USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 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= -0.0286 X(o=-0.029,f=-0.058) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.23) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc=-0.000494 (180deg=-0.462) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.0091) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.06) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=-0.29) USER MOD Single : B 16 LYS NZ :NH3+ -156:sc=-0.000989 (180deg=-0.469) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.01) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.435 -18.373 -19.711 1.00 0.77 N ATOM 2 CA GLY A 1 131.125 -18.366 -18.999 1.00 0.81 C ATOM 3 C GLY A 1 130.895 -17.087 -18.216 1.00 0.65 C ATOM 4 O GLY A 1 130.660 -16.028 -18.803 1.00 0.70 O ATOM 0 H1 GLY A 1 132.543 -19.268 -20.230 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.471 -17.578 -20.380 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.206 -18.278 -19.020 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.321 -18.494 -19.724 1.00 0.81 H new ATOM 0 HA3 GLY A 1 131.080 -19.217 -18.319 1.00 0.81 H new ATOM 10 N SER A 2 130.968 -17.184 -16.888 1.00 0.55 N ATOM 11 CA SER A 2 130.770 -16.024 -16.019 1.00 0.48 C ATOM 12 C SER A 2 132.096 -15.348 -15.661 1.00 0.47 C ATOM 13 O SER A 2 132.107 -14.359 -14.926 1.00 0.71 O ATOM 14 CB SER A 2 130.027 -16.435 -14.743 1.00 0.54 C ATOM 15 OG SER A 2 128.649 -16.116 -14.830 1.00 0.67 O ATOM 0 H SER A 2 131.163 -18.053 -16.391 1.00 0.55 H new ATOM 0 HA SER A 2 130.167 -15.302 -16.570 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.146 -17.506 -14.578 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.467 -15.929 -13.883 1.00 0.54 H new ATOM 0 HG SER A 2 128.197 -16.390 -14.005 1.00 0.67 H new ATOM 21 N LEU A 3 133.208 -15.856 -16.206 1.00 0.38 N ATOM 22 CA LEU A 3 134.523 -15.263 -15.958 1.00 0.43 C ATOM 23 C LEU A 3 134.804 -14.211 -17.031 1.00 0.53 C ATOM 24 O LEU A 3 135.836 -14.238 -17.705 1.00 0.88 O ATOM 25 CB LEU A 3 135.633 -16.334 -15.944 1.00 0.48 C ATOM 26 CG LEU A 3 135.164 -17.795 -15.929 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.334 -18.732 -16.189 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.492 -18.133 -14.603 1.00 1.42 C ATOM 0 H LEU A 3 133.222 -16.672 -16.818 1.00 0.38 H new ATOM 0 HA LEU A 3 134.517 -14.794 -14.974 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.264 -16.185 -16.821 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.260 -16.166 -15.068 1.00 0.48 H new ATOM 0 HG LEU A 3 134.432 -17.927 -16.725 1.00 0.85 H new ATOM 0 HD11 LEU A 3 135.984 -19.764 -16.175 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.769 -18.510 -17.164 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.089 -18.595 -15.415 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.167 -19.173 -14.614 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.200 -17.983 -13.788 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.628 -17.485 -14.457 1.00 1.42 H new ATOM 40 N THR A 4 133.847 -13.298 -17.194 1.00 0.41 N ATOM 41 CA THR A 4 133.931 -12.237 -18.190 1.00 0.49 C ATOM 42 C THR A 4 133.524 -10.894 -17.580 1.00 0.39 C ATOM 43 O THR A 4 133.597 -10.715 -16.366 1.00 0.39 O ATOM 44 CB THR A 4 133.040 -12.585 -19.390 1.00 0.65 C ATOM 45 OG1 THR A 4 131.698 -12.786 -18.981 1.00 0.64 O ATOM 46 CG2 THR A 4 133.485 -13.831 -20.127 1.00 0.80 C ATOM 0 H THR A 4 132.992 -13.275 -16.638 1.00 0.41 H new ATOM 0 HA THR A 4 134.962 -12.149 -18.532 1.00 0.49 H new ATOM 0 HB THR A 4 133.124 -11.733 -20.064 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.147 -13.005 -19.762 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.812 -14.019 -20.963 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.499 -13.689 -20.502 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.465 -14.683 -19.447 1.00 0.80 H new ATOM 54 N TYR A 5 133.129 -9.943 -18.431 1.00 0.48 N ATOM 55 CA TYR A 5 132.734 -8.598 -17.994 1.00 0.46 C ATOM 56 C TYR A 5 131.784 -8.602 -16.789 1.00 0.42 C ATOM 57 O TYR A 5 131.814 -7.672 -15.983 1.00 0.47 O ATOM 58 CB TYR A 5 132.078 -7.851 -19.160 1.00 0.59 C ATOM 59 CG TYR A 5 131.972 -6.354 -18.956 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.056 -5.611 -18.504 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.784 -5.684 -19.223 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.959 -4.244 -18.325 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.680 -4.318 -19.046 1.00 0.90 C ATOM 64 CZ TYR A 5 131.770 -3.603 -18.597 1.00 0.65 C ATOM 65 OH TYR A 5 131.670 -2.241 -18.422 1.00 0.79 O ATOM 0 H TYR A 5 133.074 -10.082 -19.440 1.00 0.48 H new ATOM 0 HA TYR A 5 133.645 -8.093 -17.674 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.650 -8.043 -20.068 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.079 -8.256 -19.321 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.989 -6.110 -18.289 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.928 -6.241 -19.575 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.811 -3.681 -17.974 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.749 -3.813 -19.258 1.00 0.90 H new ATOM 0 HH TYR A 5 130.766 -1.946 -18.659 1.00 0.79 H new ATOM 75 N GLU A 6 130.946 -9.636 -16.653 1.00 0.48 N ATOM 76 CA GLU A 6 130.011 -9.714 -15.527 1.00 0.50 C ATOM 77 C GLU A 6 130.720 -10.109 -14.226 1.00 0.38 C ATOM 78 O GLU A 6 130.156 -9.966 -13.140 1.00 0.47 O ATOM 79 CB GLU A 6 128.895 -10.719 -15.835 1.00 0.60 C ATOM 80 CG GLU A 6 127.593 -10.069 -16.279 1.00 0.65 C ATOM 81 CD GLU A 6 126.464 -11.070 -16.435 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.765 -11.338 -15.435 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.277 -11.586 -17.558 1.00 1.16 O ATOM 0 H GLU A 6 130.896 -10.422 -17.301 1.00 0.48 H new ATOM 0 HA GLU A 6 129.581 -8.722 -15.388 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.236 -11.399 -16.615 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.706 -11.322 -14.947 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.303 -9.311 -15.551 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.752 -9.556 -17.228 1.00 0.65 H new ATOM 90 N GLU A 7 131.955 -10.606 -14.342 1.00 0.30 N ATOM 91 CA GLU A 7 132.735 -11.018 -13.177 1.00 0.29 C ATOM 92 C GLU A 7 133.503 -9.838 -12.584 1.00 0.28 C ATOM 93 O GLU A 7 133.599 -9.706 -11.362 1.00 0.46 O ATOM 94 CB GLU A 7 133.713 -12.135 -13.556 1.00 0.40 C ATOM 95 CG GLU A 7 133.837 -13.221 -12.498 1.00 0.56 C ATOM 96 CD GLU A 7 135.056 -13.038 -11.614 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.141 -13.532 -11.988 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.926 -12.400 -10.548 1.00 0.81 O ATOM 0 H GLU A 7 132.434 -10.732 -15.233 1.00 0.30 H new ATOM 0 HA GLU A 7 132.039 -11.391 -12.425 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.389 -12.588 -14.493 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.696 -11.700 -13.735 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.940 -13.223 -11.878 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.890 -14.194 -12.986 1.00 0.56 H new ATOM 105 N VAL A 8 134.045 -8.979 -13.452 1.00 0.34 N ATOM 106 CA VAL A 8 134.798 -7.809 -13.005 1.00 0.36 C ATOM 107 C VAL A 8 133.872 -6.760 -12.383 1.00 0.28 C ATOM 108 O VAL A 8 134.252 -6.081 -11.428 1.00 0.39 O ATOM 109 CB VAL A 8 135.605 -7.174 -14.165 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.690 -6.448 -15.143 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.673 -6.234 -13.626 1.00 0.77 C ATOM 0 H VAL A 8 133.975 -9.073 -14.465 1.00 0.34 H new ATOM 0 HA VAL A 8 135.500 -8.154 -12.245 1.00 0.36 H new ATOM 0 HB VAL A 8 136.099 -7.980 -14.708 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.286 -6.013 -15.945 1.00 0.46 H new ATOM 0 HG12 VAL A 8 133.974 -7.154 -15.564 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.153 -5.656 -14.620 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.228 -5.799 -14.457 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.200 -5.439 -13.049 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.357 -6.790 -12.985 1.00 0.77 H new ATOM 121 N LEU A 9 132.658 -6.632 -12.932 1.00 0.36 N ATOM 122 CA LEU A 9 131.678 -5.666 -12.430 1.00 0.49 C ATOM 123 C LEU A 9 131.453 -5.840 -10.928 1.00 0.53 C ATOM 124 O LEU A 9 131.534 -4.873 -10.169 1.00 0.73 O ATOM 125 CB LEU A 9 130.350 -5.809 -13.181 1.00 0.66 C ATOM 126 CG LEU A 9 130.324 -5.187 -14.580 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.158 -5.736 -15.390 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.245 -3.668 -14.490 1.00 0.72 C ATOM 0 H LEU A 9 132.332 -7.186 -13.724 1.00 0.36 H new ATOM 0 HA LEU A 9 132.076 -4.666 -12.603 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.112 -6.869 -13.267 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.561 -5.353 -12.583 1.00 0.66 H new ATOM 0 HG LEU A 9 131.250 -5.453 -15.089 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.157 -5.282 -16.381 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.259 -6.817 -15.487 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.221 -5.503 -14.883 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.228 -3.244 -15.494 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.337 -3.382 -13.960 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.114 -3.290 -13.952 1.00 0.72 H new ATOM 140 N GLN A 10 131.174 -7.077 -10.502 1.00 0.42 N ATOM 141 CA GLN A 10 130.943 -7.373 -9.085 1.00 0.49 C ATOM 142 C GLN A 10 132.204 -7.138 -8.246 1.00 0.43 C ATOM 143 O GLN A 10 132.117 -6.933 -7.034 1.00 0.50 O ATOM 144 CB GLN A 10 130.469 -8.819 -8.914 1.00 0.60 C ATOM 145 CG GLN A 10 129.009 -9.030 -9.287 1.00 0.69 C ATOM 146 CD GLN A 10 128.053 -8.450 -8.260 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.596 -7.315 -8.394 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.747 -9.227 -7.225 1.00 0.84 N ATOM 0 H GLN A 10 131.103 -7.887 -11.117 1.00 0.42 H new ATOM 0 HA GLN A 10 130.169 -6.693 -8.730 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.090 -9.471 -9.528 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.618 -9.121 -7.877 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.816 -8.572 -10.257 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.816 -10.097 -9.395 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.148 -10.162 -7.153 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.111 -8.888 -6.503 1.00 0.84 H new ATOM 157 N GLU A 11 133.371 -7.145 -8.898 1.00 0.41 N ATOM 158 CA GLU A 11 134.641 -6.906 -8.215 1.00 0.44 C ATOM 159 C GLU A 11 134.874 -5.406 -8.035 1.00 0.40 C ATOM 160 O GLU A 11 135.494 -4.977 -7.060 1.00 0.56 O ATOM 161 CB GLU A 11 135.800 -7.519 -9.008 1.00 0.52 C ATOM 162 CG GLU A 11 136.057 -8.981 -8.687 1.00 0.63 C ATOM 163 CD GLU A 11 137.170 -9.575 -9.530 1.00 1.02 C ATOM 164 OE1 GLU A 11 136.871 -10.100 -10.624 1.00 1.64 O ATOM 165 OE2 GLU A 11 138.341 -9.512 -9.099 1.00 1.54 O ATOM 0 H GLU A 11 133.460 -7.314 -9.900 1.00 0.41 H new ATOM 0 HA GLU A 11 134.596 -7.379 -7.234 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.590 -7.422 -10.073 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.707 -6.948 -8.808 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.313 -9.078 -7.632 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.142 -9.551 -8.846 1.00 0.63 H new ATOM 172 N LEU A 12 134.360 -4.614 -8.983 1.00 0.34 N ATOM 173 CA LEU A 12 134.494 -3.161 -8.935 1.00 0.34 C ATOM 174 C LEU A 12 133.786 -2.606 -7.701 1.00 0.31 C ATOM 175 O LEU A 12 134.417 -1.979 -6.849 1.00 0.39 O ATOM 176 CB LEU A 12 133.927 -2.523 -10.211 1.00 0.36 C ATOM 177 CG LEU A 12 134.700 -1.307 -10.735 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.620 -0.153 -9.745 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.152 -1.673 -11.018 1.00 0.59 C ATOM 0 H LEU A 12 133.847 -4.960 -9.793 1.00 0.34 H new ATOM 0 HA LEU A 12 135.554 -2.913 -8.871 1.00 0.34 H new ATOM 0 HB2 LEU A 12 133.899 -3.280 -10.995 1.00 0.36 H new ATOM 0 HB3 LEU A 12 132.896 -2.223 -10.021 1.00 0.36 H new ATOM 0 HG LEU A 12 134.240 -0.988 -11.670 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.175 0.700 -10.135 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.577 0.129 -9.598 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.051 -0.461 -8.792 1.00 0.65 H new ATOM 0 HD21 LEU A 12 136.683 -0.796 -11.389 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.625 -2.022 -10.100 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.189 -2.463 -11.768 1.00 0.59 H new ATOM 191 N VAL A 13 132.471 -2.837 -7.613 1.00 0.26 N ATOM 192 CA VAL A 13 131.685 -2.357 -6.479 1.00 0.26 C ATOM 193 C VAL A 13 132.294 -2.832 -5.157 1.00 0.22 C ATOM 194 O VAL A 13 132.552 -2.016 -4.272 1.00 0.24 O ATOM 195 CB VAL A 13 130.196 -2.779 -6.578 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.025 -4.286 -6.421 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.358 -2.025 -5.551 1.00 0.53 C ATOM 0 H VAL A 13 131.934 -3.351 -8.312 1.00 0.26 H new ATOM 0 HA VAL A 13 131.714 -1.268 -6.507 1.00 0.26 H new ATOM 0 HB VAL A 13 129.842 -2.516 -7.575 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.968 -4.542 -6.496 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.580 -4.799 -7.207 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.405 -4.596 -5.447 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.316 -2.333 -5.635 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.723 -2.248 -4.549 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.435 -0.953 -5.735 1.00 0.53 H new ATOM 207 N LYS A 14 132.520 -4.148 -5.023 1.00 0.24 N ATOM 208 CA LYS A 14 133.099 -4.720 -3.805 1.00 0.23 C ATOM 209 C LYS A 14 134.290 -3.903 -3.304 1.00 0.21 C ATOM 210 O LYS A 14 134.422 -3.671 -2.102 1.00 0.28 O ATOM 211 CB LYS A 14 133.534 -6.167 -4.052 1.00 0.30 C ATOM 212 CG LYS A 14 132.543 -7.199 -3.537 1.00 0.84 C ATOM 213 CD LYS A 14 132.925 -8.606 -3.972 1.00 0.68 C ATOM 214 CE LYS A 14 133.144 -9.522 -2.776 1.00 0.73 C ATOM 215 NZ LYS A 14 132.706 -10.921 -3.052 1.00 0.75 N ATOM 0 H LYS A 14 132.309 -4.835 -5.747 1.00 0.24 H new ATOM 0 HA LYS A 14 132.327 -4.697 -3.036 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.678 -6.316 -5.122 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.500 -6.333 -3.575 1.00 0.30 H new ATOM 0 HG2 LYS A 14 132.501 -7.153 -2.449 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.545 -6.962 -3.905 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.140 -9.017 -4.607 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.834 -8.568 -4.573 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.200 -9.520 -2.507 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.596 -9.134 -1.918 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.873 -11.509 -2.211 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.692 -10.928 -3.283 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.247 -11.302 -3.854 1.00 0.75 H new ATOM 229 N HIS A 15 135.148 -3.455 -4.227 1.00 0.25 N ATOM 230 CA HIS A 15 136.311 -2.652 -3.856 1.00 0.27 C ATOM 231 C HIS A 15 135.857 -1.350 -3.202 1.00 0.23 C ATOM 232 O HIS A 15 136.042 -1.158 -1.998 1.00 0.43 O ATOM 233 CB HIS A 15 137.179 -2.353 -5.085 1.00 0.33 C ATOM 234 CG HIS A 15 138.183 -3.422 -5.393 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.019 -3.970 -4.441 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.487 -4.044 -6.558 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.792 -4.879 -5.007 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.489 -4.944 -6.290 1.00 0.72 N ATOM 0 H HIS A 15 135.058 -3.634 -5.227 1.00 0.25 H new ATOM 0 HA HIS A 15 136.911 -3.219 -3.144 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.531 -2.216 -5.951 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.703 -1.410 -4.927 1.00 0.33 H new ATOM 0 HD2 HIS A 15 138.027 -3.865 -7.519 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.545 -5.469 -4.505 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.928 -5.563 -6.972 1.00 0.72 H new ATOM 247 N LYS A 16 135.275 -0.453 -4.007 1.00 0.21 N ATOM 248 CA LYS A 16 134.797 0.843 -3.524 1.00 0.25 C ATOM 249 C LYS A 16 134.000 0.723 -2.225 1.00 0.32 C ATOM 250 O LYS A 16 134.165 1.548 -1.324 1.00 0.62 O ATOM 251 CB LYS A 16 133.933 1.518 -4.593 1.00 0.37 C ATOM 252 CG LYS A 16 134.715 1.976 -5.815 1.00 0.50 C ATOM 253 CD LYS A 16 133.851 1.966 -7.068 1.00 0.57 C ATOM 254 CE LYS A 16 133.051 3.254 -7.209 1.00 0.59 C ATOM 255 NZ LYS A 16 131.832 3.254 -6.351 1.00 0.66 N ATOM 0 H LYS A 16 135.124 -0.606 -5.004 1.00 0.21 H new ATOM 0 HA LYS A 16 135.678 1.451 -3.317 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.155 0.823 -4.910 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.431 2.379 -4.151 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.100 2.982 -5.646 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.577 1.325 -5.961 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.484 1.832 -7.946 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.170 1.116 -7.034 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.681 4.103 -6.943 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.760 3.387 -8.251 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.135 3.921 -6.738 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.422 2.298 -6.330 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 132.087 3.542 -5.385 1.00 0.66 H new ATOM 269 N GLU A 17 133.135 -0.295 -2.124 1.00 0.32 N ATOM 270 CA GLU A 17 132.331 -0.482 -0.917 1.00 0.39 C ATOM 271 C GLU A 17 133.235 -0.763 0.280 1.00 0.32 C ATOM 272 O GLU A 17 133.239 0.001 1.243 1.00 0.40 O ATOM 273 CB GLU A 17 131.331 -1.627 -1.116 1.00 0.51 C ATOM 274 CG GLU A 17 129.938 -1.319 -0.591 1.00 0.80 C ATOM 275 CD GLU A 17 128.844 -1.938 -1.441 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.468 -1.327 -2.463 1.00 1.43 O ATOM 277 OE2 GLU A 17 128.363 -3.035 -1.084 1.00 1.47 O ATOM 0 H GLU A 17 132.978 -0.990 -2.854 1.00 0.32 H new ATOM 0 HA GLU A 17 131.772 0.434 -0.722 1.00 0.39 H new ATOM 0 HB2 GLU A 17 131.266 -1.860 -2.179 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.709 -2.519 -0.616 1.00 0.51 H new ATOM 0 HG2 GLU A 17 129.850 -1.686 0.432 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.798 -0.239 -0.555 1.00 0.80 H new ATOM 284 N LEU A 18 133.983 -1.871 0.226 1.00 0.32 N ATOM 285 CA LEU A 18 134.886 -2.257 1.316 1.00 0.34 C ATOM 286 C LEU A 18 135.667 -1.058 1.859 1.00 0.33 C ATOM 287 O LEU A 18 135.830 -0.919 3.072 1.00 0.66 O ATOM 288 CB LEU A 18 135.861 -3.338 0.840 1.00 0.53 C ATOM 289 CG LEU A 18 135.485 -4.769 1.232 1.00 0.67 C ATOM 290 CD1 LEU A 18 135.965 -5.756 0.178 1.00 0.86 C ATOM 291 CD2 LEU A 18 136.062 -5.117 2.598 1.00 0.79 C ATOM 0 H LEU A 18 133.981 -2.517 -0.563 1.00 0.32 H new ATOM 0 HA LEU A 18 134.271 -2.651 2.125 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.938 -3.283 -0.246 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.850 -3.116 1.241 1.00 0.53 H new ATOM 0 HG LEU A 18 134.399 -4.836 1.292 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.688 -6.768 0.474 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.502 -5.519 -0.780 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.049 -5.689 0.084 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.785 -6.138 2.861 1.00 0.79 H new ATOM 0 HD22 LEU A 18 137.148 -5.033 2.566 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.666 -4.430 3.346 1.00 0.79 H new ATOM 303 N LEU A 19 136.140 -0.190 0.959 1.00 0.43 N ATOM 304 CA LEU A 19 136.893 1.001 1.358 1.00 0.44 C ATOM 305 C LEU A 19 135.993 2.005 2.081 1.00 0.30 C ATOM 306 O LEU A 19 136.424 2.664 3.028 1.00 0.45 O ATOM 307 CB LEU A 19 137.532 1.662 0.132 1.00 0.57 C ATOM 308 CG LEU A 19 139.062 1.645 0.107 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.576 1.781 -1.319 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.623 2.754 0.989 1.00 0.94 C ATOM 0 H LEU A 19 136.015 -0.290 -0.048 1.00 0.43 H new ATOM 0 HA LEU A 19 137.678 0.687 2.045 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.164 1.162 -0.764 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.195 2.697 0.080 1.00 0.57 H new ATOM 0 HG LEU A 19 139.402 0.688 0.502 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.666 1.767 -1.316 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.204 0.952 -1.920 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.227 2.722 -1.743 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.712 2.727 0.959 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.274 3.720 0.625 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.284 2.609 2.015 1.00 0.94 H new ATOM 322 N ARG A 20 134.738 2.109 1.631 1.00 0.32 N ATOM 323 CA ARG A 20 133.771 3.022 2.237 1.00 0.50 C ATOM 324 C ARG A 20 133.491 2.631 3.686 1.00 0.40 C ATOM 325 O ARG A 20 133.705 3.436 4.595 1.00 0.47 O ATOM 326 CB ARG A 20 132.467 3.042 1.431 1.00 0.78 C ATOM 327 CG ARG A 20 132.463 4.067 0.308 1.00 0.89 C ATOM 328 CD ARG A 20 131.342 5.081 0.481 1.00 0.98 C ATOM 329 NE ARG A 20 131.439 6.180 -0.481 1.00 1.06 N ATOM 330 CZ ARG A 20 130.395 6.895 -0.912 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.166 6.639 -0.466 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.580 7.875 -1.792 1.00 1.60 N ATOM 0 H ARG A 20 134.370 1.570 0.847 1.00 0.32 H new ATOM 0 HA ARG A 20 134.201 4.024 2.227 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.295 2.052 1.009 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.636 3.250 2.105 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.422 4.584 0.283 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.350 3.558 -0.649 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.381 4.581 0.364 1.00 0.98 H new ATOM 0 HD3 ARG A 20 131.371 5.483 1.494 1.00 0.98 H new ATOM 0 HE ARG A 20 132.362 6.415 -0.846 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.015 5.891 0.211 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.376 7.191 -0.802 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.518 8.080 -2.137 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.784 8.421 -2.122 1.00 1.60 H new ATOM 346 N ARG A 21 133.015 1.397 3.905 1.00 0.36 N ATOM 347 CA ARG A 21 132.715 0.912 5.254 1.00 0.37 C ATOM 348 C ARG A 21 133.915 1.098 6.184 1.00 0.35 C ATOM 349 O ARG A 21 133.745 1.424 