USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 536 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 Set 1.1: A 5 GLN : amide:sc= 0.174 K(o=1.5,f=-0.15!) USER MOD Set 1.2: A 35 THR OG1 : rot 167:sc= 1.28 USER MOD Set 2.1: A 17 CYS SG : rot -150:sc= 0.269 USER MOD Set 2.2: A 20 CYS SG : rot 137:sc= 0.299 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.353 K(o=1.4,f=-0.37) USER MOD Set 3.2: A 45 THR OG1 : rot -47:sc= 1.02 USER MOD Single : A 3 SER OG : rot -81:sc= 1.31 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 157:sc= -0.172 (180deg=-0.834) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00151) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0.496! (180deg=-0.744) USER MOD Single : A 31 MET CE :methyl -155:sc= -0.237 (180deg=-1.42) USER MOD Single : A 38 ASN : amide:sc= -0.0868 X(o=-0.087,f=-0.19) USER MOD Single : A 40 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.1) USER MOD Single : A 43 THR OG1 : rot -39:sc= 0.708 USER MOD Single : A 47 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.529) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0138) USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.931 K(o=0.93,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 0.133 15.681 13.010 1.00 0.65 N ATOM 40 CA SER A 3 0.319 14.328 12.515 1.00 0.52 C ATOM 41 C SER A 3 1.811 14.153 12.262 1.00 0.55 C ATOM 42 O SER A 3 2.446 15.086 11.768 1.00 0.89 O ATOM 43 CB SER A 3 -0.447 14.166 11.198 1.00 0.58 C ATOM 44 OG SER A 3 -1.821 14.020 11.464 1.00 0.83 O ATOM 0 HA SER A 3 -0.047 13.589 13.228 1.00 0.52 H new ATOM 0 HB2 SER A 3 -0.280 15.034 10.560 1.00 0.58 H new ATOM 0 HB3 SER A 3 -0.077 13.296 10.656 1.00 0.58 H new ATOM 0 HG SER A 3 -2.007 13.094 11.724 1.00 0.83 H new ATOM 50 N GLU A 4 2.362 12.982 12.587 1.00 0.44 N ATOM 51 CA GLU A 4 3.656 12.561 12.097 1.00 0.43 C ATOM 52 C GLU A 4 3.454 11.833 10.767 1.00 0.45 C ATOM 53 O GLU A 4 2.337 11.724 10.271 1.00 0.66 O ATOM 54 CB GLU A 4 4.321 11.675 13.148 1.00 0.50 C ATOM 55 CG GLU A 4 5.105 12.470 14.178 1.00 0.60 C ATOM 56 CD GLU A 4 5.988 11.611 15.081 1.00 0.97 C ATOM 57 OE1 GLU A 4 6.047 10.383 14.843 1.00 1.95 O ATOM 58 OE2 GLU A 4 6.606 12.208 15.987 1.00 1.83 O ATOM 0 H GLU A 4 1.913 12.303 13.201 1.00 0.44 H new ATOM 0 HA GLU A 4 4.314 13.412 11.922 1.00 0.43 H new ATOM 0 HB2 GLU A 4 3.557 11.085 13.655 1.00 0.50 H new ATOM 0 HB3 GLU A 4 4.990 10.971 12.653 1.00 0.50 H new ATOM 0 HG2 GLU A 4 5.730 13.198 13.662 1.00 0.60 H new ATOM 0 HG3 GLU A 4 4.406 13.032 14.798 1.00 0.60 