.717 -5.159 -15.084 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.330 -2.530 -15.013 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.482 -3.202 -13.600 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.222 -2.839 -13.504 1.00 0.72 H new ATOM 140 N GLN A 10 131.365 -6.616 -10.672 1.00 0.42 N ATOM 141 CA GLN A 10 131.055 -6.796 -9.251 1.00 0.49 C ATOM 142 C GLN A 10 132.323 -6.739 -8.392 1.00 0.43 C ATOM 143 O GLN A 10 132.254 -6.454 -7.195 1.00 0.50 O ATOM 144 CB GLN A 10 130.334 -8.129 -9.028 1.00 0.60 C ATOM 145 CG GLN A 10 128.818 -8.011 -9.045 1.00 0.69 C ATOM 146 CD GLN A 10 128.230 -7.845 -7.656 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.068 -6.726 -7.169 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.910 -8.961 -7.009 1.00 0.84 N ATOM 0 H GLN A 10 131.151 -7.426 -11.254 1.00 0.42 H new ATOM 0 HA GLN A 10 130.401 -5.979 -8.948 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.644 -8.834 -9.800 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.647 -8.546 -8.071 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.530 -7.159 -9.661 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.393 -8.900 -9.511 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.061 -9.868 -7.451 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.513 -8.911 -6.071 1.00 0.84 H new ATOM 157 N GLU A 11 133.481 -6.985 -9.013 1.00 0.41 N ATOM 158 CA GLU A 11 134.760 -6.933 -8.310 1.00 0.44 C ATOM 159 C GLU A 11 135.193 -5.479 -8.101 1.00 0.40 C ATOM 160 O GLU A 11 135.910 -5.166 -7.150 1.00 0.56 O ATOM 161 CB GLU A 11 135.833 -7.694 -9.095 1.00 0.52 C ATOM 162 CG GLU A 11 136.524 -8.781 -8.288 1.00 0.63 C ATOM 163 CD GLU A 11 138.015 -8.845 -8.556 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.760 -8.031 -7.968 1.00 1.54 O ATOM 165 OE2 GLU A 11 138.439 -9.707 -9.355 1.00 1.64 O ATOM 0 H GLU A 11 133.555 -7.222 -10.002 1.00 0.41 H new ATOM 0 HA GLU A 11 134.638 -7.407 -7.336 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.376 -8.143 -9.977 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.582 -6.986 -9.450 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.357 -8.602 -7.226 1.00 0.63 H new ATOM 0 HG3 GLU A 11 136.074 -9.745 -8.524 1.00 0.63 H new ATOM 172 N LEU A 12 134.733 -4.595 -8.991 1.00 0.34 N ATOM 173 CA LEU A 12 135.048 -3.173 -8.905 1.00 0.34 C ATOM 174 C LEU A 12 134.284 -2.538 -7.745 1.00 0.31 C ATOM 175 O LEU A 12 134.884 -1.914 -6.868 1.00 0.39 O ATOM 176 CB LEU A 12 134.701 -2.466 -10.223 1.00 0.36 C ATOM 177 CG LEU A 12 135.437 -1.144 -10.482 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.996 -0.076 -9.491 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.946 -1.345 -10.420 1.00 0.59 C ATOM 0 H LEU A 12 134.139 -4.844 -9.782 1.00 0.34 H new ATOM 0 HA LEU A 12 136.117 -3.061 -8.726 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.915 -3.147 -11.047 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.628 -2.273 -10.239 1.00 0.36 H new ATOM 0 HG LEU A 12 135.179 -0.804 -11.485 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.531 0.852 -9.694 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.924 0.094 -9.592 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.217 -0.408 -8.476 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.448 -0.395 -10.606 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.224 -1.714 -9.433 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.248 -2.069 -11.176 1.00 0.59 H new ATOM 191 N VAL A 13 132.955 -2.705 -7.749 1.00 0.26 N ATOM 192 CA VAL A 13 132.109 -2.151 -6.692 1.00 0.26 C ATOM 193 C VAL A 13 132.597 -2.599 -5.311 1.00 0.22 C ATOM 194 O VAL A 13 132.889 -1.759 -4.463 1.00 0.24 O ATOM 195 CB VAL A 13 130.612 -2.515 -6.882 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.413 -4.017 -7.038 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.776 -1.975 -5.727 1.00 0.53 C ATOM 0 H VAL A 13 132.447 -3.217 -8.470 1.00 0.26 H new ATOM 0 HA VAL A 13 132.190 -1.066 -6.760 1.00 0.26 H new ATOM 0 HB VAL A 13 130.273 -2.043 -7.805 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.352 -4.232 -7.169 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.965 -4.368 -7.910 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.779 -4.527 -6.147 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.730 -2.241 -5.879 1.00 0.53 H new ATOM 0 HG22 VAL A 13 130.127 -2.407 -4.790 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.872 -0.890 -5.684 1.00 0.53 H new ATOM 207 N LYS A 14 132.665 -3.919 -5.080 1.00 0.24 N ATOM 208 CA LYS A 14 133.106 -4.470 -3.793 1.00 0.23 C ATOM 209 C LYS A 14 134.310 -3.720 -3.218 1.00 0.21 C ATOM 210 O LYS A 14 134.332 -3.404 -2.029 1.00 0.28 O ATOM 211 CB LYS A 14 133.456 -5.953 -3.948 1.00 0.30 C ATOM 212 CG LYS A 14 132.259 -6.880 -3.820 1.00 0.84 C ATOM 213 CD LYS A 14 132.649 -8.331 -4.061 1.00 0.68 C ATOM 214 CE LYS A 14 133.106 -9.008 -2.777 1.00 0.73 C ATOM 215 NZ LYS A 14 133.083 -10.495 -2.885 1.00 0.75 N ATOM 0 H LYS A 14 132.419 -4.626 -5.773 1.00 0.24 H new ATOM 0 HA LYS A 14 132.278 -4.351 -3.095 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.921 -6.107 -4.921 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.196 -6.223 -3.194 1.00 0.30 H new ATOM 0 HG2 LYS A 14 131.824 -6.779 -2.826 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.491 -6.585 -4.535 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.799 -8.873 -4.476 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.448 -8.376 -4.801 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.116 -8.679 -2.534 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.463 -8.695 -1.955 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.402 -10.913 -1.988 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.114 -10.813 -3.090 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.717 -10.797 -3.652 1.00 0.75 H new ATOM 229 N HIS A 15 135.305 -3.433 -4.063 1.00 0.25 N ATOM 230 CA HIS A 15 136.505 -2.714 -3.623 1.00 0.27 C ATOM 231 C HIS A 15 136.163 -1.291 -3.183 1.00 0.23 C ATOM 232 O HIS A 15 136.736 -0.776 -2.221 1.00 0.43 O ATOM 233 CB HIS A 15 137.545 -2.672 -4.747 1.00 0.33 C ATOM 234 CG HIS A 15 138.398 -3.899 -4.820 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.775 -3.867 -4.736 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.063 -5.202 -4.971 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.248 -5.097 -4.832 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.230 -5.925 -4.974 1.00 0.72 N ATOM 0 H HIS A 15 135.304 -3.686 -5.051 1.00 0.25 H new ATOM 0 HA HIS A 15 136.921 -3.250 -2.770 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.033 -2.539 -5.700 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.186 -1.802 -4.605 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.064 -5.599 -5.071 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.291 -5.377 -4.800 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.299 -6.938 -5.070 1.00 0.72 H new ATOM 247 N LYS A 16 135.224 -0.666 -3.894 1.00 0.21 N ATOM 248 CA LYS A 16 134.794 0.696 -3.584 1.00 0.25 C ATOM 249 C LYS A 16 134.007 0.744 -2.273 1.00 0.32 C ATOM 250 O LYS A 16 134.242 1.621 -1.439 1.00 0.62 O ATOM 251 CB LYS A 16 133.944 1.260 -4.726 1.00 0.37 C ATOM 252 CG LYS A 16 134.765 1.872 -5.849 1.00 0.50 C ATOM 253 CD LYS A 16 133.952 2.011 -7.128 1.00 0.57 C ATOM 254 CE LYS A 16 133.062 3.245 -7.097 1.00 0.59 C ATOM 255 NZ LYS A 16 131.653 2.914 -6.739 1.00 0.66 N ATOM 0 H LYS A 16 134.745 -1.084 -4.692 1.00 0.21 H new ATOM 0 HA LYS A 16 135.688 1.309 -3.468 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.323 0.463 -5.134 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.269 2.017 -4.326 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.130 2.852 -5.541 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.641 1.252 -6.040 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.626 2.069 -7.983 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.337 1.122 -7.267 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.460 3.960 -6.377 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.083 3.731 -8.073 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.084 3.784 -6.730 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.263 2.252 -7.440 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.628 2.474 -5.797 1.00 0.66 H new ATOM 269 N GLU A 17 133.073 -0.198 -2.091 1.00 0.32 N ATOM 270 CA GLU A 17 132.258 -0.253 -0.877 1.00 0.39 C ATOM 271 C GLU A 17 133.083 -0.706 0.329 1.00 0.32 C ATOM 272 O GLU A 17 132.876 -0.221 1.442 1.00 0.40 O ATOM 273 CB GLU A 17 131.066 -1.196 -1.081 1.00 0.51 C ATOM 274 CG GLU A 17 130.085 -1.207 0.084 1.00 0.80 C ATOM 275 CD GLU A 17 130.224 -2.441 0.956 1.00 1.08 C ATOM 276 OE1 GLU A 17 129.680 -3.500 0.579 1.00 1.43 O ATOM 277 OE2 GLU A 17 130.878 -2.349 2.017 1.00 1.47 O ATOM 0 H GLU A 17 132.865 -0.930 -2.770 1.00 0.32 H new ATOM 0 HA GLU A 17 131.890 0.753 -0.676 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.536 -0.905 -1.988 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.438 -2.208 -1.240 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.241 -0.317 0.694 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.067 -1.153 -0.303 1.00 0.80 H new ATOM 284 N LEU A 18 134.030 -1.623 0.101 1.00 0.32 N ATOM 285 CA LEU A 18 134.892 -2.114 1.176 1.00 0.34 C ATOM 286 C LEU A 18 135.727 -0.968 1.737 1.00 0.33 C ATOM 287 O LEU A 18 135.888 -0.841 2.953 1.00 0.66 O ATOM 288 CB LEU A 18 135.808 -3.238 0.678 1.00 0.53 C ATOM 289 CG LEU A 18 135.407 -4.645 1.128 1.00 0.67 C ATOM 290 CD1 LEU A 18 135.967 -5.693 0.177 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.879 -4.905 2.552 1.00 0.79 C ATOM 0 H LEU A 18 134.216 -2.036 -0.813 1.00 0.32 H new ATOM 0 HA LEU A 18 134.258 -2.518 1.965 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.829 -3.213 -0.412 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.823 -3.038 1.021 1.00 0.53 H new ATOM 0 HG LEU A 18 134.319 -4.714 1.109 