7.358 1.00 0.49 O ATOM 350 CB ARG A 21 132.285 -0.567 5.193 1.00 0.47 C ATOM 351 CG ARG A 21 132.822 -1.443 6.322 1.00 0.71 C ATOM 352 CD ARG A 21 131.918 -1.404 7.546 1.00 0.94 C ATOM 353 NE ARG A 21 131.636 -2.746 8.060 1.00 0.95 N ATOM 354 CZ ARG A 21 130.564 -3.473 7.724 1.00 1.19 C ATOM 355 NH1 ARG A 21 129.657 -2.996 6.873 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.401 -4.686 8.242 1.00 1.50 N ATOM 0 H ARG A 21 132.831 0.720 3.165 1.00 0.36 H new ATOM 0 HA ARG A 21 131.892 1.499 5.662 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.196 -0.614 5.204 1.00 0.47 H new ATOM 0 HB3 ARG A 21 132.612 -0.986 4.241 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.915 -2.471 5.972 1.00 0.71 H new ATOM 0 HG3 ARG A 21 133.822 -1.108 6.598 1.00 0.71 H new ATOM 0 HD2 ARG A 21 132.390 -0.808 8.327 1.00 0.94 H new ATOM 0 HD3 ARG A 21 130.981 -0.909 7.290 1.00 0.94 H new ATOM 0 HE ARG A 21 132.301 -3.154 8.718 1.00 0.95 H new ATOM 0 HH11 ARG A 21 129.775 -2.067 6.469 1.00 2.03 H new ATOM 0 HH12 ARG A 21 128.844 -3.560 6.625 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.092 -5.060 8.893 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.585 -5.243 7.989 1.00 1.50 H new ATOM 370 N LYS A 22 135.125 0.894 5.653 1.00 0.33 N ATOM 371 CA LYS A 22 136.348 1.052 6.441 1.00 0.41 C ATOM 372 C LYS A 22 136.378 2.422 7.119 1.00 0.34 C ATOM 373 O LYS A 22 136.653 2.525 8.316 1.00 0.36 O ATOM 374 CB LYS A 22 137.583 0.878 5.551 1.00 0.56 C ATOM 375 CG LYS A 22 138.753 0.209 6.255 1.00 0.77 C ATOM 376 CD LYS A 22 139.749 -0.366 5.259 1.00 0.95 C ATOM 377 CE LYS A 22 140.844 0.636 4.922 1.00 0.76 C ATOM 378 NZ LYS A 22 141.993 0.551 5.868 1.00 0.71 N ATOM 0 H LYS A 22 135.282 0.620 4.683 1.00 0.33 H new ATOM 0 HA LYS A 22 136.359 0.282 7.212 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.310 0.287 4.677 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.899 1.856 5.188 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.255 0.933 6.896 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.383 -0.587 6.902 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.197 -1.270 5.671 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.227 -0.656 4.347 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.197 0.458 3.906 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.431 1.645 4.944 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.715 1.251 5.601 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.662 0.746 6.834 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.405 -0.403 5.829 1.00 0.71 H new ATOM 392 N ASP A 23 136.083 3.471 6.344 1.00 0.34 N ATOM 393 CA ASP A 23 136.063 4.840 6.860 1.00 0.32 C ATOM 394 C ASP A 23 134.877 5.072 7.802 1.00 0.29 C ATOM 395 O ASP A 23 134.895 6.004 8.609 1.00 0.34 O ATOM 396 CB ASP A 23 136.000 5.840 5.701 1.00 0.37 C ATOM 397 CG ASP A 23 137.329 5.986 4.987 1.00 0.78 C ATOM 398 OD1 ASP A 23 138.143 6.832 5.414 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.557 5.254 4.001 1.00 1.17 O ATOM 0 H ASP A 23 135.854 3.395 5.353 1.00 0.34 H new ATOM 0 HA ASP A 23 136.982 4.991 7.427 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.242 5.517 4.988 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.687 6.812 6.081 1.00 0.37 H new ATOM 404 N THR A 24 133.854 4.217 7.708 1.00 0.27 N ATOM 405 CA THR A 24 132.671 4.323 8.561 1.00 0.28 C ATOM 406 C THR A 24 132.853 3.520 9.855 1.00 0.27 C ATOM 407 O THR A 24 132.191 3.793 10.859 1.00 0.32 O ATOM 408 CB THR A 24 131.431 3.838 7.800 1.00 0.31 C ATOM 409 OG1 THR A 24 131.241 4.600 6.621 1.00 0.52 O ATOM 410 CG2 THR A 24 130.152 3.921 8.608 1.00 0.53 C ATOM 0 H THR A 24 133.824 3.441 7.046 1.00 0.27 H new ATOM 0 HA THR A 24 132.534 5.370 8.832 1.00 0.28 H new ATOM 0 HB THR A 24 131.627 2.790 7.573 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.447 4.276 6.147 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.317 3.562 8.006 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.246 3.305 9.502 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.971 4.956 8.898 1.00 0.53 H new ATOM 418 N HIS A 25 133.764 2.541 9.830 1.00 0.27 N ATOM 419 CA HIS A 25 134.044 1.719 11.006 1.00 0.31 C ATOM 420 C HIS A 25 134.939 2.486 11.973 1.00 0.33 C ATOM 421 O HIS A 25 134.747 2.432 13.189 1.00 0.43 O ATOM 422 CB HIS A 25 134.704 0.397 10.604 1.00 0.37 C ATOM 423 CG HIS A 25 134.155 -0.787 11.340 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.038 -0.832 12.714 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.683 -1.971 10.885 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.518 -1.993 13.071 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.293 -2.701 11.980 1.00 0.75 N ATOM 0 H HIS A 25 134.318 2.301 9.008 1.00 0.27 H new ATOM 0 HA HIS A 25 133.100 1.488 11.500 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.572 0.244 9.533 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.777 0.464 10.786 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.624 -2.283 9.853 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.312 -2.309 14.083 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.894 -3.639 11.955 1.00 0.75 H new ATOM 436 N ILE A 26 135.898 3.229 11.418 1.00 0.31 N ATOM 437 CA ILE A 26 136.798 4.045 12.225 1.00 0.35 C ATOM 438 C ILE A 26 136.059 5.278 12.760 1.00 0.34 C ATOM 439 O ILE A 26 136.500 5.905 13.724 1.00 0.46 O ATOM 440 CB ILE A 26 138.041 4.497 11.424 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.625 5.224 10.139 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.924 3.300 11.099 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.167 6.634 10.036 1.00 0.68 C ATOM 0 H ILE A 26 136.069 3.281 10.414 1.00 0.31 H new ATOM 0 HA ILE A 26 137.138 3.427 13.056 1.00 0.35 H new ATOM 0 HB ILE A 26 138.611 5.194 12.038 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.968 4.649 9.279 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.537 5.258 10.087 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.795 3.633 10.535 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.250 2.827 12.025 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.359 2.582 10.504 1.00 0.56 H new ATOM 0 HD11 ILE A 26 137.832 7.085 9.102 1.00 0.68 H new ATOM 0 HD12 ILE A 26 137.803 7.226 10.876 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.256 6.607 10.056 1.00 0.68 H new ATOM 455 N ARG A 27 134.920 5.603 12.131 1.00 0.29 N ATOM 456 CA ARG A 27 134.098 6.738 12.541 1.00 0.35 C ATOM 457 C ARG A 27 133.158 6.333 13.676 1.00 0.34 C ATOM 458 O ARG A 27 132.963 7.091 14.628 1.00 0.39 O ATOM 459 CB ARG A 27 133.290 7.267 11.352 1.00 0.44 C ATOM 460 CG ARG A 27 132.910 8.734 11.477 1.00 0.52 C ATOM 461 CD ARG A 27 131.402 8.929 11.407 1.00 0.81 C ATOM 462 NE ARG A 27 131.039 10.187 10.754 1.00 0.91 N ATOM 463 CZ ARG A 27 129.812 10.716 10.779 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.823 10.099 11.422 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.574 11.866 10.158 1.00 1.68 N ATOM 0 H ARG A 27 134.550 5.088 11.332 1.00 0.29 H new ATOM 0 HA ARG A 27 134.756 7.530 12.898 1.00 0.35 H new ATOM 0 HB2 ARG A 27 133.869 7.127 10.439 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.382 6.673 11.248 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.285 9.129 12.421 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.389 9.304 10.681 1.00 0.52 H new ATOM 0 HD2 ARG A 27 130.954 8.097 10.864 1.00 0.81 H new ATOM 0 HD3 ARG A 27 130.988 8.912 12.415 1.00 0.81 H new ATOM 0 HE ARG A 27 131.767 10.691 10.249 1.00 0.91 H new ATOM 0 HH11 ARG A 27 128.999 9.216 11.901 1.00 1.19 H new ATOM 0 HH12 ARG A 27 127.889 10.510 11.436 1.00 1.19 H new ATOM 0 HH21 ARG A 27 130.327 12.344 9.663 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.638 12.271 10.176 1.00 1.68 H new ATOM 479 N GLU A 28 132.590 5.125 13.579 1.00 0.33 N ATOM 480 CA GLU A 28 131.689 4.619 14.614 1.00 0.38 C ATOM 481 C GLU A 28 132.465 4.368 15.905 1.00 0.37 C ATOM 482 O GLU A 28 131.979 4.666 16.997 1.00 0.47 O ATOM 483 CB GLU A 28 130.979 3.337 14.153 1.00 0.48 C ATOM 484 CG GLU A 28 131.922 2.194 13.807 1.00 0.81 C ATOM 485 CD GLU A 28 131.190 0.918 13.437 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.865 0.133 14.353 1.00 1.85 O ATOM 487 OE2 GLU A 28 130.944 0.702 12.231 1.00 1.66 O ATOM 0 H GLU A 28 132.739 4.485 12.799 1.00 0.33 H new ATOM 0 HA GLU A 28 130.924 5.373 14.801 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.300 3.008 14.939 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.368 3.567 13.280 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.560 2.495 12.976 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.576 1.999 14.657 1.00 0.81 H new ATOM 494 N LEU A 29 133.687 3.841 15.767 1.00 0.34 N ATOM 495 CA LEU A 29 134.546 3.577 16.919 1.00 0.38 C ATOM 496 C LEU A 29 135.074 4.888 17.509 1.00 0.42 C ATOM 497 O LEU A 29 135.490 4.930 18.667 1.00 0.80 O ATOM 498 CB LEU A 29 135.712 2.663 16.529 1.00 0.48 C ATOM 499 CG LEU A 29 135.634 1.242 17.098 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.211 0.255 16.020 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.969 0.835 17.706 1.00 0.58 C ATOM 0 H LEU A 29 134.100 3.590 14.869 1.00 0.34 H new ATOM 0 HA LEU A 29 133.949 3.070 17.677 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.759 2.602 15.442 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.642 3.122 16.863 1.00 0.48 H new ATOM 0 HG LEU A 29 134.881 1.229 17.886 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.162 -0.748 16.444 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.230 0.535 15.635 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.938 0.270 15.208 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.894 -0.177 18.105 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.743 0.866 16.939 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.228 1.524 18.510 1.00 0.58 H new ATOM 513 N GLU A 30 135.024 5.964 16.713 1.00 0.42 N ATOM 514 CA GLU A 30 135.467 7.280 17.168 1.00 0.46 C ATOM 515 C GLU A 30 134.526 7.797 18.256 1.00 0.46 C ATOM 516 O GLU A 30 134.961 8.448 19.206 1.00 0.61 O ATOM 517 CB GLU A 30 135.525 8.270 15.999 1.00 0.51 C ATOM 518 CG GLU A 30 136.939 8.570 15.523 1.00 0.57 C ATOM 519 CD GLU A 30 137.817 9.146 16.618 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.693 10.356 16.905 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.629 8.387 17.189 1.00 1.33 O ATOM 0 H GLU A 30 134.681 5.945 15.753 1.00 0.42 H new ATOM 0 HA GLU A 30 136.471 7.185 17.581 1.00 0.46 H new ATOM 0 HB2 GLU A 30 134.948 7.869 15.166 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.046 9.202 16.299 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.392 7.654 15.144 1.00 0.57 H new ATOM 0 HG3 GLU A 30 136.896 9.272 14.691 1.00 0.57 H new ATOM 528 N ASP A 31 133.237 7.468 18.120 1.00 0.43 N ATOM 529 CA ASP A 31 132.227 7.858 19.101 1.00 0.58 C ATOM 530 C ASP A 31 132.166 6.823 20.228 1.00 0.59 C ATOM 531 O ASP A 31 131.841 7.151 21.370 1.00 0.78 O ATOM 532 CB ASP A 31 130.856 7.996 18.434 1.00 0.71 C ATOM 533 CG ASP A 31 130.254 9.373 18.634 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.511 10.261 17.794 