H new ATOM 65 N GLN A 5 4.546 11.341 10.184 1.00 0.38 N ATOM 66 CA GLN A 5 4.553 10.437 9.054 1.00 0.36 C ATOM 67 C GLN A 5 5.555 9.340 9.368 1.00 0.34 C ATOM 68 O GLN A 5 6.556 9.619 10.028 1.00 0.41 O ATOM 69 CB GLN A 5 5.056 11.197 7.830 1.00 0.42 C ATOM 70 CG GLN A 5 4.094 12.307 7.412 1.00 0.51 C ATOM 71 CD GLN A 5 2.852 11.825 6.670 1.00 0.44 C ATOM 72 OE1 GLN A 5 1.989 12.639 6.367 1.00 1.15 O ATOM 73 NE2 GLN A 5 2.743 10.539 6.333 1.00 0.43 N ATOM 0 H GLN A 5 5.485 11.576 10.506 1.00 0.38 H new ATOM 0 HA GLN A 5 3.558 10.033 8.867 1.00 0.36 H new ATOM 0 HB2 GLN A 5 6.034 11.627 8.047 1.00 0.42 H new ATOM 0 HB3 GLN A 5 5.190 10.502 7.001 1.00 0.42 H new ATOM 0 HG2 GLN A 5 3.780 12.852 8.302 1.00 0.51 H new ATOM 0 HG3 GLN A 5 4.629 13.013 6.777 1.00 0.51 H new ATOM 0 HE21 GLN A 5 3.475 9.879 6.596 1.00 0.43 H new ATOM 0 HE22 GLN A 5 1.928 10.216 5.812 1.00 0.43 H new ATOM 82 N LYS A 6 5.313 8.127 8.873 1.00 0.31 N ATOM 83 CA LYS A 6 6.320 7.087 8.779 1.00 0.32 C ATOM 84 C LYS A 6 6.147 6.340 7.460 1.00 0.29 C ATOM 85 O LYS A 6 5.065 6.351 6.868 1.00 0.27 O ATOM 86 CB LYS A 6 6.273 6.140 9.985 1.00 0.39 C ATOM 87 CG LYS A 6 6.521 6.912 11.289 1.00 0.96 C ATOM 88 CD LYS A 6 6.791 5.987 12.480 1.00 1.35 C ATOM 89 CE LYS A 6 8.272 5.579 12.503 1.00 1.84 C ATOM 90 NZ LYS A 6 8.583 4.693 13.641 1.00 2.79 N ATOM 0 H LYS A 6 4.398 7.842 8.523 1.00 0.31 H new ATOM 0 HA LYS A 6 7.308 7.547 8.795 1.00 0.32 H new ATOM 0 HB2 LYS A 6 5.303 5.645 10.028 1.00 0.39 H new ATOM 0 HB3 LYS A 6 7.024 5.359 9.870 1.00 0.39 H new ATOM 0 HG2 LYS A 6 7.370 7.582 11.154 1.00 0.96 H new ATOM 0 HG3 LYS A 6 5.654 7.536 11.508 1.00 0.96 H new ATOM 0 HD2 LYS A 6 6.530 6.492 13.410 1.00 1.35 H new ATOM 0 HD3 LYS A 6 6.162 5.100 12.412 1.00 1.35 H new ATOM 0 HE2 LYS A 6 8.523 5.074 11.571 1.00 1.84 H new ATOM 0 HE3 LYS A 6 8.894 6.473 12.559 1.00 1.84 H new ATOM 0 HZ1 LYS A 6 9.592 4.441 13.619 1.00 2.79 H new ATOM 0 HZ2 LYS A 6 8.368 5.184 14.532 1.00 2.79 H new ATOM 0 HZ3 LYS A 6 8.009 3.828 13.575 1.00 2.79 H new ATOM 104 N GLU A 7 7.242 5.718 7.027 1.00 0.33 N ATOM 105 CA GLU A 7 7.456 5.099 5.742 1.00 0.32 C ATOM 106 C GLU A 7 7.639 3.616 6.008 1.00 0.39 C ATOM 107 O GLU A 7 8.743 3.132 6.256 1.00 0.70 O ATOM 108 CB GLU A 7 8.717 5.664 5.073 1.00 0.38 C ATOM 109 CG GLU A 7 8.947 7.174 5.244 1.00 0.52 C ATOM 110 CD GLU A 7 9.423 7.602 6.634 1.00 0.83 C ATOM 111 OE1 GLU A 7 9.619 6.713 7.496 1.00 0.78 O ATOM 112 OE2 GLU A 7 9.540 8.829 6.825 1.00 1.86 O ATOM 0 H GLU A 7 8.065 5.633 7.624 1.00 0.33 H new ATOM 