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.671 -6.686 0.515 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.577 -5.519 -0.826 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.055 -5.625 0.160 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.585 -5.910 2.855 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.964 -4.815 2.598 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.426 -4.176 3.224 1.00 0.79 H new ATOM 303 N LEU A 19 136.235 -0.120 0.839 1.00 0.43 N ATOM 304 CA LEU A 19 137.030 1.038 1.234 1.00 0.44 C ATOM 305 C LEU A 19 136.181 2.014 2.047 1.00 0.30 C ATOM 306 O LEU A 19 136.683 2.674 2.958 1.00 0.45 O ATOM 307 CB LEU A 19 137.598 1.745 -0.002 1.00 0.57 C ATOM 308 CG LEU A 19 139.103 1.568 -0.217 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.441 1.626 -1.700 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.879 2.628 0.551 1.00 0.94 C ATOM 0 H LEU A 19 136.108 -0.217 -0.168 1.00 0.43 H new ATOM 0 HA LEU A 19 137.858 0.691 1.852 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.075 1.377 -0.884 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.381 2.810 0.076 1.00 0.57 H new ATOM 0 HG LEU A 19 139.393 0.588 0.162 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.515 1.498 -1.834 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.913 0.830 -2.225 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.137 2.591 -2.105 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.947 2.487 0.387 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.586 3.618 0.202 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.661 2.539 1.615 1.00 0.94 H new ATOM 322 N ARG A 20 134.886 2.094 1.712 1.00 0.32 N ATOM 323 CA ARG A 20 133.966 2.982 2.414 1.00 0.50 C ATOM 324 C ARG A 20 133.848 2.580 3.882 1.00 0.40 C ATOM 325 O ARG A 20 134.170 3.373 4.768 1.00 0.47 O ATOM 326 CB ARG A 20 132.586 2.962 1.749 1.00 0.78 C ATOM 327 CG ARG A 20 131.918 4.327 1.691 1.00 0.89 C ATOM 328 CD ARG A 20 131.038 4.468 0.458 1.00 0.98 C ATOM 329 NE ARG A 20 131.130 5.803 -0.134 1.00 1.06 N ATOM 330 CZ ARG A 20 130.617 6.131 -1.323 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.970 5.226 -2.054 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.751 7.371 -1.782 1.00 1.60 N ATOM 0 H ARG A 20 134.458 1.554 0.960 1.00 0.32 H new ATOM 0 HA ARG A 20 134.364 3.995 2.361 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.686 2.572 0.736 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.940 2.273 2.293 1.00 0.78 H new ATOM 0 HG2 ARG A 20 131.316 4.476 2.587 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.680 5.106 1.686 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.330 3.723 -0.282 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.002 4.262 0.727 1.00 0.98 H new ATOM 0 HE ARG A 20 131.616 6.528 0.394 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.863 4.273 -1.707 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.582 5.486 -2.961 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.245 8.070 -1.227 1.00 1.60 H new ATOM 0 HH22 ARG A 20 130.360 7.624 -2.690 1.00 1.60 H new ATOM 346 N ARG A 21 133.380 1.349 4.142 1.00 0.36 N ATOM 347 CA ARG A 21 133.220 0.854 5.511 1.00 0.37 C ATOM 348 C ARG A 21 134.484 1.069 6.340 1.00 0.35 C ATOM 349 O ARG A 21 134.398 1.455 7.503 1.00 0.49 O ATOM 350 CB ARG A 21 132.854 -0.634 5.498 1.00 0.47 C ATOM 351 CG ARG A 21 131.697 -0.987 6.421 1.00 0.71 C ATOM 352 CD ARG A 21 131.621 -2.485 6.673 1.00 0.94 C ATOM 353 NE ARG A 21 130.747 -3.163 5.713 1.00 0.95 N ATOM 354 CZ ARG A 21 130.679 -4.489 5.572 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.432 -5.288 6.324 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.854 -5.019 4.675 1.00 1.50 N ATOM 0 H ARG A 21 133.107 0.682 3.420 1.00 0.36 H new ATOM 0 HA ARG A 21 132.413 1.423 5.973 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.598 -0.927 4.480 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.729 -1.217 5.787 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.814 -0.463 7.370 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.761 -0.643 5.981 1.00 0.71 H new ATOM 0 HD2 ARG A 21 132.622 -2.913 6.616 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.255 -2.664 7.684 1.00 0.94 H new ATOM 0 HE ARG A 21 130.154 -2.587 5.116 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.067 -4.889 7.015 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.374 -6.300 6.210 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.274 -4.413 4.095 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.801 -6.032 4.566 1.00 1.50 H new ATOM 370 N LYS A 22 135.653 0.810 5.739 1.00 0.33 N ATOM 371 CA LYS A 22 136.934 0.979 6.433 1.00 0.41 C ATOM 372 C LYS A 22 136.933 2.258 7.273 1.00 0.34 C ATOM 373 O LYS A 22 137.308 2.238 8.447 1.00 0.36 O ATOM 374 CB LYS A 22 138.092 1.005 5.429 1.00 0.56 C ATOM 375 CG LYS A 22 139.339 0.289 5.924 1.00 0.77 C ATOM 376 CD LYS A 22 140.129 -0.321 4.776 1.00 0.95 C ATOM 377 CE LYS A 22 141.332 0.536 4.407 1.00 0.76 C ATOM 378 NZ LYS A 22 142.523 0.230 5.251 1.00 0.71 N ATOM 0 H LYS A 22 135.737 0.484 4.776 1.00 0.33 H new ATOM 0 HA LYS A 22 137.071 0.129 7.101 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.765 0.545 4.497 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.343 2.041 5.203 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.971 0.991 6.468 1.00 0.77 H new ATOM 0 HG3 LYS A 22 139.055 -0.494 6.627 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.465 -1.320 5.055 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.481 -0.433 3.907 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.582 0.376 3.358 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.073 1.589 4.516 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.317 0.837 4.964 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.295 0.407 6.250 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.788 -0.768 5.128 1.00 0.71 H new ATOM 392 N ASP A 23 136.488 3.361 6.667 1.00 0.34 N ATOM 393 CA ASP A 23 136.409 4.645 7.361 1.00 0.32 C ATOM 394 C ASP A 23 135.203 4.661 8.301 1.00 0.29 C ATOM 395 O ASP A 23 135.329 4.976 9.481 1.00 0.34 O ATOM 396 CB ASP A 23 136.309 5.794 6.351 1.00 0.37 C ATOM 397 CG ASP A 23 137.554 6.659 6.338 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.649 7.573 7.184 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.433 6.421 5.484 1.00 1.17 O ATOM 0 H ASP A 23 136.177 3.389 5.696 1.00 0.34 H new ATOM 0 HA ASP A 23 137.316 4.779 7.950 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.143 5.385 5.354 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.443 6.411 6.591 1.00 0.37 H new ATOM 404 N THR A 24 134.033 4.325 7.755 1.00 0.27 N ATOM 405 CA THR A 24 132.787 4.296 8.527 1.00 0.28 C ATOM 406 C THR A 24 132.969 3.582 9.874 1.00 0.27 C ATOM 407 O THR A 24 132.448 4.035 10.893 1.00 0.32 O ATOM 408 CB THR A 24 131.679 3.612 7.718 1.00 0.31 C ATOM 409 OG1 THR A 24 131.598 4.161 6.413 1.00 0.52 O ATOM 410 CG2 THR A 24 130.308 3.733 8.349 1.00 0.53 C ATOM 0 H THR A 24 133.921 4.067 6.774 1.00 0.27 H new ATOM 0 HA THR A 24 132.503 5.328 8.732 1.00 0.28 H new ATOM 0 HB THR A 24 131.956 2.558 7.690 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.886 3.710 5.912 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.573 3.226 7.723 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.321 3.274 9.338 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.042 4.786 8.441 1.00 0.53 H new ATOM 418 N HIS A 25 133.703 2.462 9.870 1.00 0.27 N ATOM 419 CA HIS A 25 133.944 1.687 11.090 1.00 0.31 C ATOM 420 C HIS A 25 134.875 2.428 12.047 1.00 0.33 C ATOM 421 O HIS A 25 134.556 2.587 13.225 1.00 0.43 O ATOM 422 CB HIS A 25 134.530 0.313 10.745 1.00 0.37 C ATOM 423 CG HIS A 25 134.025 -0.795 11.619 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.866 -0.668 12.984 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.643 -2.058 11.315 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.410 -1.804 13.480 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.265 -2.663 12.489 1.00 0.75 N ATOM 0 H HIS A 25 134.140 2.074 9.034 1.00 0.27 H new ATOM 0 HA HIS A 25 132.985 1.550 11.589 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.297 0.079 9.706 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.616 0.361 10.825 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.637 -2.506 10.332 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.193 -1.997 14.520 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.927 -3.621 12.580 1.00 0.75 H new ATOM 436 N ILE A 26 136.020 2.898 11.545 1.00 0.31 N ATOM 437 CA ILE A 26 136.956 3.640 12.391 1.00 0.35 C ATOM 438 C ILE A 26 136.346 4.978 12.828 1.00 0.34 C ATOM 439 O ILE A 26 136.820 5.604 13.777 1.00 0.46 O ATOM 440 CB ILE A 26 138.325 3.884 11.705 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.157 4.543 10.332 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.091 2.574 11.575 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.166 6.055 10.375 1.00 0.68 C ATOM 0 H ILE A 26 136.317 2.781 10.576 1.00 0.31 H new ATOM 0 HA ILE A 26 137.140 3.018 13.267 1.00 0.35 H new ATOM 0 HB ILE A 26 138.895 4.568 12.333 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.958 4.203 9.676 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.219 4.207 9.890 1.00 0.40 H new ATOM 0 HG21 ILE A 26 140.050 2.760 11.092 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.260 2.151 12.565 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.512 1.872 10.975 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.042 6.448 9.366 1.00 0.68 H new ATOM 0 HD12 ILE A 26 137.348 6.406 11.004 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.114 6.402 10.786 1.00 0.68 H new ATOM 455 N ARG A 27 135.272 5.396 12.142 1.00 0.29 N ATOM 456 CA ARG A 27 134.574 6.634 12.463 1.00 0.35 C ATOM 457 C ARG A 27 133.528 6.385 13.552 1.00 0.34 C ATOM 458 O ARG A 27 133.448 7.138 14.524 1.00 0.39 O ATOM 459 CB ARG A 27 133.908 7.210 11.208 1.00 0.44 C ATOM 460 CG