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.527 9.565 19.632 1.00 1.65 O ATOM 0 H ASP A 31 132.870 6.930 17.335 1.00 0.43 H new ATOM 0 HA ASP A 31 132.504 8.825 19.522 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.952 7.796 17.367 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.180 7.244 18.840 1.00 0.71 H new ATOM 540 N TYR A 32 132.511 5.574 19.890 1.00 0.51 N ATOM 541 CA TYR A 32 132.529 4.484 20.864 1.00 0.56 C ATOM 542 C TYR A 32 133.603 4.745 21.919 1.00 0.55 C ATOM 543 O TYR A 32 133.400 4.475 23.104 1.00 0.64 O ATOM 544 CB TYR A 32 132.785 3.138 20.175 1.00 0.61 C ATOM 545 CG TYR A 32 131.545 2.514 19.565 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.341 2.489 20.260 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.580 1.949 18.296 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.210 1.920 19.708 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.452 1.379 17.737 1.00 1.19 C ATOM 550 CZ TYR A 32 129.270 1.367 18.446 1.00 1.23 C ATOM 551 OH TYR A 32 128.145 0.800 17.893 1.00 1.55 O ATOM 0 H TYR A 32 132.781 5.297 18.946 1.00 0.51 H new ATOM 0 HA TYR A 32 131.553 4.440 21.348 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.532 3.277 19.393 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.209 2.444 20.901 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.289 2.922 21.248 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.504 1.955 17.737 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.283 1.908 20.262 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.496 0.945 16.749 1.00 1.19 H new ATOM 0 HH TYR A 32 128.357 0.457 17.000 1.00 1.55 H new ATOM 561 N ILE A 33 134.738 5.294 21.477 1.00 0.53 N ATOM 562 CA ILE A 33 135.841 5.621 22.375 1.00 0.62 C ATOM 563 C ILE A 33 135.573 6.951 23.080 1.00 0.58 C ATOM 564 O ILE A 33 135.834 7.084 24.277 1.00 0.77 O ATOM 565 CB ILE A 33 137.188 5.699 21.618 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.490 4.365 20.926 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.321 6.073 22.567 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.390 4.498 19.716 1.00 0.85 C ATOM 0 H ILE A 33 134.914 5.521 20.498 1.00 0.53 H new ATOM 0 HA ILE A 33 135.910 4.822 23.113 1.00 0.62 H new ATOM 0 HB ILE A 33 137.108 6.476 20.858 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.958 3.691 21.644 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.551 3.903 20.621 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.258 6.122 22.013 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.114 7.044 23.016 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.402 5.320 23.351 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.560 3.514 19.279 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.915 5.146 18.979 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.344 4.930 20.018 1.00 0.85 H new ATOM 580 N ASP A 34 135.060 7.933 22.321 1.00 0.49 N ATOM 581 CA ASP A 34 134.753 9.271 22.846 1.00 0.54 C ATOM 582 C ASP A 34 134.177 9.223 24.264 1.00 0.44 C ATOM 583 O ASP A 34 134.510 10.063 25.089 1.00 0.47 O ATOM 584 CB ASP A 34 133.765 9.986 21.913 1.00 0.75 C ATOM 585 CG ASP A 34 134.045 11.476 21.762 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.884 12.015 22.518 1.00 1.42 O ATOM 587 OD2 ASP A 34 133.419 12.105 20.884 1.00 1.49 O ATOM 0 H ASP A 34 134.847 7.821 21.330 1.00 0.49 H new ATOM 0 HA ASP A 34 135.692 9.822 22.891 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.800 9.516 20.930 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.753 9.851 22.295 1.00 0.75 H new ATOM 592 N ASN A 35 133.311 8.240 24.529 1.00 0.53 N ATOM 593 CA ASN A 35 132.682 8.073 25.846 1.00 0.57 C ATOM 594 C ASN A 35 133.655 8.403 26.982 1.00 0.47 C ATOM 595 O ASN A 35 133.283 9.068 27.950 1.00 0.58 O ATOM 596 CB ASN A 35 132.158 6.643 26.006 1.00 0.74 C ATOM 597 CG ASN A 35 130.833 6.429 25.297 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.771 6.748 25.833 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.887 5.887 24.083 1.00 1.32 N ATOM 0 H ASN A 35 133.027 7.541 23.843 1.00 0.53 H new ATOM 0 HA ASN A 35 131.848 8.772 25.904 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.895 5.943 25.612 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.040 6.419 27.066 1.00 0.74 H new ATOM 0 HD21 ASN A 35 130.027 5.721 23.560 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.788 5.637 23.676 1.00 1.32 H new ATOM 606 N LEU A 36 134.906 7.953 26.845 1.00 0.42 N ATOM 607 CA LEU A 36 135.937 8.221 27.848 1.00 0.47 C ATOM 608 C LEU A 36 136.198 9.724 27.949 1.00 0.42 C ATOM 609 O LEU A 36 136.172 10.296 29.040 1.00 0.53 O ATOM 610 CB LEU A 36 137.237 7.487 27.496 1.00 0.66 C ATOM 611 CG LEU A 36 137.086 5.994 27.188 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.281 5.490 26.392 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.923 5.196 28.475 1.00 1.66 C ATOM 0 H LEU A 36 135.227 7.402 26.049 1.00 0.42 H new ATOM 0 HA LEU A 36 135.581 7.856 28.812 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.687 7.975 26.632 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.935 7.601 28.326 1.00 0.66 H new ATOM 0 HG LEU A 36 136.189 5.856 26.584 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.157 4.428 26.182 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.351 6.039 25.453 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.193 5.641 26.970 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.817 4.138 28.236 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.800 5.340 29.106 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.035 5.539 29.006 1.00 1.66 H new ATOM 625 N LEU A 37 136.433 10.356 26.794 1.00 0.36 N ATOM 626 CA LEU A 37 136.680 11.793 26.731 1.00 0.40 C ATOM 627 C LEU A 37 135.537 12.509 25.998 1.00 0.32 C ATOM 628 O LEU A 37 135.747 13.168 24.977 1.00 0.42 O ATOM 629 CB LEU A 37 138.023 12.074 26.043 1.00 0.56 C ATOM 630 CG LEU A 37 138.179 11.473 24.642 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.849 12.467 23.704 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.970 10.173 24.702 1.00 0.63 C ATOM 0 H LEU A 37 136.456 9.888 25.888 1.00 0.36 H new ATOM 0 HA LEU A 37 136.725 12.180 27.749 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.159 13.153 25.975 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.824 11.691 26.676 1.00 0.56 H new ATOM 0 HG LEU A 37 137.186 11.251 24.251 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.951 12.022 22.714 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.241 13.369 23.635 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.836 12.723 24.090 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.070 9.761 23.698 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.960 10.368 25.115 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.447 9.458 25.337 1.00 0.63 H new ATOM 644 N VAL A 38 134.326 12.361 26.546 1.00 0.29 N ATOM 645 CA VAL A 38 133.115 12.977 25.996 1.00 0.41 C ATOM 646 C VAL A 38 132.087 13.194 27.116 1.00 0.38 C ATOM 647 O VAL A 38 132.352 12.861 28.274 1.00 0.61 O ATOM 648 CB VAL A 38 132.498 12.125 24.856 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.535 11.078 25.401 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.804 13.016 23.833 1.00 0.99 C ATOM 0 H VAL A 38 134.158 11.808 27.387 1.00 0.29 H new ATOM 0 HA VAL A 38 133.395 13.939 25.567 1.00 0.41 H new ATOM 0 HB VAL A 38 133.312 11.598 24.359 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.121 10.499 24.575 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.068 10.412 26.080 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.726 11.573 25.939 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.378 12.399 23.042 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.009 13.580 24.321 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.528 13.708 23.403 1.00 0.99 H new ATOM 660 N ARG A 39 130.913 13.732 26.777 1.00 0.44 N ATOM 661 CA ARG A 39 129.868 13.958 27.773 1.00 0.47 C ATOM 662 C ARG A 39 129.055 12.681 27.989 1.00 0.53 C ATOM 663 O ARG A 39 128.124 12.390 27.235 1.00 0.86 O ATOM 664 CB ARG A 39 128.949 15.106 27.343 1.00 0.59 C ATOM 665 CG ARG A 39 127.929 15.498 28.404 1.00 0.75 C ATOM 666 CD ARG A 39 127.645 16.993 28.386 1.00 0.97 C ATOM 667 NE ARG A 39 126.252 17.286 28.045 1.00 0.93 N ATOM 668 CZ ARG A 39 125.777 18.517 27.836 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.577 19.577 27.935 1.00 1.27 N ATOM 670 NH2 ARG A 39 124.496 18.689 27.529 1.00 1.48 N ATOM 0 H ARG A 39 130.665 14.016 25.829 1.00 0.44 H new ATOM 0 HA ARG A 39 130.345 14.233 28.714 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.558 15.976 27.097 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.423 14.818 26.433 1.00 0.59 H new ATOM 0 HG2 ARG A 39 127.002 14.949 28.238 1.00 0.75 H new ATOM 0 HG3 ARG A 39 128.298 15.209 29.388 1.00 0.75 H new ATOM 0 HD2 ARG A 39 127.875 17.417 29.364 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.304 17.478 27.665 1.00 0.97 H new ATOM 0 HE ARG A 39 125.604 16.502 27.962 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.561 19.453 28.172 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.206 20.513 27.774 1.00 1.27 H new ATOM 0 HH21 ARG A 39 123.877 17.882 27.453 1.00 1.48 H new ATOM 0 HH22 ARG A 39 124.132 19.628 27.369 1.00 1.48 H new ATOM 684 N VAL A 40 129.422 11.918 29.020 1.00 0.46 N ATOM 685 CA VAL A 40 128.736 10.665 29.337 1.00 0.53 C ATOM 686 C VAL A 40 127.334 10.916 29.893 1.00 0.53 C ATOM 687 O VAL A 40 127.074 11.954 30.505 1.00 0.66 O ATOM 688 CB VAL A 40 129.535 9.812 30.350 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.813 9.285 29.715 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.847 10.608 31.611 1.00 0.78 C ATOM 0 H VAL A 40 130.191 12.146 29.650 1.00 0.46 H new ATOM 0 HA VAL A 40 128.656 10.116 28.399 1.00 0.53 H new ATOM 0 HB VAL A 40 128.917 8.961 30.636 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.361 8.687 30.443 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.563 8.667 28.853 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.432 10.123 29.393 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.409 9.984 32.306 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.439 11.485 31.350 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.916 10.925 32.081 1.00 0.78 H new ATOM 700 N MET A 41 126.437 9.955 29.673 1.00 0.53 N ATOM 701 CA MET A 41 125.058 10.060 30.147 1.00 0.60 C ATOM 702 C MET A 41 124.634 8.788 30.876 1.00 0.86 C ATOM 703 O MET A 41 125.161 8.464 31.940 1.00 1.20 O ATOM 704 CB MET A 41 124.109 10.336 28.976 1.00 0.75 C ATOM 705 CG MET A 41 124.219 9.326 27.841 1.00 0.56 C ATOM 706 SD MET A 41 122.617 8.900 27.131 1.00 0.67 S ATOM 707 CE MET A 41 122.612 9.925 25.662 1.00 0.54 C ATOM 0 H MET A 41 126.642 9.093 29.168 1.00 0.53 H new ATOM 0 HA MET A 41 125.005 10.893 30.848 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.084 10.342 29.346 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.312 11.332 28.584 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.862 9.732 27.060 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.700 8.421 28.211 1.00 0.56 H new