0 HA GLU A 7 6.616 5.290 5.074 1.00 0.32 H new ATOM 0 HB2 GLU A 7 9.584 5.136 5.471 1.00 0.38 H new ATOM 0 HB3 GLU A 7 8.670 5.441 4.007 1.00 0.38 H new ATOM 0 HG2 GLU A 7 9.682 7.500 4.508 1.00 0.52 H new ATOM 0 HG3 GLU A 7 8.017 7.696 5.018 1.00 0.52 H new ATOM 119 N ILE A 8 6.542 2.879 6.002 1.00 0.29 N ATOM 120 CA ILE A 8 6.598 1.480 6.298 1.00 0.32 C ATOM 121 C ILE A 8 6.988 0.793 4.986 1.00 0.24 C ATOM 122 O ILE A 8 6.889 1.393 3.914 1.00 0.23 O ATOM 123 CB ILE A 8 5.260 1.055 6.894 1.00 0.45 C ATOM 124 CG1 ILE A 8 4.863 1.733 8.220 1.00 1.39 C ATOM 125 CG2 ILE A 8 5.322 -0.393 7.294 1.00 0.79 C ATOM 126 CD1 ILE A 8 4.636 3.225 8.126 1.00 2.14 C ATOM 0 H ILE A 8 5.609 3.236 5.794 1.00 0.29 H new ATOM 0 HA ILE A 8 7.337 1.201 7.049 1.00 0.32 H new ATOM 0 HB ILE A 8 4.553 1.317 6.107 1.00 0.45 H new ATOM 0 HG12 ILE A 8 3.953 1.264 8.593 1.00 1.39 H new ATOM 0 HG13 ILE A 8 5.644 1.544 8.957 1.00 1.39 H new ATOM 0 HG21 ILE A 8 4.365 -0.694 7.720 1.00 0.79 H new ATOM 0 HG22 ILE A 8 5.538 -1.004 6.417 1.00 0.79 H new ATOM 0 HG23 ILE A 8 6.109 -0.532 8.036 1.00 0.79 H new ATOM 0 HD11 ILE A 8 4.361 3.614 9.107 1.00 2.14 H new ATOM 0 HD12 ILE A 8 5.550 3.711 7.786 1.00 2.14 H new ATOM 0 HD13 ILE A 8 3.833 3.427 7.417 1.00 2.14 H new ATOM 138 N ALA A 9 7.474 -0.441 5.081 1.00 0.26 N ATOM 139 CA ALA A 9 7.851 -1.286 3.960 1.00 0.24 C ATOM 140 C ALA A 9 7.133 -2.618 4.144 1.00 0.34 C ATOM 141 O ALA A 9 7.249 -3.208 5.217 1.00 0.42 O ATOM 142 CB ALA A 9 9.369 -1.494 3.948 1.00 0.27 C ATOM 0 H ALA A 9 7.621 -0.896 5.982 1.00 0.26 H new ATOM 0 HA ALA A 9 7.572 -0.827 3.012 1.00 0.24 H new ATOM 0 HB1 ALA A 9 9.643 -2.128 3.105 1.00 0.27 H new ATOM 0 HB2 ALA A 9 9.868 -0.529 3.853 1.00 0.27 H new ATOM 0 HB3 ALA A 9 9.678 -1.973 4.877 1.00 0.27 H new ATOM 148 N MET A 10 6.388 -3.079 3.138 1.00 0.42 N ATOM 149 CA MET A 10 5.759 -4.393 3.142 1.00 0.47 C ATOM 150 C MET A 10 6.034 -5.086 1.808 1.00 0.34 C ATOM 151 O MET A 10 6.556 -4.468 0.881 1.00 0.30 O ATOM 152 CB MET A 10 4.254 -4.274 3.415 1.00 0.67 C ATOM 153 CG MET A 10 3.927 -3.543 4.724 1.00 1.23 C ATOM 154 SD MET A 10 3.499 -1.788 4.599 1.00 1.76 S ATOM 155 CE MET A 10 1.876 -1.917 3.819 1.00 2.10 C ATOM 0 H MET A 10 6.205 -2.542 2.290 1.00 0.42 H new ATOM 0 HA MET A 10 6.183 -4.997 3.944 1.00 0.47 H new ATOM 0 HB2 MET A 10 3.783 -3.747 2.586 1.00 0.67 H new ATOM 0 HB3 MET A 10 3.818 -5.273 3.447 1.00 0.67 H new ATOM 0 HG2 MET A 10 3.096 -4.061 5.203 1.00 1.23 H new ATOM 0 HG3 MET A 10 4.786 -3.636 5.388 1.00 1.23 H new ATOM 0 HE1 MET A 10 