ARG A 27 133.089 8.466 11.465 1.00 0.52 C ATOM 461 CD ARG A 27 131.601 8.157 11.544 1.00 0.81 C ATOM 462 NE ARG A 27 130.803 9.084 10.741 1.00 0.91 N ATOM 463 CZ ARG A 27 130.271 10.219 11.207 1.00 0.92 C ATOM 464 NH1 ARG A 27 130.449 10.583 12.475 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.557 10.995 10.398 1.00 1.68 N ATOM 0 H ARG A 27 134.871 4.884 11.356 1.00 0.29 H new ATOM 0 HA ARG A 27 135.300 7.357 12.835 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.679 7.435 10.471 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.261 6.450 10.771 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.415 8.930 12.396 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.270 9.188 10.669 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.424 7.137 11.202 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.276 8.206 12.583 1.00 0.81 H new ATOM 0 HE ARG A 27 130.642 8.849 9.762 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.996 9.994 13.103 1.00 1.19 H new ATOM 0 HH12 ARG A 27 130.038 11.451 12.819 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.416 10.724 9.425 1.00 1.68 H new ATOM 0 HH22 ARG A 27 129.150 11.861 10.750 1.00 1.68 H new ATOM 479 N GLU A 28 132.737 5.314 13.394 1.00 0.33 N ATOM 480 CA GLU A 28 131.716 4.971 14.386 1.00 0.38 C ATOM 481 C GLU A 28 132.380 4.561 15.699 1.00 0.37 C ATOM 482 O GLU A 28 131.978 5.014 16.772 1.00 0.47 O ATOM 483 CB GLU A 28 130.775 3.864 13.880 1.00 0.48 C ATOM 484 CG GLU A 28 131.477 2.616 13.364 1.00 0.81 C ATOM 485 CD GLU A 28 131.327 1.428 14.295 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.223 0.847 14.343 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.313 1.078 14.976 1.00 1.85 O ATOM 0 H GLU A 28 132.785 4.679 12.597 1.00 0.33 H new ATOM 0 HA GLU A 28 131.105 5.857 14.558 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.105 3.578 14.691 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.154 4.271 13.082 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.074 2.357 12.385 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.536 2.832 13.226 1.00 0.81 H new ATOM 494 N LEU A 29 133.413 3.714 15.604 1.00 0.34 N ATOM 495 CA LEU A 29 134.153 3.260 16.782 1.00 0.38 C ATOM 496 C LEU A 29 134.899 4.422 17.448 1.00 0.42 C ATOM 497 O LEU A 29 135.349 4.303 18.589 1.00 0.80 O ATOM 498 CB LEU A 29 135.142 2.155 16.398 1.00 0.48 C ATOM 499 CG LEU A 29 135.260 1.011 17.410 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.795 -0.301 16.793 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.691 0.890 17.917 1.00 0.58 C ATOM 0 H LEU A 29 133.753 3.331 14.722 1.00 0.34 H new ATOM 0 HA LEU A 29 133.433 2.861 17.496 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.843 1.739 15.436 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.127 2.601 16.261 1.00 0.48 H new ATOM 0 HG LEU A 29 134.615 1.236 18.259 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.887 -1.101 17.528 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.754 -0.209 16.484 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.411 -0.533 15.925 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.755 0.072 18.635 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.358 0.690 17.079 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.985 1.821 18.401 1.00 0.58 H new ATOM 513 N GLU A 30 135.003 5.554 16.738 1.00 0.42 N ATOM 514 CA GLU A 30 135.664 6.741 17.271 1.00 0.46 C ATOM 515 C GLU A 30 134.797 7.388 18.351 1.00 0.46 C ATOM 516 O GLU A 30 135.313 8.002 19.285 1.00 0.61 O ATOM 517 CB GLU A 30 135.958 7.749 16.154 1.00 0.51 C ATOM 518 CG GLU A 30 137.371 8.309 16.199 1.00 0.57 C ATOM 519 CD GLU A 30 137.657 9.078 17.476 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.369 10.292 17.516 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.168 8.464 18.437 1.00 1.33 O ATOM 0 H GLU A 30 134.636 5.667 15.793 1.00 0.42 H new ATOM 0 HA GLU A 30 136.612 6.435 17.714 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.797 7.268 15.189 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.247 8.572 16.222 1.00 0.51 H new ATOM 0 HG2 GLU A 30 138.085 7.491 16.105 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.525 8.965 15.343 1.00 0.57 H new ATOM 528 N ASP A 31 133.474 7.220 18.228 1.00 0.43 N ATOM 529 CA ASP A 31 132.529 7.757 19.203 1.00 0.58 C ATOM 530 C ASP A 31 132.389 6.797 20.385 1.00 0.59 C ATOM 531 O ASP A 31 132.187 7.225 21.524 1.00 0.78 O ATOM 532 CB ASP A 31 131.161 7.991 18.553 1.00 0.71 C ATOM 533 CG ASP A 31 130.252 8.852 19.410 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.333 10.094 19.300 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.460 8.285 20.193 1.00 1.65 O ATOM 0 H ASP A 31 133.037 6.714 17.458 1.00 0.43 H new ATOM 0 HA ASP A 31 132.911 8.712 19.564 1.00 0.58 H new ATOM 0 HB2 ASP A 31 131.300 8.468 17.583 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.680 7.030 18.370 1.00 0.71 H new ATOM 540 N TYR A 32 132.521 5.495 20.103 1.00 0.51 N ATOM 541 CA TYR A 32 132.434 4.467 21.139 1.00 0.56 C ATOM 542 C TYR A 32 133.562 4.651 22.151 1.00 0.55 C ATOM 543 O TYR A 32 133.349 4.541 23.360 1.00 0.64 O ATOM 544 CB TYR A 32 132.506 3.066 20.520 1.00 0.61 C ATOM 545 CG TYR A 32 131.313 2.712 19.654 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.038 3.177 19.960 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.464 1.911 18.528 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.952 2.854 19.170 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.381 1.585 17.734 1.00 1.19 C ATOM 550 CZ TYR A 32 129.129 2.059 18.059 1.00 1.23 C ATOM 551 OH TYR A 32 128.049 1.735 17.270 1.00 1.55 O ATOM 0 H TYR A 32 132.688 5.132 19.165 1.00 0.51 H new ATOM 0 HA TYR A 32 131.476 4.569 21.648 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.413 2.992 19.919 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.592 2.331 21.320 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.895 3.801 20.830 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.444 1.537 18.269 1.00 0.98 H new ATOM 0 HE1 TYR A 32 127.969 3.223 19.422 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.516 0.961 16.863 1.00 1.19 H new ATOM 0 HH TYR A 32 128.345 1.169 16.527 1.00 1.55 H new ATOM 561 N ILE A 33 134.759 4.954 21.643 1.00 0.53 N ATOM 562 CA ILE A 33 135.924 5.182 22.492 1.00 0.62 C ATOM 563 C ILE A 33 135.836 6.558 23.149 1.00 0.58 C ATOM 564 O ILE A 33 136.093 6.699 24.346 1.00 0.77 O ATOM 565 CB ILE A 33 137.241 5.085 21.687 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.362 3.712 21.017 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.442 5.348 22.589 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.193 3.728 19.751 1.00 0.85 C ATOM 0 H ILE A 33 134.944 5.047 20.644 1.00 0.53 H new ATOM 0 HA ILE A 33 135.929 4.406 23.257 1.00 0.62 H new ATOM 0 HB ILE A 33 137.224 5.847 20.908 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.804 3.010 21.723 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.364 3.342 20.782 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.359 5.275 22.004 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.363 6.347 23.018 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.463 4.610 23.391 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.236 2.723 19.331 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.740 4.405 19.027 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.203 4.067 19.983 1.00 0.85 H new ATOM 580 N ASP A 34 135.485 7.572 22.344 1.00 0.49 N ATOM 581 CA ASP A 34 135.366 8.958 22.812 1.00 0.54 C ATOM 582 C ASP A 34 134.655 9.074 24.162 1.00 0.44 C ATOM 583 O ASP A 34 134.920 10.013 24.905 1.00 0.47 O ATOM 584 CB ASP A 34 134.624 9.806 21.776 1.00 0.75 C ATOM 585 CG ASP A 34 135.448 10.986 21.298 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.473 12.017 22.004 1.00 1.42 O ATOM 587 OD2 ASP A 34 136.070 10.879 20.221 1.00 1.49 O ATOM 0 H ASP A 34 135.276 7.453 21.353 1.00 0.49 H new ATOM 0 HA ASP A 34 136.383 9.326 22.945 1.00 0.54 H new ATOM 0 HB2 ASP A 34 134.359 9.182 20.923 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.691 10.169 22.208 1.00 0.75 H new ATOM 592 N ASN A 35 133.752 8.130 24.467 1.00 0.53 N ATOM 593 CA ASN A 35 132.997 8.127 25.730 1.00 0.57 C ATOM 594 C ASN A 35 133.823 8.675 26.895 1.00 0.47 C ATOM 595 O ASN A 35 133.321 9.462 27.699 1.00 0.58 O ATOM 596 CB ASN A 35 132.521 6.707 26.054 1.00 0.74 C ATOM 597 CG ASN A 35 131.078 6.476 25.644 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.151 6.851 26.362 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.880 5.855 24.485 1.00 1.32 N ATOM 0 H ASN A 35 133.525 7.351 23.849 1.00 0.53 H new ATOM 0 HA ASN A 35 132.137 8.783 25.597 1.00 0.57 H new ATOM 0 HB2 ASN A 35 133.161 5.987 25.545 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.626 6.526 27.124 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.931 5.673 24.160 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.678 5.561 23.921 1.00 1.32 H new ATOM 606 N LEU A 36 135.093 8.266 26.971 1.00 0.42 N ATOM 607 CA LEU A 36 135.993 8.729 28.029 1.00 0.47 C ATOM 608 C LEU A 36 136.035 10.258 28.071 1.00 0.42 C ATOM 609 O LEU A 36 135.867 10.861 29.132 1.00 0.53 O ATOM 610 CB LEU A 36 137.406 8.174 27.815 1.00 0.66 C ATOM 611 CG LEU A 36 137.492 6.656 27.624 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.891 6.252 27.181 1.00 1.04 C ATOM 613 CD2 LEU A 36 137.103 5.931 28.906 1.00 1.66 C ATOM 0 H LEU A 36 135.520 7.615 26.312 1.00 0.42 H new ATOM 0 HA LEU A 36 135.611 8.363 28.982 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.840 8.659 26.941 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.021 8.451 28.671 1.00 0.66 H new ATOM 0 HG LEU A 36 136.789 6.368 26.843 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.933 5.171 27.050 1.00 1.04 H new ATOM 0 HD12 LEU A 36 139.129 6.741 26.236 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.614 6.554 27.939 1.00 1.04 H new ATOM 0 HD21 LEU A 36 137.170 4.854 28.750 