ATOM 0 HE1 MET A 41 121.682 9.772 25.115 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.696 10.973 25.949 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.455 9.654 25.027 1.00 0.54 H new ATOM 718 N GLY B 1 134.960 4.499 -27.700 1.00 0.61 N ATOM 719 CA GLY B 1 136.292 4.053 -28.202 1.00 0.61 C ATOM 720 C GLY B 1 136.796 2.807 -27.496 1.00 0.52 C ATOM 721 O GLY B 1 136.756 1.711 -28.057 1.00 0.60 O ATOM 0 H1 GLY B 1 134.663 5.352 -28.215 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.262 3.743 -27.850 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.026 4.713 -26.684 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.226 3.858 -29.272 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.014 4.858 -28.069 1.00 0.61 H new ATOM 727 N SER B 2 137.271 2.979 -26.262 1.00 0.50 N ATOM 728 CA SER B 2 137.789 1.865 -25.468 1.00 0.49 C ATOM 729 C SER B 2 137.170 1.844 -24.070 1.00 0.47 C ATOM 730 O SER B 2 137.834 1.494 -23.093 1.00 0.63 O ATOM 731 CB SER B 2 139.316 1.950 -25.372 1.00 0.55 C ATOM 732 OG SER B 2 139.928 1.503 -26.570 1.00 0.67 O ATOM 0 H SER B 2 137.308 3.882 -25.790 1.00 0.50 H new ATOM 0 HA SER B 2 137.515 0.937 -25.970 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.614 2.979 -25.170 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.665 1.346 -24.534 1.00 0.55 H new ATOM 0 HG SER B 2 140.902 1.569 -26.484 1.00 0.67 H new ATOM 738 N LEU B 3 135.882 2.189 -23.988 1.00 0.48 N ATOM 739 CA LEU B 3 135.162 2.177 -22.716 1.00 0.55 C ATOM 740 C LEU B 3 134.475 0.823 -22.534 1.00 0.65 C ATOM 741 O LEU B 3 133.303 0.740 -22.160 1.00 1.02 O ATOM 742 CB LEU B 3 134.140 3.319 -22.668 1.00 0.62 C ATOM 743 CG LEU B 3 134.696 4.665 -22.194 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.283 5.444 -23.363 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.609 5.474 -21.500 1.00 0.76 C ATOM 0 H LEU B 3 135.319 2.479 -24.787 1.00 0.48 H new ATOM 0 HA LEU B 3 135.869 2.327 -21.900 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.715 3.449 -23.663 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.323 3.028 -22.008 1.00 0.62 H new ATOM 0 HG LEU B 3 135.494 4.475 -21.477 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.673 6.397 -23.006 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.091 4.868 -23.815 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.506 5.625 -24.106 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.020 6.428 -21.169 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.789 5.654 -22.196 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.238 4.920 -20.638 1.00 0.76 H new ATOM 757 N THR B 4 135.231 -0.237 -22.820 1.00 0.46 N ATOM 758 CA THR B 4 134.749 -1.608 -22.721 1.00 0.55 C ATOM 759 C THR B 4 135.622 -2.400 -21.745 1.00 0.42 C ATOM 760 O THR B 4 136.272 -1.814 -20.882 1.00 0.43 O ATOM 761 CB THR B 4 134.751 -2.260 -24.110 1.00 0.72 C ATOM 762 OG1 THR B 4 136.045 -2.212 -24.688 1.00 0.70 O ATOM 763 CG2 THR B 4 133.791 -1.604 -25.081 1.00 0.90 C ATOM 0 H THR B 4 136.201 -0.164 -23.128 1.00 0.46 H new ATOM 0 HA THR B 4 133.727 -1.607 -22.341 1.00 0.55 H new ATOM 0 HB THR B 4 134.431 -3.289 -23.945 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.024 -2.634 -25.572 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.842 -2.113 -26.043 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.776 -1.670 -24.689 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.063 -0.556 -25.210 1.00 0.90 H new ATOM 771 N TYR B 5 135.609 -3.729 -21.862 1.00 0.50 N ATOM 772 CA TYR B 5 136.383 -4.610 -20.977 1.00 0.45 C ATOM 773 C TYR B 5 137.833 -4.147 -20.771 1.00 0.41 C ATOM 774 O TYR B 5 138.406 -4.381 -19.707 1.00 0.46 O ATOM 775 CB TYR B 5 136.374 -6.036 -21.534 1.00 0.57 C ATOM 776 CG TYR B 5 136.806 -7.094 -20.540 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.294 -7.117 -19.248 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.722 -8.074 -20.899 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.684 -8.086 -18.343 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.117 -9.046 -20.000 1.00 0.92 C ATOM 781 CZ TYR B 5 137.595 -9.048 -18.724 1.00 0.67 C ATOM 782 OH TYR B 5 137.984 -10.017 -17.827 1.00 0.84 O ATOM 0 H TYR B 5 135.066 -4.226 -22.568 1.00 0.50 H new ATOM 0 HA TYR B 5 135.900 -4.574 -20.000 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.369 -6.271 -21.884 1.00 0.57 H new ATOM 0 HB3 TYR B 5 137.032 -6.079 -22.402 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.580 -6.365 -18.946 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.133 -8.076 -21.898 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.277 -8.090 -17.343 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.831 -9.800 -20.295 1.00 0.92 H new ATOM 0 HH TYR B 5 138.630 -10.618 -18.254 1.00 0.84 H new ATOM 792 N GLU B 6 138.430 -3.493 -21.774 1.00 0.49 N ATOM 793 CA GLU B 6 139.812 -3.016 -21.658 1.00 0.50 C ATOM 794 C GLU B 6 139.909 -1.762 -20.780 1.00 0.38 C ATOM 795 O GLU B 6 141.000 -1.384 -20.351 1.00 0.44 O ATOM 796 CB GLU B 6 140.390 -2.718 -23.045 1.00 0.62 C ATOM 797 CG GLU B 6 141.296 -3.816 -23.579 1.00 0.68 C ATOM 798 CD GLU B 6 141.971 -3.434 -24.882 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.061 -2.825 -24.830 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.411 -3.744 -25.955 1.00 1.14 O ATOM 0 H GLU B 6 137.983 -3.284 -22.667 1.00 0.49 H new ATOM 0 HA GLU B 6 140.391 -3.808 -21.183 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.569 -2.564 -23.745 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.952 -1.785 -23.002 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.057 -4.048 -22.834 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.711 -4.723 -23.730 1.00 0.68 H new ATOM 807 N GLU B 7 138.764 -1.130 -20.506 1.00 0.32 N ATOM 808 CA GLU B 7 138.721 0.070 -19.674 1.00 0.29 C ATOM 809 C GLU B 7 138.615 -0.289 -18.192 1.00 0.27 C ATOM 810 O GLU B 7 139.246 0.350 -17.348 1.00 0.43 O ATOM 811 CB GLU B 7 137.543 0.960 -20.079 1.00 0.43 C ATOM 812 CG GLU B 7 137.872 2.445 -20.072 1.00 0.57 C ATOM 813 CD GLU B 7 137.408 3.140 -18.807 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.240 3.583 -18.766 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.212 3.240 -17.856 1.00 0.80 O ATOM 0 H GLU B 7 137.853 -1.433 -20.851 1.00 0.32 H new ATOM 0 HA GLU B 7 139.651 0.616 -19.830 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.209 0.675 -21.077 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.710 0.778 -19.400 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.949 2.575 -20.179 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.406 2.921 -20.935 1.00 0.57 H new ATOM 822 N VAL B 8 137.818 -1.316 -17.881 1.00 0.35 N ATOM 823 CA VAL B 8 137.638 -1.757 -16.499 1.00 0.37 C ATOM 824 C VAL B 8 138.902 -2.439 -15.967 1.00 0.28 C ATOM 825 O VAL B 8 139.235 -2.302 -14.789 1.00 0.40 O ATOM 826 CB VAL B 8 136.428 -2.712 -16.359 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.732 -4.080 -16.955 1.00 0.44 C ATOM 828 CG2 VAL B 8 136.009 -2.840 -14.901 1.00 0.78 C ATOM 0 H VAL B 8 137.290 -1.855 -18.567 1.00 0.35 H new ATOM 0 HA VAL B 8 137.443 -0.865 -15.904 1.00 0.37 H new ATOM 0 HB VAL B 8 135.597 -2.282 -16.919 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.863 -4.728 -16.841 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.967 -3.971 -18.014 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.584 -4.521 -16.437 1.00 0.44 H new ATOM 0 HG21 VAL B 8 135.157 -3.516 -14.825 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.840 -3.237 -14.317 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.730 -1.860 -14.515 1.00 0.78 H new ATOM 838 N LEU B 9 139.599 -3.175 -16.842 1.00 0.35 N ATOM 839 CA LEU B 9 140.826 -3.877 -16.460 1.00 0.49 C ATOM 840 C LEU B 9 141.830 -2.923 -15.810 1.00 0.52 C ATOM 841 O LEU B 9 142.341 -3.200 -14.723 1.00 0.74 O ATOM 842 CB LEU B 9 141.459 -4.553 -17.681 1.00 0.65 C ATOM 843 CG LEU B 9 140.787 -5.857 -18.123 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.193 -6.213 -19.546 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.136 -6.991 -17.167 1.00 0.76 C ATOM 0 H LEU B 9 139.332 -3.298 -17.819 1.00 0.35 H new ATOM 0 HA LEU B 9 140.559 -4.641 -15.730 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.440 -3.852 -18.515 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.506 -4.759 -17.461 1.00 0.65 H new ATOM 0 HG LEU B 9 139.707 -5.710 -18.101 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.706 -7.142 -19.842 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.890 -5.413 -20.222 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.275 -6.339 -19.595 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.649 -7.909 -17.498 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.216 -7.137 -17.155 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.793 -6.740 -16.164 1.00 0.76 H new ATOM 857 N GLN B 10 142.104 -1.797 -16.477 1.00 0.41 N ATOM 858 CA GLN B 10 143.043 -0.799 -15.957 1.00 0.48 C ATOM 859 C GLN B 10 142.528 -0.160 -14.662 1.00 0.42 C ATOM 860 O GLN B 10 143.313 0.369 -13.874 1.00 0.48 O ATOM 861 CB GLN B 10 143.302 0.287 -17.005 1.00 0.58 C ATOM 862 CG GLN B 10 144.245 -0.150 -18.115 1.00 0.66 C ATOM 863 CD GLN B 10 145.688 -0.243 -17.655 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.159 -1.313 -17.266 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.400 0.879 -17.695 1.00 0.83 N ATOM 0 H GLN B 10 141.689 -1.555 -17.377 1.00 0.41 H new ATOM 0 HA GLN B 10 143.977 -1.314 -15.732 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.352 0.589 -17.445 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.718 1.165 -16.511 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.926 -1.120 -18.496 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.177 0.556 -18.943 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.971 1.744 -18.024 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.375 0.875 -17.397 1.00 0.83 H new ATOM 874 N GLU B 11 141.213 -0.233 -14.436 1.00 0.40 N ATOM 875 CA GLU B 11 140.603 0.315 -13.225 1.00 0.42 C ATOM 876 C GLU B 11 140.744 -0.672 -12.064 1.00 0.37 C ATOM 877 O GLU B 11 140.856 -0.268 -10.905 1.00 0.54 O ATOM 878 CB GLU B 11 139.121 0.623 -13.465 1.00 0.48 C ATOM 879 CG GLU B 11 138.869 2.001 -14.053 1.00 0.62 C ATOM 880 CD GLU B 11 137.398 2.253 -14.333 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.944 1.937 -15.453 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.700 2.763 -13.430 1.00 1.53 O ATOM 0 H GLU B 11 140.551 -0.668 -15.079 1.00 0.40 H new ATOM 0 HA GLU B 11 141.120 1.240 -12.970 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.707 -0.130 -14.136 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.584 0.537 -12.520 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.240 2.760 -13.364 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.435 2.107 -14.978 1.00 0.62 H new ATOM 889 N LEU B 12 140.751 -1.968 -12.395 1.00 0.32 N ATOM 890 CA LEU B 12 140.892 -3.021 -11.394 1.00 0.30 C ATOM 891 C LEU B 12 142.247 -2.915 -10.699 1.00 0.28 C ATOM 892 O LEU B 12 142.311 -2.732 -9.481 1.00 0.36 O ATOM 893 CB LEU B 12 140.732 -4.405 -12.037 