1.299 -1.017 4.029 1.00 2.10 H new ATOM 0 HE2 MET A 10 1.998 -2.026 2.741 1.00 2.10 H new ATOM 0 HE3 MET A 10 1.350 -2.786 4.215 1.00 2.10 H new ATOM 165 N GLN A 11 5.689 -6.370 1.716 1.00 0.35 N ATOM 166 CA GLN A 11 5.850 -7.181 0.520 1.00 0.32 C ATOM 167 C GLN A 11 4.529 -7.234 -0.240 1.00 0.29 C ATOM 168 O GLN A 11 3.468 -7.233 0.375 1.00 0.32 O ATOM 169 CB GLN A 11 6.320 -8.589 0.932 1.00 0.38 C ATOM 170 CG GLN A 11 7.847 -8.661 1.072 1.00 0.78 C ATOM 171 CD GLN A 11 8.501 -8.289 -0.248 1.00 1.32 C ATOM 172 OE1 GLN A 11 9.234 -7.306 -0.340 1.00 2.61 O ATOM 173 NE2 GLN A 11 8.127 -9.007 -1.298 1.00 0.85 N ATOM 0 H GLN A 11 5.279 -6.884 2.495 1.00 0.35 H new ATOM 0 HA GLN A 11 6.600 -6.745 -0.140 1.00 0.32 H new ATOM 0 HB2 GLN A 11 5.855 -8.865 1.878 1.00 0.38 H new ATOM 0 HB3 GLN A 11 5.988 -9.315 0.190 1.00 0.38 H new ATOM 0 HG2 GLN A 11 8.182 -7.984 1.858 1.00 0.78 H new ATOM 0 HG3 GLN A 11 8.148 -9.666 1.367 1.00 0.78 H new ATOM 0 HE21 GLN A 11 7.517 -9.815 -1.172 1.00 0.85 H new ATOM 0 HE22 GLN A 11 8.449 -8.751 -2.231 1.00 0.85 H new ATOM 182 N VAL A 12 4.577 -7.270 -1.573 1.00 0.58 N ATOM 183 CA VAL A 12 3.381 -7.358 -2.402 1.00 0.60 C ATOM 184 C VAL A 12 3.158 -8.818 -2.798 1.00 0.56 C ATOM 185 O VAL A 12 4.112 -9.587 -2.897 1.00 0.60 O ATOM 186 CB VAL A 12 3.521 -6.424 -3.618 1.00 0.69 C ATOM 187 CG1 VAL A 12 2.274 -6.458 -4.511 1.00 1.26 C ATOM 188 CG2 VAL A 12 3.718 -4.988 -3.117 1.00 1.21 C ATOM 0 H VAL A 12 5.447 -7.239 -2.105 1.00 0.58 H new ATOM 0 HA VAL A 12 2.501 -7.027 -1.850 1.00 0.60 H new ATOM 0 HB VAL A 12 4.374 -6.762 -4.206 1.00 0.69 H new ATOM 0 HG11 VAL A 12 2.414 -5.785 -5.357 1.00 1.26 H new ATOM 0 HG12 VAL A 12 2.116 -7.473 -4.876 1.00 1.26 H new ATOM 0 HG13 VAL A 12 1.405 -6.140 -3.935 1.00 1.26 H new ATOM 0 HG21 VAL A 12 3.819 -4.316 -3.969 1.00 1.21 H new ATOM 0 HG22 VAL A 12 2.857 -4.690 -2.519 1.00 1.21 H new ATOM 0 HG23 VAL A 12 4.619 -4.936 -2.506 1.00 1.21 H new ATOM 198 N SER A 13 1.899 -9.204 -3.021 1.00 0.55 N ATOM 199 CA SER A 13 1.538 -10.486 -3.596 1.00 0.58 C ATOM 200 C SER A 13 0.352 -10.271 -4.534 1.00 0.67 C ATOM 201 O SER A 13 -0.150 -9.155 -4.653 1.00 0.87 O ATOM 202 CB SER A 13 1.213 -11.495 -2.492 1.00 0.65 C ATOM 203 OG SER A 13 1.105 -12.794 -3.049 1.00 1.65 O ATOM 0 H SER A 13 1.094 -8.618 -2.800 1.00 0.55 H new ATOM 0 HA SER A 13 2.372 -10.898 -4.164 1.00 0.58 H new ATOM 0 HB2 SER A 13 1.993 -11.479 -1.730 1.00 0.65 H new ATOM 0 HB3 SER A 13 0.280 -11.221 -1.999 1.00 0.65 H new ATOM 0 HG SER A 13 0.899 -13.438 -2.340 1.00 1.65 