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.779 6.224 29.709 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.081 6.195 29.177 1.00 1.66 H new ATOM 625 N LEU A 37 136.246 10.877 26.905 1.00 0.36 N ATOM 626 CA LEU A 37 136.294 12.335 26.802 1.00 0.40 C ATOM 627 C LEU A 37 135.209 12.852 25.848 1.00 0.32 C ATOM 628 O LEU A 37 135.499 13.529 24.857 1.00 0.42 O ATOM 629 CB LEU A 37 137.682 12.782 26.327 1.00 0.56 C ATOM 630 CG LEU A 37 138.188 12.106 25.046 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.996 13.087 24.208 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.021 10.875 25.384 1.00 0.63 C ATOM 0 H LEU A 37 136.386 10.389 26.020 1.00 0.36 H new ATOM 0 HA LEU A 37 136.105 12.757 27.789 1.00 0.40 H new ATOM 0 HB2 LEU A 37 137.663 13.860 26.166 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.399 12.592 27.126 1.00 0.56 H new ATOM 0 HG LEU A 37 137.325 11.786 24.462 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.347 12.590 23.303 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.369 13.936 23.936 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.852 13.439 24.784 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.371 10.409 24.463 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.878 11.170 25.990 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.411 10.164 25.941 1.00 0.63 H new ATOM 644 N VAL A 38 133.958 12.523 26.175 1.00 0.29 N ATOM 645 CA VAL A 38 132.799 12.930 25.383 1.00 0.41 C ATOM 646 C VAL A 38 131.559 13.037 26.280 1.00 0.38 C ATOM 647 O VAL A 38 131.646 12.803 27.488 1.00 0.61 O ATOM 648 CB VAL A 38 132.542 11.948 24.209 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.552 10.854 24.595 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.062 12.702 22.975 1.00 0.99 C ATOM 0 H VAL A 38 133.721 11.967 26.997 1.00 0.29 H new ATOM 0 HA VAL A 38 133.009 13.909 24.952 1.00 0.41 H new ATOM 0 HB VAL A 38 133.488 11.462 23.972 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.398 10.187 23.747 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.948 10.286 25.437 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.602 11.307 24.878 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.887 11.997 22.163 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.135 13.226 23.207 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.820 13.424 22.672 1.00 0.99 H new ATOM 660 N ARG A 39 130.406 13.373 25.697 1.00 0.44 N ATOM 661 CA ARG A 39 129.170 13.482 26.469 1.00 0.47 C ATOM 662 C ARG A 39 128.660 12.093 26.856 1.00 0.53 C ATOM 663 O ARG A 39 128.283 11.298 25.992 1.00 0.86 O ATOM 664 CB ARG A 39 128.100 14.237 25.668 1.00 0.59 C ATOM 665 CG ARG A 39 126.700 14.142 26.261 1.00 0.75 C ATOM 666 CD ARG A 39 126.649 14.687 27.682 1.00 0.97 C ATOM 667 NE ARG A 39 126.292 16.105 27.716 1.00 0.93 N ATOM 668 CZ ARG A 39 126.506 16.906 28.763 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.075 16.435 29.871 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.148 18.184 28.703 1.00 1.48 N ATOM 0 H ARG A 39 130.304 13.572 24.702 1.00 0.44 H new ATOM 0 HA ARG A 39 129.381 14.043 27.380 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.385 15.287 25.601 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.080 13.847 24.650 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.001 14.696 25.634 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.374 13.102 26.259 1.00 0.75 H new ATOM 0 HD2 ARG A 39 125.923 14.117 28.262 1.00 0.97 H new ATOM 0 HD3 ARG A 39 127.619 14.547 28.159 1.00 0.97 H new ATOM 0 HE ARG A 39 125.852 16.507 26.888 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.352 15.455 29.925 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.234 17.055 30.665 1.00 1.27 H new ATOM 0 HH21 ARG A 39 125.710 18.552 27.858 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.311 18.797 29.502 1.00 1.48 H new ATOM 684 N VAL A 40 128.658 11.808 28.158 1.00 0.46 N ATOM 685 CA VAL A 40 128.200 10.514 28.665 1.00 0.53 C ATOM 686 C VAL A 40 126.817 10.622 29.305 1.00 0.53 C ATOM 687 O VAL A 40 126.440 11.677 29.821 1.00 0.66 O ATOM 688 CB VAL A 40 129.189 9.919 29.694 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.457 9.439 29.001 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.518 10.930 30.786 1.00 0.78 C ATOM 0 H VAL A 40 128.969 12.456 28.882 1.00 0.46 H new ATOM 0 HA VAL A 40 128.145 9.848 27.804 1.00 0.53 H new ATOM 0 HB VAL A 40 128.710 9.061 30.167 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.141 9.024 29.741 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.204 8.671 28.270 1.00 0.71 H new ATOM 0 HG13 VAL A 40 130.935 10.278 28.496 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.215 10.485 31.496 1.00 0.78 H new ATOM 0 HG22 VAL A 40 129.971 11.815 30.338 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.603 11.215 31.306 1.00 0.78 H new ATOM 700 N MET A 41 126.065 9.520 29.264 1.00 0.53 N ATOM 701 CA MET A 41 124.721 9.478 29.835 1.00 0.60 C ATOM 702 C MET A 41 124.546 8.252 30.727 1.00 0.86 C ATOM 703 O MET A 41 124.840 8.293 31.922 1.00 1.20 O ATOM 704 CB MET A 41 123.667 9.473 28.723 1.00 0.75 C ATOM 705 CG MET A 41 123.865 8.373 27.690 1.00 0.56 C ATOM 706 SD MET A 41 122.480 8.242 26.542 1.00 0.67 S ATOM 707 CE MET A 41 122.749 9.687 25.518 1.00 0.54 C ATOM 0 H MET A 41 126.367 8.643 28.839 1.00 0.53 H new ATOM 0 HA MET A 41 124.586 10.371 30.446 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.680 9.363 29.172 1.00 0.75 H new ATOM 0 HB3 MET A 41 123.681 10.439 28.218 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.780 8.566 27.130 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.000 7.420 28.201 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.013 9.706 24.714 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.647 10.587 26.125 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.751 9.649 25.091 1.00 0.54 H new ATOM 718 N GLY B 1 135.313 4.309 -27.726 1.00 0.61 N ATOM 719 CA GLY B 1 136.713 3.871 -27.987 1.00 0.61 C ATOM 720 C GLY B 1 137.095 2.638 -27.189 1.00 0.52 C ATOM 721 O GLY B 1 136.901 1.511 -27.648 1.00 0.60 O ATOM 0 H1 GLY B 1 135.102 5.154 -28.295 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.656 3.545 -27.984 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.202 4.534 -26.717 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.833 3.663 -29.050 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.396 4.684 -27.742 1.00 0.61 H new ATOM 727 N SER B 2 137.639 2.854 -25.990 1.00 0.50 N ATOM 728 CA SER B 2 138.051 1.753 -25.119 1.00 0.49 C ATOM 729 C SER B 2 137.300 1.778 -23.787 1.00 0.47 C ATOM 730 O SER B 2 137.776 1.226 -22.794 1.00 0.63 O ATOM 731 CB SER B 2 139.563 1.810 -24.875 1.00 0.55 C ATOM 732 OG SER B 2 140.281 1.383 -26.020 1.00 0.67 O ATOM 0 H SER B 2 137.804 3.782 -25.600 1.00 0.50 H new ATOM 0 HA SER B 2 137.803 0.819 -25.623 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.855 2.828 -24.618 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.821 1.180 -24.024 1.00 0.55 H new ATOM 0 HG SER B 2 141.243 1.430 -25.839 1.00 0.67 H new ATOM 738 N LEU B 3 136.112 2.391 -23.777 1.00 0.48 N ATOM 739 CA LEU B 3 135.292 2.446 -22.570 1.00 0.55 C ATOM 740 C LEU B 3 134.444 1.179 -22.486 1.00 0.65 C ATOM 741 O LEU B 3 133.212 1.226 -22.515 1.00 1.02 O ATOM 742 CB LEU B 3 134.406 3.699 -22.574 1.00 0.62 C ATOM 743 CG LEU B 3 134.997 4.910 -21.846 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.993 5.639 -22.737 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.890 5.854 -21.393 1.00 0.76 C ATOM 0 H LEU B 3 135.701 2.853 -24.588 1.00 0.48 H new ATOM 0 HA LEU B 3 135.938 2.504 -21.694 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.202 3.979 -23.608 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.448 3.450 -22.117 1.00 0.62 H new ATOM 0 HG LEU B 3 135.527 4.554 -20.963 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.401 6.496 -22.201 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.803 4.961 -23.008 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.489 5.982 -23.641 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.329 6.708 -20.878 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.331 6.202 -22.261 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.218 5.328 -20.715 1.00 0.76 H new ATOM 757 N THR B 4 135.132 0.042 -22.409 1.00 0.46 N ATOM 758 CA THR B 4 134.492 -1.266 -22.349 1.00 0.55 C ATOM 759 C THR B 4 135.323 -2.216 -21.477 1.00 0.42 C ATOM 760 O THR B 4 136.088 -1.763 -20.633 1.00 0.43 O ATOM 761 CB THR B 4 134.317 -1.823 -23.774 1.00 0.72 C ATOM 762 OG1 THR B 4 135.383 -1.412 -24.614 1.00 0.70 O ATOM 763 CG2 THR B 4 133.023 -1.387 -24.429 1.00 0.90 C ATOM 0 H THR B 4 136.151 0.004 -22.387 1.00 0.46 H new ATOM 0 HA THR B 4 133.505 -1.171 -21.896 1.00 0.55 H new ATOM 0 HB THR B 4 134.304 -2.907 -23.659 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.251 -1.779 -25.513 1.00 0.70 H new ATOM 0 HG21 THR B 4 132.961 -1.813 -25.430 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.179 -1.734 -23.834 1.00 0.90 H new ATOM 0 HG23 THR B 4 132.997 -0.299 -24.495 1.00 0.90 H new ATOM 771 N TYR B 5 135.139 -3.525 -21.658 1.00 0.50 N ATOM 772 CA TYR B 5 135.842 -4.557 -20.878 1.00 0.45 C ATOM 773 C TYR B 5 137.296 -4.203 -20.527 1.00 0.41 C ATOM 774 O TYR B 5 137.724 -4.432 -19.394 1.00 0.46 O ATOM 775 CB TYR B 5 135.813 -5.877 -21.651 1.00 0.57 C ATOM 776 CG TYR B 5 136.524 -7.020 -20.955 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.020 -7.570 -19.782 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.698 -7.549 -21.475 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.667 -8.613 -19.148 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.351 -8.593 -20.847 1.00 0.92 C ATOM 781 CZ TYR B 5 137.831 -9.121 -19.684 1.00 0.67 C ATOM 782 OH TYR B 5 138.478 -10.160 -19.055 1.00 0.84 O ATOM 0 H TYR B 5 134.496 -3.906 -22.352 1.00 0.50 H new ATOM 0 HA TYR B 5 135.313 -4.638 -19.928 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.775 -6.161 -21.824 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.268 -5.722 -22.629 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.108 -7.175 -19.359 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.108 -7.138 -22.386 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.263 -9.028 -18.237 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.263 -8.993 -21.265 1.00 0.92 H new ATOM 0 HH TYR B 5 139.281 -10.400 -19.562 1.00 0.84 H new ATOM 792 N GLU B 6 138.063 -3.670 -21.484 1.00 0.49 N ATOM 793 CA GLU B 6 139.467 -3.325 -21.233 1.00 0.50 C ATOM 794 C GLU B 6 139.613 -2.082 -20.345 1.00 0.38 C ATOM 795 O GLU B 6 140.689 -1.833 -19.797 1.00 0.44 O ATOM 796 CB GLU B 6 140.198 -3.099 -22.558 1.00 0.62 C ATOM 797 CG GLU B 6 141.554 -3.783 -22.631 1.00 0.68 C ATOM 798 CD GLU B 6 142.185 -3.683 -24.007 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.902 -2.692 -24.262 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.961 -4.595 -24.831 1.00 1.14 O ATOM 0 H GLU B 6 137.740 -3.470 -22.430 1.00 0.49 H new ATOM 0 HA GLU B 6 139.913 -4.165 -20.700 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.573 -3.462 -23.374 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.332 -2.028 -22.711 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.222 -3.335 -21.896 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.442 -4.833 -22.362 1.00 0.68 H new ATOM 807 N GLU B 7 138.533 -1.315 -20.199 1.00 0.32 N ATOM 808 CA GLU B 7 138.549 -0.109 -19.372 1.00 0.29 C ATOM 809 C GLU B 7 138.444 -0.463 -17.892 1.00 0.27 C ATOM 810 O GLU B 7 139.225 0.028 -17.075 1.00 0.43 O ATOM 811 CB GLU B 7 137.406 0.832 -19.763 1.00 0.43 C ATOM 812 CG GLU B 7 137.740 2.305 -19.578 1.00 0.57 C ATOM 813 CD GLU B 7 137.516 2.781 -18.154 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.352 3.058 -17.797 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.506 2.878 -17.398 1.00 0.80 O ATOM 0 H GLU B 7 137.635 -1.508 -20.643 1.00 0.32 H new ATOM 0 HA GLU B 7 139.498 0.399 -19.544 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.142 0.656 -20.806 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.527 0.590 -19.166 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.781 2.475 -19.854 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.129 2.900 -20.256 1.00 0.57 H new ATOM 822 N VAL B 8 137.480 -1.324 -17.551 1.00 0.35 N ATOM 823 CA VAL B 8 137.284 -1.747 -16.167 1.00 0.37 C ATOM 824 C VAL B 8 138.484 -2.553 -15.665 1.00 0.28 C ATOM 825 O VAL B 8 138.827 -2.489 -14.484 1.00 0.40 O ATOM 826 CB VAL B 8 135.987 -2.575 -16.004 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.084 -3.900 -16.749 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.674 -2.802 -14.531 1.00 0.78 C ATOM 0 H VAL B 8 136.826 -1.739 -18.215 1.00 0.35 H new ATOM 0 HA VAL B 8 137.190 -0.843 -15.565 1.00 0.37 H new ATOM 0 HB VAL B 8 135.168 -2.006 -16.443 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.159 -4.460 -16.617 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.244 -3.710 -17.810 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.919 -4.479 -16.354 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.758 -3.386 -14.439 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.497 -3.342 -14.063 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.542 -1.841 -14.035 1.00 0.78 H new ATOM 838 N LEU B 9 139.120 -3.308 -16.571 1.00 0.35 N ATOM 839 CA LEU B 9 140.286 -4.118 -16.219 1.00 0.49 C ATOM 840 C LEU B 9 141.353 -3.263 -15.536 1.00 0.52 C ATOM 841 O LEU B 9 141.724 -3.527 -14.391 1.00 0.74 O ATOM 842 CB LEU B 9 140.868 -4.795 -17.465 1.00 0.65 C ATOM 843 CG LEU B 9 140.475 -6.263 -17.646 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.708 -6.707 -19.083 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.250 -7.148 -16.677 1.00 0.76 C ATOM 0 H LEU B 9 138.844 -3.372 -17.551 1.00 0.35 H new ATOM 0 HA LEU B 9 139.963 -4.891 -15.521 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.549 -4.238 -18.346 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.955 -4.728 -17.422 1.00 0.65 H new ATOM 0 HG LEU B 9 139.412 -6.363 -17.426 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.423 -7.753 -19.191 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.106 -6.095 -19.755 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.762 -6.591 -19.333 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.957 -8.188 -16.820 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.319 -7.043 -16.863 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.029 -6.847 -15.653 1.00 0.76 H new ATOM 857 N GLN B 10 141.837 -2.230 -16.238 1.00 0.41 N ATOM 858 CA GLN B 10 142.853 -1.329 -15.687 1.00 0.48 C ATOM 859 C GLN B 10 142.319 -0.562 -14.472 1.00 0.42 C ATOM 860 O GLN B 10 143.096 -0.094 -13.639 1.00 0.48 O ATOM 861 CB GLN B 10 143.328 -0.343 -16.759 1.00 0.58 C ATOM 862 CG GLN B 10 144.566 -0.809 -17.509 1.00 0.66 C ATOM 863 CD GLN B 10 145.849 -0.261 -16.914 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.450 -0.876 -16.033 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.276 0.904 -17.391 1.00 0.83 N ATOM 0 H GLN B 10 141.541 -1.999 -17.186 1.00 0.41 H new ATOM 0 HA GLN B 10 143.696 -1.939 -15.361 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.521 -0.179 -17.473 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.538 0.618 -16.289 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.602 -1.898 -17.501 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.492 -0.500 -18.552 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.747 1.381 -18.122 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.132 1.321 -17.026 1.00 0.83 H new ATOM 874 N GLU B 11 140.990 -0.459 -14.364 1.00 0.40 N ATOM 875 CA GLU B 11 140.358 0.223 -13.236 1.00 0.42 C ATOM 876 C GLU B 11 140.377 -0.672 -11.993 1.00 0.37 C ATOM 877 O GLU B 11 140.385 -0.180 -10.864 1.00 0.54 O ATOM 878 CB GLU B 11 138.916 0.606 -13.585 1.00 0.48 C ATOM 879 CG GLU B 11 138.618 2.087 -13.411 1.00 0.62 C ATOM 880 CD GLU B 11 137.250 2.337 -12.807 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.120 2.235 -11.568 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.309 2.634 -13.572 1.00 1.61 O ATOM 0 H GLU B 11 140.334 -0.840 -15.045 1.00 0.40 H new ATOM 0 HA GLU B 11 140.921 1.132 -13.023 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.714 0.323 -14.618 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.235 0.031 -12.958 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.380 2.535 -12.774 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.680 2.583 -14.380 1.00 0.62 H new ATOM 889 N LEU B 12 140.407 -1.989 -12.219 1.00 0.32 N ATOM 890 CA LEU B 12 140.450 -2.960 -11.132 1.00 0.30 C ATOM 891 C LEU B 12 141.830 -2.952 -10.477 1.00 0.28 C ATOM 892 O LEU B 12 141.945 -2.772 -9.262 1.00 0.36 O ATOM 893 CB LEU B 12 140.117 -4.365 -11.652 1.00 0.32 C ATOM 894 CG LEU B 12 139.607 -5.359 -10.599 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.707 -5.705 -9.605 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.386 -4.804 -9.877 1.00 0.54 C ATOM 0 H LEU B 12 140.402 -2.404 -13.151 1.00 0.32 H new ATOM 0 HA LEU B 12 139.704 -2.682 -10.387 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.364 -4.274 -12.435 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.010 -4.782 -12.117 1.00 0.32 H new ATOM 0 HG LEU B 12 139.312 -6.274 -11.113 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.323 -6.411 -8.868 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.547 -6.154 -10.134 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.039 -4.798 -9.100 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.042 -5.526 -9.136 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.650 -3.871 -9.380 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.590 -4.618 -10.598 1.00 0.54 H new ATOM 908 N VAL B 13 142.875 -3.143 -11.292 1.00 0.25 N ATOM 909 CA VAL B 13 144.249 -3.152 -10.791 1.00 0.26 C ATOM 910 C VAL B 13 144.550 -1.875 -10.000 1.00 0.22 C ATOM 911 O VAL B 13 144.936 -1.953 -8.837 1.00 0.26 O ATOM 912 CB VAL B 13 145.290 -3.343 -11.927 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.100 -2.324 -13.043 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.709 -3.281 -11.372 1.00 0.52 C ATOM 0 H VAL B 13 142.793 -3.293 -12.298 1.00 0.25 H new ATOM 0 HA VAL B 13 144.336 -4.009 -10.124 1.00 0.26 H new ATOM 0 HB VAL B 13 145.129 -4.331 -12.358 1.00 0.33 H new ATOM 0 HG11 VAL B 13 145.847 -2.491 -13.819 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.103 -2.434 -13.470 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.214 -1.318 -12.640 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.423 -3.417 -12.184 1.00 0.52 H new ATOM 0 HG22 VAL B 13 146.874 -2.311 -10.902 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.845 -4.070 -10.633 1.00 0.52 H new ATOM 924 N LYS B 14 144.393 -0.705 -10.637 1.00 0.24 N ATOM 925 CA LYS B 14 144.661 0.585 -9.988 1.00 0.25 C ATOM 926 C LYS B 14 144.140 0.634 -8.549 1.00 0.22 C ATOM 927 O LYS B 14 144.844 1.097 -7.653 1.00 0.29 O ATOM 928 CB LYS B 14 144.030 1.722 -10.798 1.00 0.34 C ATOM 929 CG LYS B 14 144.908 2.224 -11.932 1.00 0.87 C ATOM 930 CD LYS B 14 144.203 3.295 -12.750 1.00 0.75 C ATOM 931 CE LYS B 14 144.434 4.684 -12.172 1.00 0.70 C ATOM 932 NZ LYS B 14 144.131 5.762 -13.158 1.00 0.72 N ATOM 0 H LYS B 14 144.080 -0.627 -11.605 1.00 0.24 H new ATOM 0 HA LYS B 14 145.744 0.706 -9.952 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.081 1.380 -11.210 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.806 2.553 -10.128 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.835 2.627 -11.525 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.180 1.390 -12.579 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.563 3.264 -13.778 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.134 3.086 -12.780 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.810 4.816 -11.288 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.470 