1.00 0.32 C ATOM 894 CG LEU B 12 139.997 -5.443 -11.182 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.797 -5.770 -9.928 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.603 -4.950 -10.816 1.00 0.54 C ATOM 0 H LEU B 12 140.660 -2.309 -13.352 1.00 0.32 H new ATOM 0 HA LEU B 12 140.105 -2.894 -10.650 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.197 -4.290 -12.979 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.722 -4.792 -12.278 1.00 0.32 H new ATOM 0 HG LEU B 12 139.893 -6.356 -11.769 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.258 -6.509 -9.335 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.770 -6.172 -10.211 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.937 -4.864 -9.339 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.099 -5.702 -10.209 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.682 -4.021 -10.251 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.029 -4.773 -11.726 1.00 0.54 H new ATOM 908 N VAL B 13 143.329 -3.024 -11.478 1.00 0.25 N ATOM 909 CA VAL B 13 144.679 -2.932 -10.927 1.00 0.26 C ATOM 910 C VAL B 13 144.857 -1.635 -10.134 1.00 0.22 C ATOM 911 O VAL B 13 145.271 -1.675 -8.976 1.00 0.26 O ATOM 912 CB VAL B 13 145.768 -3.054 -12.026 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.764 -1.849 -12.961 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.143 -3.249 -11.396 1.00 0.52 C ATOM 0 H VAL B 13 143.293 -3.175 -12.486 1.00 0.25 H new ATOM 0 HA VAL B 13 144.806 -3.776 -10.249 1.00 0.26 H new ATOM 0 HB VAL B 13 145.534 -3.932 -12.628 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.540 -1.972 -13.716 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.792 -1.770 -13.449 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.957 -0.943 -12.387 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.894 -3.333 -12.181 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.376 -2.395 -10.760 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.143 -4.159 -10.796 1.00 0.52 H new ATOM 924 N LYS B 14 144.547 -0.487 -10.757 1.00 0.24 N ATOM 925 CA LYS B 14 144.676 0.817 -10.100 1.00 0.25 C ATOM 926 C LYS B 14 144.118 0.791 -8.676 1.00 0.22 C ATOM 927 O LYS B 14 144.723 1.353 -7.763 1.00 0.29 O ATOM 928 CB LYS B 14 143.959 1.897 -10.917 1.00 0.34 C ATOM 929 CG LYS B 14 144.895 2.732 -11.777 1.00 0.87 C ATOM 930 CD LYS B 14 144.124 3.657 -12.707 1.00 0.75 C ATOM 931 CE LYS B 14 144.479 5.117 -12.465 1.00 0.70 C ATOM 932 NZ LYS B 14 144.464 5.915 -13.725 1.00 0.72 N ATOM 0 H LYS B 14 144.205 -0.439 -11.717 1.00 0.24 H new ATOM 0 HA LYS B 14 145.739 1.050 -10.042 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.216 1.422 -11.558 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.419 2.556 -10.237 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.550 3.322 -11.136 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.534 2.074 -12.365 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.341 3.396 -13.743 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.054 3.513 -12.559 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.773 5.548 -11.755 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.467 5.178 -12.009 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.711 6.903 -13.513 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.156 5.521 -14.394 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.514 5.879 -14.148 1.00 0.72 H new ATOM 946 N HIS B 15 142.969 0.132 -8.488 1.00 0.24 N ATOM 947 CA HIS B 15 142.357 0.037 -7.166 1.00 0.27 C ATOM 948 C HIS B 15 143.292 -0.698 -6.209 1.00 0.25 C ATOM 949 O HIS B 15 143.852 -0.092 -5.294 1.00 0.45 O ATOM 950 CB HIS B 15 141.006 -0.686 -7.243 1.00 0.33 C ATOM 951 CG HIS B 15 139.853 0.217 -7.563 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.626 1.412 -6.912 1.00 0.85 N ATOM 953 CD2 HIS B 15 138.854 0.091 -8.470 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.539 1.980 -7.404 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.053 1.200 -8.351 1.00 0.76 N ATOM 0 H HIS B 15 142.451 -0.338 -9.230 1.00 0.24 H new ATOM 0 HA HIS B 15 142.185 1.046 -6.792 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.065 -1.467 -8.001 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.814 -1.181 -6.291 1.00 0.33 H new ATOM 0 HD2 HIS B 15 138.714 -0.729 -9.158 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.119 2.923 -7.085 1.00 0.89 H new ATOM 0 HE2 HIS B 15 137.218 1.390 -8.905 1.00 0.76 H new ATOM 964 N LYS B 16 143.450 -2.009 -6.426 1.00 0.21 N ATOM 965 CA LYS B 16 144.310 -2.846 -5.588 1.00 0.27 C ATOM 966 C LYS B 16 145.671 -2.201 -5.321 1.00 0.36 C ATOM 967 O LYS B 16 146.172 -2.262 -4.196 1.00 0.69 O ATOM 968 CB LYS B 16 144.514 -4.215 -6.243 1.00 0.35 C ATOM 969 CG LYS B 16 143.261 -5.078 -6.263 1.00 0.46 C ATOM 970 CD LYS B 16 143.255 -6.029 -7.450 1.00 0.49 C ATOM 971 CE LYS B 16 144.023 -7.309 -7.149 1.00 0.53 C ATOM 972 NZ LYS B 16 145.496 -7.125 -7.285 1.00 0.61 N ATOM 0 H LYS B 16 142.988 -2.514 -7.182 1.00 0.21 H new ATOM 0 HA LYS B 16 143.804 -2.962 -4.629 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.861 -4.070 -7.266 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.303 -4.748 -5.712 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.198 -5.650 -5.337 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.379 -4.439 -6.304 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.227 -6.275 -7.714 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.697 -5.534 -8.315 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.792 -7.640 -6.137 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.693 -8.097 -7.826 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.944 -8.044 -7.477 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.693 -6.473 -8.071 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.879 -6.730 -6.403 1.00 0.61 H new ATOM 986 N GLU B 17 146.273 -1.586 -6.348 1.00 0.30 N ATOM 987 CA GLU B 17 147.577 -0.945 -6.182 1.00 0.38 C ATOM 988 C GLU B 17 147.476 0.208 -5.187 1.00 0.32 C ATOM 989 O GLU B 17 148.133 0.186 -4.148 1.00 0.40 O ATOM 990 CB GLU B 17 148.100 -0.443 -7.532 1.00 0.51 C ATOM 991 CG GLU B 17 149.575 -0.736 -7.762 1.00 0.80 C ATOM 992 CD GLU B 17 149.889 -1.043 -9.214 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.712 -2.209 -9.626 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.312 -0.118 -9.939 1.00 1.49 O ATOM 0 H GLU B 17 145.882 -1.521 -7.288 1.00 0.30 H new ATOM 0 HA GLU B 17 148.280 -1.680 -5.791 1.00 0.38 H new ATOM 0 HB2 GLU B 17 147.518 -0.903 -8.331 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.938 0.633 -7.598 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.166 0.121 -7.439 1.00 0.80 H new ATOM 0 HG3 GLU B 17 149.875 -1.581 -7.143 1.00 0.80 H new ATOM 1001 N LEU B 18 146.666 1.222 -5.516 1.00 0.32 N ATOM 1002 CA LEU B 18 146.488 2.391 -4.649 1.00 0.34 C ATOM 1003 C LEU B 18 146.344 1.992 -3.177 1.00 0.35 C ATOM 1004 O LEU B 18 146.916 2.638 -2.297 1.00 0.66 O ATOM 1005 CB LEU B 18 145.261 3.196 -5.090 1.00 0.51 C ATOM 1006 CG LEU B 18 145.567 4.426 -5.948 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.432 4.692 -6.925 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.814 5.644 -5.066 1.00 0.75 C ATOM 0 H LEU B 18 146.123 1.255 -6.379 1.00 0.32 H new ATOM 0 HA LEU B 18 147.382 3.007 -4.744 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.596 2.538 -5.649 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.718 3.518 -4.201 1.00 0.51 H new ATOM 0 HG LEU B 18 146.472 4.229 -6.522 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.668 5.570 -7.526 1.00 0.81 H new ATOM 0 HD12 LEU B 18 144.304 3.829 -7.578 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.509 4.868 -6.372 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.030 6.509 -5.693 1.00 0.75 H new ATOM 0 HD22 LEU B 18 144.927 5.844 -4.465 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.662 5.451 -4.409 1.00 0.75 H new ATOM 1020 N LEU B 19 145.587 0.922 -2.915 1.00 0.45 N ATOM 1021 CA LEU B 19 145.382 0.437 -1.549 1.00 0.47 C ATOM 1022 C LEU B 19 146.674 -0.147 -0.972 1.00 0.33 C ATOM 1023 O LEU B 19 146.958 0.015 0.216 1.00 0.45 O ATOM 1024 CB LEU B 19 144.275 -0.621 -1.519 1.00 0.63 C ATOM 1025 CG LEU B 19 143.016 -0.223 -0.744 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.817 -1.029 -1.223 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.229 -0.412 0.753 1.00 0.96 C ATOM 0 H LEU B 19 145.107 0.377 -3.631 1.00 0.45 H new ATOM 0 HA LEU B 19 145.083 1.286 -0.934 1.00 0.47 H new ATOM 0 HB2 LEU B 19 143.992 -0.857 -2.545 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.679 -1.534 -1.081 1.00 0.63 H new ATOM 0 HG LEU B 19 142.815 0.832 -0.930 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.931 -0.733 -0.661 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.653 -0.841 -2.284 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.007 -2.091 -1.067 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.324 -0.124 1.288 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.456 -1.458 0.959 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.060 0.211 1.084 1.00 0.96 H new ATOM 1039 N ARG B 20 147.457 -0.815 -1.826 1.00 0.35 N ATOM 1040 CA ARG B 20 148.724 -1.413 -1.410 1.00 0.49 C ATOM 1041 C ARG B 20 149.708 -0.338 -0.954 1.00 0.40 C ATOM 1042 O ARG B 20 150.169 -0.367 0.188 1.00 0.49 O ATOM 1043 CB ARG B 20 149.331 -2.240 -2.548 1.00 0.76 C ATOM 1044 CG ARG B 20 148.860 -3.686 -2.567 1.00 0.85 C ATOM 1045 CD ARG B 20 150.024 -4.654 -2.421 1.00 0.96 C ATOM 1046 NE ARG B 20 149.572 -6.036 -2.248 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.287 -7.110 -2.600 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.496 -6.972 -3.141 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.791 -8.328 -2.406 1.00 1.59 N ATOM 0 H ARG B 20 147.232 -0.954 -2.811 1.00 0.35 H new ATOM 0 HA ARG B 20 148.523 -2.075 -0.568 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.080 -1.772 -3.500 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.417 -2.221 -2.460 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.147 -3.848 -1.758 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.334 -3.886 -3.501 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.662 -4.589 -3.303 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.633 -4.362 -1.565 1.00 0.96 H new ATOM 0 HE ARG B 20 148.653 -6.189 -1.833 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.885 -6.041 -3.290 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.033 -7.797 -3.406 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.867 -8.442 -1.989 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.334 -9.149 -2.674 1.00 1.59 H new ATOM 1063 N ARG B 21 150.027 0.614 -1.843 1.00 0.35 N ATOM 1064 CA ARG B 21 150.955 1.698 -1.515 1.00 0.35 C ATOM 1065 C ARG B 21 150.534 2.415 -0.230 1.00 0.34 C ATOM 1066 O ARG B 21 151.383 2.807 0.568 1.00 0.47 O ATOM 1067 CB ARG B 21 151.042 2.686 -2.695 1.00 0.45 C ATOM 1068 CG ARG B 21 151.108 4.159 -2.302 1.00 0.70 C ATOM 1069 CD ARG B 21 152.536 4.611 -2.036 1.00 0.98 C ATOM 1070 NE ARG B 21 152.849 5.868 -2.719 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.418 