4.773 -11.846 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.302 6.690 -12.721 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.744 5.653 -13.991 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.135 5.695 -13.450 1.00 0.72 H new ATOM 946 N HIS B 15 142.912 0.156 -8.332 1.00 0.24 N ATOM 947 CA HIS B 15 142.313 0.149 -6.994 1.00 0.27 C ATOM 948 C HIS B 15 143.084 -0.773 -6.050 1.00 0.25 C ATOM 949 O HIS B 15 143.250 -0.465 -4.868 1.00 0.45 O ATOM 950 CB HIS B 15 140.848 -0.295 -7.065 1.00 0.33 C ATOM 951 CG HIS B 15 139.902 0.814 -7.402 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.841 1.171 -6.595 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.860 1.650 -8.466 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.188 2.177 -7.150 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.787 2.486 -8.285 1.00 0.76 N ATOM 0 H HIS B 15 142.314 -0.230 -9.063 1.00 0.24 H new ATOM 0 HA HIS B 15 142.362 1.165 -6.603 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.752 -1.083 -7.812 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.561 -0.727 -6.106 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.544 1.658 -9.302 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.313 2.663 -6.744 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.499 3.227 -8.924 1.00 0.76 H new ATOM 964 N LYS B 16 143.557 -1.899 -6.585 1.00 0.21 N ATOM 965 CA LYS B 16 144.318 -2.870 -5.802 1.00 0.27 C ATOM 966 C LYS B 16 145.699 -2.325 -5.431 1.00 0.36 C ATOM 967 O LYS B 16 146.130 -2.454 -4.284 1.00 0.69 O ATOM 968 CB LYS B 16 144.465 -4.183 -6.578 1.00 0.35 C ATOM 969 CG LYS B 16 143.277 -5.119 -6.417 1.00 0.46 C ATOM 970 CD LYS B 16 143.243 -6.175 -7.512 1.00 0.49 C ATOM 971 CE LYS B 16 144.197 -7.323 -7.215 1.00 0.53 C ATOM 972 NZ LYS B 16 145.479 -7.197 -7.965 1.00 0.61 N ATOM 0 H LYS B 16 143.425 -2.161 -7.562 1.00 0.21 H new ATOM 0 HA LYS B 16 143.768 -3.059 -4.880 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.599 -3.958 -7.636 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.368 -4.694 -6.244 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.326 -5.606 -5.443 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.353 -4.542 -6.439 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.229 -6.561 -7.614 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.508 -5.719 -8.466 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.405 -7.353 -6.145 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.718 -8.267 -7.473 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.098 -8.000 -7.732 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.285 -7.194 -8.987 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.950 -6.309 -7.700 1.00 0.61 H new ATOM 986 N GLU B 17 146.390 -1.716 -6.402 1.00 0.30 N ATOM 987 CA GLU B 17 147.722 -1.154 -6.167 1.00 0.38 C ATOM 988 C GLU B 17 147.650 0.105 -5.300 1.00 0.32 C ATOM 989 O GLU B 17 148.527 0.336 -4.466 1.00 0.40 O ATOM 990 CB GLU B 17 148.406 -0.834 -7.501 1.00 0.51 C ATOM 991 CG GLU B 17 149.851 -0.376 -7.355 1.00 0.80 C ATOM 992 CD GLU B 17 150.011 1.123 -7.527 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.054 1.587 -8.686 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.093 1.834 -6.503 1.00 1.49 O ATOM 0 H GLU B 17 146.048 -1.601 -7.356 1.00 0.30 H new ATOM 0 HA GLU B 17 148.310 -1.900 -5.632 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.378 -1.720 -8.135 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.838 -0.057 -8.013 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.222 -0.666 -6.372 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.467 -0.890 -8.093 1.00 0.80 H new ATOM 1001 N LEU B 18 146.595 0.905 -5.485 1.00 0.32 N ATOM 1002 CA LEU B 18 146.414 2.125 -4.697 1.00 0.34 C ATOM 1003 C LEU B 18 146.254 1.772 -3.221 1.00 0.35 C ATOM 1004 O LEU B 18 146.827 2.429 -2.351 1.00 0.66 O ATOM 1005 CB LEU B 18 145.197 2.919 -5.184 1.00 0.51 C ATOM 1006 CG LEU B 18 145.527 4.173 -5.998 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.356 4.556 -6.893 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.897 5.326 -5.075 1.00 0.75 C ATOM 0 H LEU B 18 145.859 0.730 -6.169 1.00 0.32 H new ATOM 0 HA LEU B 18 147.299 2.749 -4.824 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.573 2.263 -5.792 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.603 3.212 -4.318 1.00 0.51 H new ATOM 0 HG LEU B 18 146.384 3.954 -6.634 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.611 5.449 -7.463 1.00 0.81 H new ATOM 0 HD12 LEU B 18 144.140 3.737 -7.579 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.478 4.756 -6.278 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.129 6.209 -5.671 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.060 5.545 -4.412 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.768 5.051 -4.480 1.00 0.75 H new ATOM 1020 N LEU B 19 145.488 0.710 -2.955 1.00 0.45 N ATOM 1021 CA LEU B 19 145.268 0.241 -1.591 1.00 0.47 C ATOM 1022 C LEU B 19 146.582 -0.238 -0.976 1.00 0.33 C ATOM 1023 O LEU B 19 146.802 -0.089 0.228 1.00 0.45 O ATOM 1024 CB LEU B 19 144.240 -0.895 -1.573 1.00 0.63 C ATOM 1025 CG LEU B 19 142.870 -0.523 -1.001 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.776 -1.360 -1.647 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.859 -0.701 0.511 1.00 0.96 C ATOM 0 H LEU B 19 145.011 0.161 -3.670 1.00 0.45 H new ATOM 0 HA LEU B 19 144.883 1.073 -1.001 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.105 -1.258 -2.592 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.646 -1.723 -0.992 1.00 0.63 H new ATOM 0 HG LEU B 19 142.675 0.526 -1.225 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.809 -1.081 -1.228 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.770 -1.183 -2.723 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.964 -2.416 -1.454 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.878 -0.432 0.902 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.075 -1.741 0.757 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.616 -0.058 0.959 1.00 0.96 H new ATOM 1039 N ARG B 20 147.457 -0.808 -1.815 1.00 0.35 N ATOM 1040 CA ARG B 20 148.751 -1.301 -1.356 1.00 0.49 C ATOM 1041 C ARG B 20 149.600 -0.155 -0.811 1.00 0.40 C ATOM 1042 O ARG B 20 149.975 -0.168 0.363 1.00 0.49 O ATOM 1043 CB ARG B 20 149.492 -2.010 -2.495 1.00 0.76 C ATOM 1044 CG ARG B 20 150.239 -3.257 -2.052 1.00 0.85 C ATOM 1045 CD ARG B 20 150.284 -4.304 -3.155 1.00 0.96 C ATOM 1046 NE ARG B 20 150.113 -5.661 -2.634 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.919 -6.738 -3.400 1.00 1.13 C ATOM 1048 NH1 ARG B 20 149.874 -6.626 -4.725 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.771 -7.932 -2.837 1.00 1.59 N ATOM 0 H ARG B 20 147.288 -0.936 -2.813 1.00 0.35 H new ATOM 0 HA ARG B 20 148.576 -2.018 -0.554 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.775 -2.282 -3.270 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.199 -1.314 -2.946 1.00 0.76 H new ATOM 0 HG2 ARG B 20 151.255 -2.989 -1.762 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.756 -3.677 -1.170 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.502 -4.095 -3.885 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.236 -4.235 -3.681 1.00 0.96 H new ATOM 0 HE ARG B 20 150.144 -5.793 -1.623 1.00 1.06 H new ATOM 0 HH11 ARG B 20 149.988 -5.712 -5.164 1.00 1.68 H new ATOM 0 HH12 ARG B 20 149.725 -7.454 -5.302 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.806 -8.025 -1.822 1.00 1.59 H new ATOM 0 HH22 ARG B 20 149.623 -8.756 -3.420 1.00 1.59 H new ATOM 1063 N ARG B 21 149.908 0.836 -1.663 1.00 0.35 N ATOM 1064 CA ARG B 21 150.718 1.985 -1.255 1.00 0.35 C ATOM 1065 C ARG B 21 150.198 2.612 0.036 1.00 0.34 C ATOM 1066 O ARG B 21 150.987 2.978 0.904 1.00 0.47 O ATOM 1067 CB ARG B 21 150.746 3.037 -2.369 1.00 0.45 C ATOM 1068 CG ARG B 21 152.137 3.574 -2.667 1.00 0.70 C ATOM 1069 CD ARG B 21 152.078 4.860 -3.477 1.00 0.98 C ATOM 1070 NE ARG B 21 152.128 4.608 -4.919 1.00 0.97 N ATOM 1071 CZ ARG B 21 151.871 5.531 -5.849 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.544 6.772 -5.497 1.00 2.12 N ATOM 1073 NH2 ARG B 21 151.944 5.213 -7.138 1.00 1.53 N ATOM 0 H ARG B 21 149.606 0.861 -2.637 1.00 0.35 H new ATOM 0 HA ARG B 21 151.730 1.624 -1.070 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.332 2.602 -3.278 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.098 3.867 -2.089 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.666 3.756 -1.731 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.708 2.824 -3.215 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.161 5.398 -3.235 1.00 0.98 H new ATOM 0 HD3 ARG B 21 152.910 5.505 -3.193 1.00 0.98 H new ATOM 0 HE ARG B 21 152.374 3.669 -5.232 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.488 7.024 -4.510 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.349 7.471 -6.214 1.00 2.12 H new ATOM 0 HH21 ARG B 21 152.196 4.265 -7.416 1.00 1.53 H new ATOM 0 HH22 ARG B 21 151.748 5.918 -7.849 1.00 1.53 H new ATOM 1087 N LYS B 22 148.869 2.739 0.154 1.00 0.30 N ATOM 1088 CA LYS B 22 148.250 3.326 1.348 1.00 0.36 C ATOM 1089 C LYS B 22 148.943 2.834 2.621 1.00 0.31 C ATOM 1090 O LYS B 22 149.295 3.631 3.492 1.00 0.36 O ATOM 1091 CB LYS B 22 146.756 2.994 1.400 1.00 0.47 C ATOM 1092 CG LYS B 22 145.899 4.138 1.918 1.00 0.69 C ATOM 1093 CD LYS B 22 144.508 4.123 1.301 1.00 0.86 C ATOM 1094 CE LYS B 22 143.478 3.534 2.254 1.00 0.70 C ATOM 1095 NZ LYS B 22 142.933 4.554 3.196 1.00 0.70 N ATOM 0 H LYS B 22 148.205 2.444 -0.561 1.00 0.30 H new ATOM 0 HA LYS B 22 148.367 4.408 1.288 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.418 2.720 0.401 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.607 2.122 2.037 1.00 0.47 H new ATOM 0 HG2 LYS B 22 145.817 4.069 3.003 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.386 5.087 1.695 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.217 5.139 1.033 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.525 