5.949 -3.927 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.748 4.849 -4.600 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.656 7.141 -4.465 1.00 1.53 N ATOM 0 H ARG B 21 149.655 0.652 -2.792 1.00 0.35 H new ATOM 0 HA ARG B 21 151.942 1.270 -1.341 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.925 2.444 -3.287 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.175 2.536 -3.339 1.00 0.45 H new ATOM 0 HG2 ARG B 21 150.677 4.767 -3.098 1.00 0.70 H new ATOM 0 HG3 ARG B 21 150.503 4.325 -1.411 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.683 4.735 -0.963 1.00 0.98 H new ATOM 0 HD3 ARG B 21 153.229 3.837 -2.366 1.00 0.98 H new ATOM 0 HE ARG B 21 152.618 6.739 -2.242 1.00 0.97 H new ATOM 0 HH11 ARG B 21 153.568 3.930 -4.195 1.00 2.12 H new ATOM 0 HH12 ARG B 21 154.181 4.925 -5.520 1.00 2.12 H new ATOM 0 HH21 ARG B 21 153.405 7.989 -3.957 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.090 7.208 -5.386 1.00 1.53 H new ATOM 1087 N LYS B 22 149.221 2.574 -0.034 1.00 0.30 N ATOM 1088 CA LYS B 22 148.696 3.233 1.163 1.00 0.36 C ATOM 1089 C LYS B 22 149.263 2.586 2.428 1.00 0.31 C ATOM 1090 O LYS B 22 149.729 3.280 3.334 1.00 0.36 O ATOM 1091 CB LYS B 22 147.165 3.168 1.181 1.00 0.47 C ATOM 1092 CG LYS B 22 146.509 4.399 1.786 1.00 0.69 C ATOM 1093 CD LYS B 22 145.051 4.516 1.367 1.00 0.86 C ATOM 1094 CE LYS B 22 144.127 3.835 2.366 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.713 4.754 3.465 1.00 0.70 N ATOM 0 H LYS B 22 148.505 2.256 -0.688 1.00 0.30 H new ATOM 0 HA LYS B 22 149.004 4.278 1.139 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.803 3.039 0.161 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.854 2.288 1.743 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.574 4.350 2.873 1.00 0.69 H new ATOM 0 HG3 LYS B 22 147.051 5.292 1.474 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.780 5.568 1.278 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.917 4.068 0.382 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.241 3.468 1.848 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.630 2.966 2.791 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.085 4.249 4.122 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.556 5.085 3.977 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.209 5.571 3.064 1.00 0.70 H new ATOM 1109 N ASP B 23 149.228 1.250 2.473 1.00 0.32 N ATOM 1110 CA ASP B 23 149.747 0.495 3.615 1.00 0.32 C ATOM 1111 C ASP B 23 151.277 0.565 3.691 1.00 0.30 C ATOM 1112 O ASP B 23 151.860 0.326 4.750 1.00 0.37 O ATOM 1113 CB ASP B 23 149.299 -0.967 3.527 1.00 0.36 C ATOM 1114 CG ASP B 23 147.840 -1.150 3.897 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.550 -1.337 5.097 1.00 1.11 O ATOM 1116 OD2 ASP B 23 146.986 -1.106 2.985 1.00 1.15 O ATOM 0 H ASP B 23 148.844 0.669 1.728 1.00 0.32 H new ATOM 0 HA ASP B 23 149.344 0.947 4.521 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.462 -1.333 2.513 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.917 -1.574 4.189 1.00 0.36 H new ATOM 1121 N THR B 24 151.922 0.898 2.568 1.00 0.28 N ATOM 1122 CA THR B 24 153.380 1.007 2.511 1.00 0.29 C ATOM 1123 C THR B 24 153.841 2.432 2.855 1.00 0.27 C ATOM 1124 O THR B 24 154.984 2.637 3.265 1.00 0.32 O ATOM 1125 CB THR B 24 153.882 0.608 1.119 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.490 -0.717 0.808 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.388 0.684 0.973 1.00 0.55 C ATOM 0 H THR B 24 151.453 1.097 1.684 1.00 0.28 H new ATOM 0 HA THR B 24 153.803 0.328 3.251 1.00 0.29 H new ATOM 0 HB THR B 24 153.433 1.329 0.436 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.818 -0.954 -0.085 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.671 0.388 -0.037 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.720 1.705 1.158 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.858 0.013 1.693 1.00 0.55 H new ATOM 1135 N HIS B 25 152.932 3.403 2.712 1.00 0.26 N ATOM 1136 CA HIS B 25 153.237 4.795 3.034 1.00 0.29 C ATOM 1137 C HIS B 25 153.175 5.004 4.543 1.00 0.31 C ATOM 1138 O HIS B 25 154.007 5.707 5.118 1.00 0.41 O ATOM 1139 CB HIS B 25 152.273 5.746 2.323 1.00 0.34 C ATOM 1140 CG HIS B 25 152.952 6.941 1.729 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.814 7.750 2.440 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.897 7.460 0.480 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.259 8.715 1.655 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.718 8.560 0.461 1.00 0.74 N ATOM 0 H HIS B 25 151.982 3.247 2.376 1.00 0.26 H new ATOM 0 HA HIS B 25 154.245 5.017 2.685 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.753 5.203 1.534 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.516 6.082 3.031 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.316 7.080 -0.347 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.947 9.497 1.941 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.883 9.161 -0.346 1.00 0.74 H new ATOM 1153 N ILE B 26 152.199 4.359 5.183 1.00 0.29 N ATOM 1154 CA ILE B 26 152.049 4.439 6.632 1.00 0.35 C ATOM 1155 C ILE B 26 153.138 3.611 7.326 1.00 0.35 C ATOM 1156 O ILE B 26 153.420 3.809 8.508 1.00 0.47 O ATOM 1157 CB ILE B 26 150.658 3.948 7.095 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.383 2.529 6.582 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.573 4.906 6.622 1.00 0.54 C ATOM 1160 CD1 ILE B 26 150.103 1.527 7.682 1.00 0.68 C ATOM 0 H ILE B 26 151.502 3.776 4.719 1.00 0.29 H new ATOM 0 HA ILE B 26 152.149 5.488 6.910 1.00 0.35 H new ATOM 0 HB ILE B 26 150.649 3.923 8.185 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.531 2.557 5.903 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.242 2.189 6.003 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.600 4.547 6.956 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.756 5.897 7.038 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.586 4.961 5.533 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.918 0.547 7.243 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.963 1.469 8.349 1.00 0.68 H new ATOM 0 HD13 ILE B 26 149.226 1.843 8.247 1.00 0.68 H new ATOM 1172 N ARG B 27 153.760 2.698 6.566 1.00 0.31 N ATOM 1173 CA ARG B 27 154.832 1.853 7.081 1.00 0.37 C ATOM 1174 C ARG B 27 156.173 2.584 7.000 1.00 0.34 C ATOM 1175 O ARG B 27 156.984 2.508 7.925 1.00 0.39 O ATOM 1176 CB ARG B 27 154.901 0.541 6.295 1.00 0.46 C ATOM 1177 CG ARG B 27 155.506 -0.611 7.082 1.00 0.53 C ATOM 1178 CD ARG B 27 156.720 -1.195 6.375 1.00 0.80 C ATOM 1179 NE ARG B 27 156.841 -2.638 6.587 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.932 -3.349 6.290 1.00 0.92 C ATOM 1181 NH1 ARG B 27 159.003 -2.757 5.764 1.00 1.21 N ATOM 1182 NH2 ARG B 27 157.953 -4.658 6.519 1.00 1.67 N ATOM 0 H ARG B 27 153.532 2.530 5.586 1.00 0.31 H new ATOM 0 HA ARG B 27 154.619 1.626 8.126 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.896 0.264 5.978 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.488 0.700 5.391 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.794 -0.263 8.074 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.756 -1.390 7.223 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.649 -0.991 5.307 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.622 -0.700 6.735 1.00 0.80 H new ATOM 0 HE ARG B 27 156.043 -3.131 6.986 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.994 -1.753 5.585 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.832 -3.308 5.540 1.00 1.21 H new ATOM 0 HH21 ARG B 27 157.137 -5.119 6.921 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.786 -5.202 6.293 1.00 1.67 H new ATOM 1196 N GLU B 28 156.394 3.307 5.895 1.00 0.33 N ATOM 1197 CA GLU B 28 157.630 4.067 5.713 1.00 0.36 C ATOM 1198 C GLU B 28 157.690 5.222 6.711 1.00 0.35 C ATOM 1199 O GLU B 28 158.746 5.506 7.279 1.00 0.44 O ATOM 1200 CB GLU B 28 157.750 4.594 4.275 1.00 0.47 C ATOM 1201 CG GLU B 28 156.614 5.515 3.855 1.00 0.78 C ATOM 1202 CD GLU B 28 156.804 6.087 2.463 1.00 1.17 C ATOM 1203 OE1 GLU B 28 157.462 7.141 2.340 1.00 1.79 O ATOM 1204 OE2 GLU B 28 156.291 5.483 1.497 1.00 1.62 O ATOM 0 H GLU B 28 155.735 3.380 5.120 1.00 0.33 H new ATOM 0 HA GLU B 28 158.471 3.398 5.896 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.694 5.129 4.173 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.788 3.746 3.591 1.00 0.47 H new ATOM 0 HG2 GLU B 28 155.674 4.964 3.891 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.532 6.333 4.571 1.00 0.78 H new ATOM 1211 N LEU B 29 156.538 5.861 6.944 1.00 0.33 N ATOM 1212 CA LEU B 29 156.448 6.961 7.902 1.00 0.38 C ATOM 1213 C LEU B 29 156.551 6.437 9.339 1.00 0.42 C ATOM 1214 O LEU B 29 156.871 7.192 10.258 1.00 0.79 O ATOM 1215 CB LEU B 29 155.141 7.738 7.714 1.00 0.46 C ATOM 1216 CG LEU B 29 155.307 9.141 7.121 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.891 9.157 5.657 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.503 10.158 7.920 1.00 0.59 C ATOM 0 H LEU B 29 155.658 5.633 6.481 1.00 0.33 H new ATOM 0 HA LEU B 29 157.283 7.638 7.719 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.482 7.161 7.066 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.644 7.824 8.680 1.00 0.46 H new ATOM 0 HG LEU B 29 156.360 9.416 7.179 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.016 10.162 5.254 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.513 8.461 5.094 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.846 8.860 5.573 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.633 11.148 7.484 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.447 9.887 7.896 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.852 10.167 8.953 1.00 0.59 H new ATOM 1230 N GLU B 30 156.311 5.132 9.516 1.00 0.43 N ATOM 1231 CA GLU B 30 156.410 4.502 10.831 1.00 0.45 C ATOM 1232 C GLU B 30 157.867 4.496 11.295 1.00 0.44 C ATOM 1233 O GLU B 30 158.149 4.666 12.482 1.00 0.58 O ATOM 1234 CB GLU B 30 155.857 3.074 10.795 1.00 0.51 C ATOM 1235 CG GLU B 30 154.488 2.933 11.444 1.00 0.58 C ATOM 1236 CD GLU B 30 154.480 3.362 12.900 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.929 2.569 13.755 1.00 1.26 O ATOM 1238 OE2 GLU B 30 154.026 4.490 13.185 1.00 1.35 O ATOM 0 H GLU B 30 156.047 4.495 8.764 1.00 0.43 H new ATOM 0 HA GLU B 30 155.812 5.078 11.538 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.794 2.744 9.758 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.559 2.409 11.299 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.765 3.531 10.890 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.163 1.895 11.374 1.00 0.58 H new ATOM 1245 N ASP B 31 158.787 4.335 10.338 1.00 0.41 N ATOM 1246 CA ASP B 31 160.219 4.348 10.626 1.00 0.55 C ATOM 1247 C ASP B 31 160.746 5.788 10.607 1.00 0.57 C ATOM 1248 O ASP B 31 161.703 6.120 11.307 1.00 0.76 O ATOM 1249 CB ASP B 31 160.978 3.493 9.606 1.00 0.69 C ATOM 1250 CG ASP B 31 161.791 2.396 10.265 1.00 1.28 C ATOM 1251 OD1 ASP B 31 161.246 1.290 10.462 1.00 1.74 O ATOM 1252 OD2 ASP B 31 162.973 2.644 10.587 1.00 1.66 O ATOM 0 H ASP B 31 158.560 4.194 9.354 1.00 0.41 H new ATOM 0 HA ASP B 31 160.379 3.926 11.618 