3.542 0.379 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.660 3.099 1.679 1.00 0.70 H new ATOM 0 HE3 LYS B 22 143.934 2.723 2.823 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.236 4.108 3.826 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.708 4.951 3.764 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.474 5.315 2.656 1.00 0.70 H new ATOM 1109 N ASP B 23 149.160 1.519 2.704 1.00 0.32 N ATOM 1110 CA ASP B 23 149.838 0.918 3.849 1.00 0.32 C ATOM 1111 C ASP B 23 151.344 1.169 3.760 1.00 0.30 C ATOM 1112 O ASP B 23 151.959 1.651 4.708 1.00 0.37 O ATOM 1113 CB ASP B 23 149.555 -0.587 3.911 1.00 0.36 C ATOM 1114 CG ASP B 23 148.692 -0.963 5.099 1.00 0.75 C ATOM 1115 OD1 ASP B 23 149.249 -1.147 6.202 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.459 -1.070 4.928 1.00 1.15 O ATOM 0 H ASP B 23 148.874 0.851 1.988 1.00 0.32 H new ATOM 0 HA ASP B 23 149.457 1.379 4.760 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.059 -0.899 2.992 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.499 -1.130 3.964 1.00 0.36 H new ATOM 1121 N THR B 24 151.927 0.825 2.611 1.00 0.28 N ATOM 1122 CA THR B 24 153.363 1.002 2.374 1.00 0.29 C ATOM 1123 C THR B 24 153.848 2.391 2.816 1.00 0.27 C ATOM 1124 O THR B 24 154.920 2.517 3.408 1.00 0.32 O ATOM 1125 CB THR B 24 153.685 0.786 0.891 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.115 -0.426 0.424 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.171 0.734 0.598 1.00 0.55 C ATOM 0 H THR B 24 151.423 0.419 1.823 1.00 0.28 H new ATOM 0 HA THR B 24 153.888 0.258 2.974 1.00 0.29 H new ATOM 0 HB THR B 24 153.260 1.649 0.378 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.330 -0.545 -0.525 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.326 0.579 -0.470 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.634 1.673 0.899 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.623 -0.088 1.153 1.00 0.55 H new ATOM 1135 N HIS B 25 153.054 3.428 2.524 1.00 0.26 N ATOM 1136 CA HIS B 25 153.405 4.804 2.889 1.00 0.29 C ATOM 1137 C HIS B 25 153.318 5.019 4.399 1.00 0.31 C ATOM 1138 O HIS B 25 154.265 5.514 5.011 1.00 0.41 O ATOM 1139 CB HIS B 25 152.497 5.801 2.162 1.00 0.34 C ATOM 1140 CG HIS B 25 153.201 7.049 1.723 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.117 7.717 2.511 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.119 7.752 0.569 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.566 8.775 1.860 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.976 8.819 0.680 1.00 0.74 N ATOM 0 H HIS B 25 152.163 3.339 2.035 1.00 0.26 H new ATOM 0 HA HIS B 25 154.437 4.975 2.582 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.063 5.313 1.289 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.671 6.073 2.819 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.495 7.517 -0.281 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.292 9.483 2.230 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.132 9.531 -0.034 1.00 0.74 H new ATOM 1153 N ILE B 26 152.193 4.637 5.008 1.00 0.29 N ATOM 1154 CA ILE B 26 152.039 4.788 6.456 1.00 0.35 C ATOM 1155 C ILE B 26 153.013 3.865 7.202 1.00 0.35 C ATOM 1156 O ILE B 26 153.270 4.056 8.391 1.00 0.47 O ATOM 1157 CB ILE B 26 150.590 4.526 6.939 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.071 3.168 6.452 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.667 5.644 6.472 1.00 0.54 C ATOM 1160 CD1 ILE B 26 150.354 2.029 7.408 1.00 0.68 C ATOM 0 H ILE B 26 151.389 4.228 4.531 1.00 0.29 H new ATOM 0 HA ILE B 26 152.272 5.828 6.684 1.00 0.35 H new ATOM 0 HB ILE B 26 150.601 4.506 8.029 1.00 0.41 H new ATOM 0 HG12 ILE B 26 148.995 3.237 6.291 1.00 0.40 H new ATOM 0 HG13 ILE B 26 150.524 2.941 5.487 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.652 5.447 6.818 1.00 0.54 H new ATOM 0 HG22 ILE B 26 150.011 6.594 6.880 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.676 5.692 5.383 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.958 1.101 6.996 1.00 0.68 H new ATOM 0 HD12 ILE B 26 151.430 1.932 7.550 1.00 0.68 H new ATOM 0 HD13 ILE B 26 149.878 2.232 8.367 1.00 0.68 H new ATOM 1172 N ARG B 27 153.570 2.881 6.482 1.00 0.31 N ATOM 1173 CA ARG B 27 154.533 1.946 7.053 1.00 0.37 C ATOM 1174 C ARG B 27 155.946 2.529 6.974 1.00 0.34 C ATOM 1175 O ARG B 27 156.688 2.501 7.958 1.00 0.39 O ATOM 1176 CB ARG B 27 154.469 0.603 6.318 1.00 0.46 C ATOM 1177 CG ARG B 27 155.497 -0.412 6.797 1.00 0.53 C ATOM 1178 CD ARG B 27 156.691 -0.485 5.857 1.00 0.80 C ATOM 1179 NE ARG B 27 157.049 -1.866 5.529 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.940 -2.595 6.209 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.571 -2.086 7.265 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.200 -3.842 5.830 1.00 1.67 N ATOM 0 H ARG B 27 153.364 2.717 5.497 1.00 0.31 H new ATOM 0 HA ARG B 27 154.282 1.781 8.101 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.472 0.180 6.440 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.614 0.776 5.252 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.836 -0.143 7.797 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.031 -1.395 6.872 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.463 0.058 4.940 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.545 0.011 6.317 1.00 0.80 H new ATOM 0 HE ARG B 27 156.589 -2.301 4.729 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.377 -1.130 7.563 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.249 -2.652 7.776 1.00 1.21 H new ATOM 0 HH21 ARG B 27 157.720 -4.240 5.023 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.879 -4.401 6.346 1.00 1.67 H new ATOM 1196 N GLU B 28 156.310 3.072 5.804 1.00 0.33 N ATOM 1197 CA GLU B 28 157.632 3.674 5.624 1.00 0.36 C ATOM 1198 C GLU B 28 157.760 4.926 6.491 1.00 0.35 C ATOM 1199 O GLU B 28 158.767 5.111 7.177 1.00 0.44 O ATOM 1200 CB GLU B 28 157.916 4.003 4.147 1.00 0.47 C ATOM 1201 CG GLU B 28 156.839 4.831 3.461 1.00 0.78 C ATOM 1202 CD GLU B 28 157.275 6.260 3.196 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.094 6.471 2.276 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.797 7.168 3.906 1.00 1.79 O ATOM 0 H GLU B 28 155.713 3.105 4.978 1.00 0.33 H new ATOM 0 HA GLU B 28 158.377 2.944 5.940 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.863 4.540 4.084 1.00 0.47 H new ATOM 0 HB3 GLU B 28 158.042 3.069 3.599 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.569 4.357 2.517 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.943 4.839 4.081 1.00 0.78 H new ATOM 1211 N LEU B 29 156.722 5.770 6.473 1.00 0.33 N ATOM 1212 CA LEU B 29 156.703 6.992 7.278 1.00 0.38 C ATOM 1213 C LEU B 29 156.672 6.668 8.778 1.00 0.42 C ATOM 1214 O LEU B 29 156.926 7.540 9.610 1.00 0.79 O ATOM 1215 CB LEU B 29 155.494 7.857 6.907 1.00 0.46 C ATOM 1216 CG LEU B 29 155.765 9.364 6.860 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.566 9.901 5.450 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.870 10.100 7.848 1.00 0.59 C ATOM 0 H LEU B 29 155.885 5.627 5.909 1.00 0.33 H new ATOM 0 HA LEU B 29 157.618 7.545 7.065 1.00 0.38 H new ATOM 0 HB2 LEU B 29 155.125 7.539 5.932 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.697 7.669 7.627 1.00 0.46 H new ATOM 0 HG LEU B 29 156.803 9.535 7.146 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.763 10.973 5.438 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.252 9.398 4.769 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.540 9.717 5.132 1.00 0.82 H new ATOM 0 HD21 LEU B 29 155.077 11.169 7.800 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.825 9.921 7.595 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.066 9.737 8.857 1.00 0.59 H new ATOM 1230 N GLU B 30 156.391 5.401 9.110 1.00 0.43 N ATOM 1231 CA GLU B 30 156.364 4.957 10.501 1.00 0.45 C ATOM 1232 C GLU B 30 157.785 4.884 11.061 1.00 0.44 C ATOM 1233 O GLU B 30 157.998 5.086 12.257 1.00 0.58 O ATOM 1234 CB GLU B 30 155.677 3.593 10.625 1.00 0.51 C ATOM 1235 CG GLU B 30 154.657 3.528 11.750 1.00 0.58 C ATOM 1236 CD GLU B 30 155.277 3.756 13.117 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.745 2.774 13.729 1.00 1.26 O ATOM 1238 OE2 GLU B 30 155.295 4.919 13.575 1.00 1.35 O ATOM 0 H GLU B 30 156.180 4.669 8.431 1.00 0.43 H new ATOM 0 HA GLU B 30 155.792 5.683 11.079 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.182 3.357 9.683 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.435 2.827 10.788 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.883 4.276 11.577 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.168 2.554 11.735 1.00 0.58 H new ATOM 1245 N ASP B 31 158.758 4.625 10.178 1.00 0.41 N ATOM 1246 CA ASP B 31 160.164 4.558 10.567 1.00 0.55 C ATOM 1247 C ASP B 31 160.772 5.961 10.593 1.00 0.57 C ATOM 1248 O ASP B 31 161.648 6.253 11.409 1.00 0.76 O ATOM 1249 CB ASP B 31 160.947 3.664 9.600 1.00 0.69 C ATOM 1250 CG ASP B 31 162.314 3.286 10.138 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.405 2.283 10.877 1.00 1.74 O ATOM 1252 OD2 ASP B 31 163.294 3.994 9.822 1.00 1.66 O ATOM 0 H ASP B 31 158.591 4.458 9.186 1.00 0.41 H new ATOM 0 HA ASP B 31 160.225 4.127 11.566 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.374 2.758 9.403 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.065 4.180 8.647 1.00 0.69 H new ATOM 1257 N TYR B 32 160.278 6.831 9.703 1.00 0.49 N ATOM 1258 CA TYR B 32 160.748 8.213 9.631 1.00 0.56 C ATOM 1259 C TYR B 32 160.435 8.939 10.937 1.00 0.56 C ATOM 1260 O TYR B 32 161.266 9.684 11.460 1.00 0.67 O ATOM 1261 CB TYR B 32 160.098 8.946 8.452 1.00 0.60 C ATOM 1262 CG TYR B 32 160.515 8.422 7.092 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.800 7.937 6.872 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.622 8.413 6.028 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.180 7.459 5.633 1.00 1.37 C ATOM 1266 CE2 TYR B 32 159.996 7.936 4.786 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.275 7.460 4.594 1.00 1.21 C ATOM 1268 OH TYR B 32 161.649 6.986 