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.268 3.047 8.909 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.640 4.132 9.021 1.00 0.69 H new ATOM 1257 N TYR B 32 160.082 6.637 9.812 1.00 0.49 N ATOM 1258 CA TYR B 32 160.446 8.049 9.710 1.00 0.56 C ATOM 1259 C TYR B 32 160.210 8.746 11.050 1.00 0.56 C ATOM 1260 O TYR B 32 161.000 9.594 11.467 1.00 0.67 O ATOM 1261 CB TYR B 32 159.644 8.744 8.606 1.00 0.60 C ATOM 1262 CG TYR B 32 160.211 8.543 7.215 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.576 8.655 6.976 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.381 8.242 6.142 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.096 8.473 5.709 1.00 1.37 C ATOM 1266 CE2 TYR B 32 159.894 8.058 4.872 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.252 8.175 4.661 1.00 1.21 C ATOM 1268 OH TYR B 32 161.766 7.993 3.398 1.00 1.53 O ATOM 0 H TYR B 32 159.289 6.366 9.231 1.00 0.49 H new ATOM 0 HA TYR B 32 161.503 8.113 9.453 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.619 8.373 8.627 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.601 9.812 8.819 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.241 8.888 7.794 1.00 1.15 H new ATOM 0 HD2 TYR B 32 158.317 8.150 6.303 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.159 8.564 5.541 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.235 7.824 4.049 1.00 1.17 H new ATOM 0 HH TYR B 32 161.038 7.788 2.775 1.00 1.53 H new ATOM 1278 N ILE B 33 159.124 8.361 11.727 1.00 0.54 N ATOM 1279 CA ILE B 33 158.785 8.923 13.031 1.00 0.64 C ATOM 1280 C ILE B 33 159.603 8.245 14.131 1.00 0.58 C ATOM 1281 O ILE B 33 160.085 8.911 15.048 1.00 0.78 O ATOM 1282 CB ILE B 33 157.277 8.772 13.341 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.437 9.469 12.266 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.949 9.335 14.719 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.045 8.893 12.114 1.00 0.87 C ATOM 0 H ILE B 33 158.465 7.660 11.389 1.00 0.54 H new ATOM 0 HA ILE B 33 159.024 9.986 13.001 1.00 0.64 H new ATOM 0 HB ILE B 33 157.033 7.710 13.339 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.358 10.529 12.509 1.00 0.84 H new ATOM 0 HG13 ILE B 33 156.956 9.400 11.310 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.883 9.218 14.916 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.519 8.797 15.477 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.210 10.393 14.751 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.509 9.436 11.336 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.115 7.840 11.839 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.507 8.987 13.057 1.00 0.87 H new ATOM 1297 N ASP B 34 159.743 6.913 14.030 1.00 0.46 N ATOM 1298 CA ASP B 34 160.495 6.113 15.007 1.00 0.50 C ATOM 1299 C ASP B 34 161.755 6.828 15.504 1.00 0.40 C ATOM 1300 O ASP B 34 162.082 6.747 16.681 1.00 0.45 O ATOM 1301 CB ASP B 34 160.882 4.760 14.393 1.00 0.69 C ATOM 1302 CG ASP B 34 160.799 3.602 15.378 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.628 3.850 16.592 1.00 1.34 O ATOM 1304 OD2 ASP B 34 160.910 2.441 14.931 1.00 1.46 O ATOM 0 H ASP B 34 159.339 6.363 13.271 1.00 0.46 H new ATOM 0 HA ASP B 34 159.841 5.962 15.866 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.228 4.554 13.546 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.898 4.824 14.004 1.00 0.69 H new ATOM 1309 N ASN B 35 162.455 7.515 14.596 1.00 0.52 N ATOM 1310 CA ASN B 35 163.682 8.249 14.930 1.00 0.58 C ATOM 1311 C ASN B 35 163.582 8.915 16.306 1.00 0.49 C ATOM 1312 O ASN B 35 164.532 8.877 17.090 1.00 0.61 O ATOM 1313 CB ASN B 35 163.977 9.304 13.860 1.00 0.78 C ATOM 1314 CG ASN B 35 164.620 8.708 12.621 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.834 8.501 12.577 1.00 1.65 O ATOM 1316 ND2 ASN B 35 163.810 8.428 11.604 1.00 1.31 N ATOM 0 H ASN B 35 162.190 7.579 13.613 1.00 0.52 H new ATOM 0 HA ASN B 35 164.500 7.529 14.962 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.049 9.803 13.580 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.636 10.066 14.277 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.188 8.026 10.746 1.00 1.31 H new ATOM 0 HD22 ASN B 35 162.810 8.615 11.682 1.00 1.31 H new ATOM 1323 N LEU B 36 162.420 9.506 16.600 1.00 0.44 N ATOM 1324 CA LEU B 36 162.189 10.158 17.889 1.00 0.51 C ATOM 1325 C LEU B 36 162.267 9.131 19.021 1.00 0.47 C ATOM 1326 O LEU B 36 162.990 9.325 20.000 1.00 0.59 O ATOM 1327 CB LEU B 36 160.823 10.853 17.907 1.00 0.71 C ATOM 1328 CG LEU B 36 160.542 11.780 16.719 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.046 12.012 16.567 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.276 13.103 16.888 1.00 1.64 C ATOM 0 H LEU B 36 161.626 9.545 15.961 1.00 0.44 H new ATOM 0 HA LEU B 36 162.963 10.911 18.036 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.046 10.089 17.942 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.741 11.433 18.826 1.00 0.71 H new ATOM 0 HG LEU B 36 160.909 11.299 15.812 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.865 12.672 15.719 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.545 11.059 16.398 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.655 12.472 17.475 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.065 13.748 16.035 1.00 1.64 H new ATOM 0 HD22 LEU B 36 160.941 13.591 17.804 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.349 12.919 16.947 1.00 1.64 H new ATOM 1342 N LEU B 37 161.525 8.031 18.865 1.00 0.41 N ATOM 1343 CA LEU B 37 161.510 6.954 19.854 1.00 0.48 C ATOM 1344 C LEU B 37 162.120 5.675 19.265 1.00 0.41 C ATOM 1345 O LEU B 37 161.454 4.643 19.170 1.00 0.54 O ATOM 1346 CB LEU B 37 160.073 6.688 20.327 1.00 0.65 C ATOM 1347 CG LEU B 37 159.065 6.369 19.215 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.145 5.231 19.636 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.256 7.608 18.854 1.00 0.69 C ATOM 0 H LEU B 37 160.924 7.864 18.058 1.00 0.41 H new ATOM 0 HA LEU B 37 162.111 7.261 20.710 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.088 5.856 21.031 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.721 7.562 20.874 1.00 0.65 H new ATOM 0 HG LEU B 37 159.618 6.052 18.331 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.437 5.020 18.834 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.739 4.340 19.840 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.600 5.518 20.535 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.547 7.362 18.064 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.714 7.957 19.733 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.928 8.393 18.507 1.00 0.69 H new ATOM 1361 N VAL B 38 163.389 5.755 18.854 1.00 0.36 N ATOM 1362 CA VAL B 38 164.081 4.615 18.245 1.00 0.49 C ATOM 1363 C VAL B 38 163.882 3.331 19.055 1.00 0.67 C ATOM 1364 O VAL B 38 163.692 3.372 20.271 1.00 1.35 O ATOM 1365 CB VAL B 38 165.596 4.895 18.092 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.326 3.681 17.531 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.829 6.113 17.209 1.00 0.89 C ATOM 0 H VAL B 38 163.958 6.598 18.932 1.00 0.36 H new ATOM 0 HA VAL B 38 163.641 4.475 17.258 1.00 0.49 H new ATOM 0 HB VAL B 38 166.000 5.102 19.083 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.388 3.907 17.435 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.195 2.834 18.205 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.918 3.432 16.552 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.900 6.294 17.113 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.402 5.934 16.222 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.353 6.984 17.658 1.00 0.89 H new ATOM 1377 N ARG B 39 163.904 2.201 18.339 1.00 0.54 N ATOM 1378 CA ARG B 39 163.704 0.874 18.931 1.00 0.62 C ATOM 1379 C ARG B 39 164.667 0.606 20.093 1.00 0.51 C ATOM 1380 O ARG B 39 165.697 -0.052 19.927 1.00 0.63 O ATOM 1381 CB ARG B 39 163.850 -0.213 17.858 1.00 0.93 C ATOM 1382 CG ARG B 39 162.667 -1.166 17.793 1.00 1.15 C ATOM 1383 CD ARG B 39 162.433 -1.672 16.377 1.00 1.41 C ATOM 1384 NE ARG B 39 162.079 -3.092 16.351 1.00 1.58 N ATOM 1385 CZ ARG B 39 162.968 -4.088 16.417 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.270 -3.830 16.517 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.551 -5.350 16.383 1.00 2.18 N ATOM 0 H ARG B 39 164.061 2.181 17.331 1.00 0.54 H new ATOM 0 HA ARG B 39 162.693 0.849 19.337 1.00 0.62 H new ATOM 0 HB2 ARG B 39 163.977 0.263 16.886 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.757 -0.785 18.053 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.843 -2.012 18.458 1.00 1.15 H new ATOM 0 HG3 ARG B 39 161.771 -0.660 18.152 1.00 1.15 H new ATOM 0 HD2 ARG B 39 161.636 -1.092 15.912 1.00 1.41 H new ATOM 0 HD3 ARG B 39 163.332 -1.512 15.782 1.00 1.41 H new ATOM 0 HE ARG B 39 161.092 -3.337 16.278 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.598 -2.865 16.544 1.00 2.06 H new ATOM 0 HH12 ARG B 39 164.940 -4.598 16.567 1.00 2.06 H new ATOM 0 HH21 ARG B 39 161.555 -5.556 16.307 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.227 -6.112 16.433 1.00 2.18 H new ATOM 1401 N VAL B 40 164.310 1.119 21.271 1.00 0.43 N ATOM 1402 CA VAL B 40 165.115 0.945 22.479 1.00 0.56 C ATOM 1403 C VAL B 40 164.216 0.937 23.718 1.00 0.71 C ATOM 1404 O VAL B 40 164.182 1.903 24.484 1.00 1.15 O ATOM 1405 CB VAL B 40 166.184 2.057 22.625 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.092 1.777 23.815 1.00 1.04 C ATOM 1407 CG2 VAL B 40 167.004 2.197 21.349 1.00 0.65 C ATOM 0 H VAL B 40 163.460 1.664 21.414 1.00 0.43 H new ATOM 0 HA VAL B 40 165.630 -0.011 22.390 1.00 0.56 H new ATOM 0 HB VAL B 40 165.666 3.000 22.800 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.835 2.570 23.900 1.00 1.04 H new ATOM 0 HG12 VAL B 40 166.496 1.740 24.727 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.596 0.821 23.671 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.747 2.984 21.478 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.508 1.254 21.135 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.345 2.453 20.519 1.00 0.65 H new ATOM 1417 N MET B 41 163.478 -0.159 23.899 1.00 0.60 N ATOM 1418 CA MET B 41 162.567 -0.296 25.036 1.00 0.74 C ATOM 1419 C MET B 41 163.052 -1.380 25.998 1.00 0.91 C ATOM 1420 O MET B 41 163.261 -2.527 25.546 1.00 0.91 O ATOM 1421 CB MET B 41 161.147 -0.620 24.552 1.00 0.73 C ATOM 1422 CG MET B 41 160.691 0.226 23.371 1.00 0.74 C ATOM 1423 SD MET B 41 160.737 -0.679 21.811 1.00 0.86 S ATOM 1424 CE MET B 41 159.803 0.422 20.749 1.00 0.70 C ATOM 1425 OXT MET B 41 163.219 -1.072 27.196 1.00 1.13 O ATOM 0 H MET B 41 163.493 -0.964 23.273 1.00 0.60 H new ATOM 0 HA MET B 41 162.550 0.655 25.568 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.100 -1.672 24.272 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.451 -0.478 25.378 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.676 0.579 23.552 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.326 1.108 23.294 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.744 -0.002 19.747 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.797 0.547 21.150 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.299 1.392 20.704 1.00 0.70 H new