3.358 1.00 1.53 O ATOM 0 H TYR B 32 159.553 6.599 9.024 1.00 0.49 H new ATOM 0 HA TYR B 32 161.827 8.204 9.477 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.015 8.869 8.543 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.348 10.005 8.514 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.513 7.934 7.684 1.00 1.15 H new ATOM 0 HD2 TYR B 32 158.619 8.785 6.174 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.182 7.086 5.479 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.289 7.936 3.969 1.00 1.17 H new ATOM 0 HH TYR B 32 160.893 7.056 2.738 1.00 1.53 H new ATOM 1278 N ILE B 33 159.235 8.694 11.468 1.00 0.54 N ATOM 1279 CA ILE B 33 158.808 9.299 12.726 1.00 0.64 C ATOM 1280 C ILE B 33 159.486 8.603 13.904 1.00 0.58 C ATOM 1281 O ILE B 33 159.972 9.262 14.826 1.00 0.78 O ATOM 1282 CB ILE B 33 157.274 9.217 12.903 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.560 9.910 11.739 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.853 9.834 14.232 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.181 9.352 11.457 1.00 0.87 C ATOM 0 H ILE B 33 158.542 8.078 11.043 1.00 0.54 H new ATOM 0 HA ILE B 33 159.099 10.349 12.699 1.00 0.64 H new ATOM 0 HB ILE B 33 156.986 8.166 12.906 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.475 10.974 11.958 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.171 9.817 10.841 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.770 9.767 14.338 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.332 9.296 15.051 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.156 10.881 14.259 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.735 9.890 10.621 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.261 8.294 11.207 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.553 9.469 12.340 1.00 0.87 H new ATOM 1297 N ASP B 34 159.499 7.263 13.867 1.00 0.46 N ATOM 1298 CA ASP B 34 160.100 6.441 14.923 1.00 0.50 C ATOM 1299 C ASP B 34 161.451 6.978 15.402 1.00 0.40 C ATOM 1300 O ASP B 34 161.814 6.756 16.552 1.00 0.45 O ATOM 1301 CB ASP B 34 160.269 4.997 14.441 1.00 0.69 C ATOM 1302 CG ASP B 34 159.542 4.003 15.326 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.099 3.628 16.381 1.00 1.34 O ATOM 1304 OD2 ASP B 34 158.416 3.601 14.966 1.00 1.46 O ATOM 0 H ASP B 34 159.093 6.721 13.104 1.00 0.46 H new ATOM 0 HA ASP B 34 159.415 6.478 15.770 1.00 0.50 H new ATOM 0 HB2 ASP B 34 159.896 4.912 13.420 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.330 4.748 14.414 1.00 0.69 H new ATOM 1309 N ASN B 35 162.190 7.665 14.517 1.00 0.52 N ATOM 1310 CA ASN B 35 163.508 8.232 14.843 1.00 0.58 C ATOM 1311 C ASN B 35 163.590 8.693 16.299 1.00 0.49 C ATOM 1312 O ASN B 35 164.585 8.438 16.980 1.00 0.61 O ATOM 1313 CB ASN B 35 163.825 9.401 13.908 1.00 0.78 C ATOM 1314 CG ASN B 35 164.724 8.991 12.755 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.942 8.900 12.906 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.126 8.739 11.595 1.00 1.31 N ATOM 0 H ASN B 35 161.892 7.843 13.558 1.00 0.52 H new ATOM 0 HA ASN B 35 164.246 7.442 14.704 1.00 0.58 H new ATOM 0 HB2 ASN B 35 162.895 9.809 13.513 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.307 10.197 14.476 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.680 8.458 10.786 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.113 8.827 11.514 1.00 1.31 H new ATOM 1323 N LEU B 36 162.533 9.359 16.774 1.00 0.44 N ATOM 1324 CA LEU B 36 162.479 9.840 18.154 1.00 0.51 C ATOM 1325 C LEU B 36 162.738 8.694 19.135 1.00 0.47 C ATOM 1326 O LEU B 36 163.572 8.815 20.035 1.00 0.59 O ATOM 1327 CB LEU B 36 161.118 10.482 18.448 1.00 0.71 C ATOM 1328 CG LEU B 36 160.674 11.562 17.455 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.223 11.949 17.700 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.581 12.782 17.550 1.00 1.64 C ATOM 0 H LEU B 36 161.704 9.576 16.221 1.00 0.44 H new ATOM 0 HA LEU B 36 163.257 10.593 18.281 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.362 9.697 18.468 1.00 0.71 H new ATOM 0 HB3 LEU B 36 161.149 10.920 19.446 1.00 0.71 H new ATOM 0 HG LEU B 36 160.753 11.156 16.447 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.926 12.717 16.986 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.587 11.073 17.577 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.116 12.335 18.714 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.250 13.538 16.838 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.537 13.191 18.559 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.606 12.492 17.321 1.00 1.64 H new ATOM 1342 N LEU B 37 162.025 7.580 18.944 1.00 0.41 N ATOM 1343 CA LEU B 37 162.179 6.407 19.799 1.00 0.48 C ATOM 1344 C LEU B 37 162.618 5.167 18.999 1.00 0.41 C ATOM 1345 O LEU B 37 161.936 4.141 19.005 1.00 0.54 O ATOM 1346 CB LEU B 37 160.868 6.119 20.545 1.00 0.65 C ATOM 1347 CG LEU B 37 159.621 6.007 19.659 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.670 4.951 20.205 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.921 7.356 19.550 1.00 0.69 C ATOM 0 H LEU B 37 161.334 7.469 18.202 1.00 0.41 H new ATOM 0 HA LEU B 37 162.965 6.628 20.521 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.983 5.189 21.102 1.00 0.65 H new ATOM 0 HB3 LEU B 37 160.704 6.910 21.277 1.00 0.65 H new ATOM 0 HG LEU B 37 159.934 5.701 18.661 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.791 4.886 19.563 1.00 0.80 H new ATOM 0 HD12 LEU B 37 159.174 3.985 20.229 1.00 0.80 H new ATOM 0 HD13 LEU B 37 158.363 5.225 21.214 1.00 0.80 H new ATOM 0 HD21 LEU B 37 158.039 7.258 18.918 1.00 0.69 H new ATOM 0 HD22 LEU B 37 158.621 7.691 20.543 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.602 8.085 19.111 1.00 0.69 H new ATOM 1361 N VAL B 38 163.779 5.249 18.339 1.00 0.36 N ATOM 1362 CA VAL B 38 164.315 4.112 17.584 1.00 0.49 C ATOM 1363 C VAL B 38 165.440 3.460 18.382 1.00 0.67 C ATOM 1364 O VAL B 38 166.590 3.411 17.939 1.00 1.35 O ATOM 1365 CB VAL B 38 164.848 4.508 16.185 1.00 0.64 C ATOM 1366 CG1 VAL B 38 165.443 3.302 15.466 1.00 1.31 C ATOM 1367 CG2 VAL B 38 163.750 5.120 15.344 1.00 0.89 C ATOM 0 H VAL B 38 164.362 6.086 18.313 1.00 0.36 H new ATOM 0 HA VAL B 38 163.490 3.417 17.429 1.00 0.49 H new ATOM 0 HB VAL B 38 165.634 5.250 16.328 1.00 0.64 H new ATOM 0 HG11 VAL B 38 165.810 3.607 14.486 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.268 2.899 16.053 1.00 1.31 H new ATOM 0 HG13 VAL B 38 164.677 2.537 15.344 1.00 1.31 H new ATOM 0 HG21 VAL B 38 164.148 5.390 14.366 1.00 0.89 H new ATOM 0 HG22 VAL B 38 162.942 4.399 15.220 1.00 0.89 H new ATOM 0 HG23 VAL B 38 163.367 6.013 15.839 1.00 0.89 H new ATOM 1377 N ARG B 39 165.084 2.920 19.544 1.00 0.54 N ATOM 1378 CA ARG B 39 166.017 2.212 20.416 1.00 0.62 C ATOM 1379 C ARG B 39 165.353 1.990 21.775 1.00 0.51 C ATOM 1380 O ARG B 39 165.880 2.392 22.812 1.00 0.63 O ATOM 1381 CB ARG B 39 167.337 2.988 20.584 1.00 0.93 C ATOM 1382 CG ARG B 39 168.523 2.384 19.833 1.00 1.15 C ATOM 1383 CD ARG B 39 168.451 0.863 19.762 1.00 1.41 C ATOM 1384 NE ARG B 39 167.755 0.401 18.558 1.00 1.58 N ATOM 1385 CZ ARG B 39 167.251 -0.828 18.407 1.00 1.77 C ATOM 1386 NH1 ARG B 39 167.375 -1.733 19.374 1.00 2.06 N ATOM 1387 NH2 ARG B 39 166.623 -1.152 17.282 1.00 2.18 N ATOM 0 H ARG B 39 164.133 2.962 19.910 1.00 0.54 H new ATOM 0 HA ARG B 39 166.263 1.253 19.960 1.00 0.62 H new ATOM 0 HB2 ARG B 39 167.189 4.012 20.241 1.00 0.93 H new ATOM 0 HB3 ARG B 39 167.582 3.039 21.645 1.00 0.93 H new ATOM 0 HG2 ARG B 39 168.555 2.791 18.822 1.00 1.15 H new ATOM 0 HG3 ARG B 39 169.450 2.679 20.325 1.00 1.15 H new ATOM 0 HD2 ARG B 39 169.460 0.451 19.778 1.00 1.41 H new ATOM 0 HD3 ARG B 39 167.938 0.483 20.645 1.00 1.41 H new ATOM 0 HE ARG B 39 167.648 1.059 17.786 1.00 1.58 H new ATOM 0 HH11 ARG B 39 167.858 -1.492 20.239 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.987 -2.668 19.250 1.00 2.06 H new ATOM 0 HH21 ARG B 39 166.526 -0.464 16.536 1.00 2.18 H new ATOM 0 HH22 ARG B 39 166.238 -2.089 17.165 1.00 2.18 H new ATOM 1401 N VAL B 40 164.187 1.338 21.740 1.00 0.43 N ATOM 1402 CA VAL B 40 163.400 1.032 22.944 1.00 0.56 C ATOM 1403 C VAL B 40 162.015 0.513 22.561 1.00 0.71 C ATOM 1404 O VAL B 40 161.213 1.245 21.978 1.00 1.15 O ATOM 1405 CB VAL B 40 163.207 2.258 23.879 1.00 0.60 C ATOM 1406 CG1 VAL B 40 164.258 2.273 24.983 1.00 1.04 C ATOM 1407 CG2 VAL B 40 163.217 3.567 23.094 1.00 0.65 C ATOM 0 H VAL B 40 163.759 1.006 20.876 1.00 0.43 H new ATOM 0 HA VAL B 40 163.971 0.275 23.482 1.00 0.56 H new ATOM 0 HB VAL B 40 162.227 2.164 24.347 1.00 0.60 H new ATOM 0 HG11 VAL B 40 164.101 3.141 25.623 1.00 1.04 H new ATOM 0 HG12 VAL B 40 164.174 1.363 25.578 1.00 1.04 H new ATOM 0 HG13 VAL B 40 165.252 2.326 24.539 1.00 1.04 H new ATOM 0 HG21 VAL B 40 163.080 4.403 23.779 1.00 0.65 H new ATOM 0 HG22 VAL B 40 164.171 3.674 22.577 1.00 0.65 H new ATOM 0 HG23 VAL B 40 162.408 3.560 22.364 1.00 0.65 H new ATOM 1417 N MET B 41 161.738 -0.749 22.891 1.00 0.60 N ATOM 1418 CA MET B 41 160.444 -1.358 22.579 1.00 0.74 C ATOM 1419 C MET B 41 160.256 -2.672 23.336 1.00 0.91 C ATOM 1420 O MET B 41 161.134 -3.556 23.222 1.00 0.91 O ATOM 1421 CB MET B 41 160.311 -1.597 21.070 1.00 0.73 C ATOM 1422 CG MET B 41 159.336 -0.650 20.385 1.00 0.74 C ATOM 1423 SD MET B 41 159.028 -1.093 18.664 1.00 0.86 S ATOM 1424 CE MET B 41 159.646 0.363 17.822 1.00 0.70 C ATOM 1425 OXT MET B 41 159.232 -2.807 24.039 1.00 1.13 O ATOM 0 H MET B 41 162.390 -1.368 23.373 1.00 0.60 H new ATOM 0 HA MET B 41 159.665 -0.665 22.897 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.292 -1.492 20.607 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.986 -2.624 20.901 1.00 0.73 H new ATOM 0 HG2 MET B 41 158.392 -0.650 20.930 1.00 0.74 H new ATOM 0 HG3 MET B 41 159.730 0.365 20.430 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.524 0.240 16.746 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.088 1.239 18.153 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.702 0.497 18.055 1.00 0.70 H new