H new ATOM 209 N GLY A 14 -0.070 -11.346 -5.204 1.00 0.66 N ATOM 210 CA GLY A 14 -1.161 -11.331 -6.168 1.00 0.80 C ATOM 211 C GLY A 14 -0.950 -10.261 -7.239 1.00 0.89 C ATOM 212 O GLY A 14 -1.794 -9.386 -7.416 1.00 1.53 O ATOM 0 H GLY A 14 0.349 -12.268 -5.085 1.00 0.66 H new ATOM 0 HA2 GLY A 14 -1.243 -12.309 -6.641 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -2.103 -11.148 -5.650 1.00 0.80 H new ATOM 216 N MET A 15 0.178 -10.336 -7.952 1.00 1.00 N ATOM 217 CA MET A 15 0.538 -9.391 -8.997 1.00 1.01 C ATOM 218 C MET A 15 1.165 -10.140 -10.169 1.00 1.25 C ATOM 219 O MET A 15 1.984 -11.031 -9.952 1.00 1.62 O ATOM 220 CB MET A 15 1.494 -8.329 -8.428 1.00 0.86 C ATOM 221 CG MET A 15 2.894 -8.859 -8.075 1.00 0.94 C ATOM 222 SD MET A 15 4.122 -8.759 -9.409 1.00 1.57 S ATOM 223 CE MET A 15 5.430 -9.789 -8.706 1.00 1.93 C ATOM 0 H MET A 15 0.873 -11.069 -7.812 1.00 1.00 H new ATOM 0 HA MET A 15 -0.353 -8.880 -9.361 1.00 1.01 H new ATOM 0 HB2 MET A 15 1.596 -7.523 -9.155 1.00 0.86 H new ATOM 0 HB3 MET A 15 1.046 -7.896 -7.533 1.00 0.86 H new ATOM 0 HG2 MET A 15 3.269 -8.302 -7.216 1.00 0.94 H new ATOM 0 HG3 MET A 15 2.803 -9.900 -7.765 1.00 0.94 H new ATOM 0 HE1 MET A 15 6.269 -9.837 -9.401 1.00 1.93 H new ATOM 0 HE2 MET A 15 5.765 -9.358 -7.762 1.00 1.93 H new ATOM 0 HE3 MET A 15 5.047 -10.794 -8.531 1.00 1.93 H new ATOM 233 N THR A 16 0.794 -9.759 -11.392 1.00 1.27 N ATOM 234 CA THR A 16 1.487 -10.164 -12.617 1.00 1.52 C ATOM 235 C THR A 16 1.505 -9.055 -13.684 1.00 1.06 C ATOM 236 O THR A 16 1.950 -9.294 -14.805 1.00 1.77 O ATOM 237 CB THR A 16 0.904 -11.485 -13.160 1.00 2.60 C ATOM 238 OG1 THR A 16 -0.455 -11.617 -12.784 1.00 3.12 O ATOM 239 CG2 THR A 16 1.669 -12.711 -12.646 1.00 3.78 C ATOM 0 H THR A 16 -0.008 -9.152 -11.563 1.00 1.27 H new ATOM 0 HA THR A 16 2.531 -10.339 -12.357 1.00 1.52 H new ATOM 0 HB THR A 16 0.998 -11.444 -14.245 1.00 2.60 H new ATOM 0 HG1 THR A 16 -0.812 -12.459 -13.137 1.00 3.12 H new ATOM 0 HG21 THR A 16 1.222 -13.617 -13.055 1.00 3.78 H new ATOM 0 HG22 THR A 16 2.711 -12.647 -12.959 1.00 3.78 H new ATOM 0 HG23 THR A 16 1.619 -12.741 -11.558 1.00 3.78 H new ATOM 247 N CYS A 17 1.063 -7.840 -13.340 1.00 0.78 N ATOM 248 CA CYS A 17 0.849 -6.741 -14.272 1.00 1.48 C ATOM 249 C CYS A 17 1.892 -5.637 -14.098 1.00 1.58 C ATOM 250 O CYS A 17 2.040 -4.785 -14.971 1.00 2.90 O ATOM 251 CB CYS A 17 -0.533 -6.137 -14.001 1.00 2.20 C ATOM 252 SG CYS A 17 -1.801 -7.411 -13.771 1.00 2.91 S ATOM 0 H CYS A 17 0.840 -7.593 -12.376 1.00 0.78 H new ATOM 0 HA CYS A 17 0.928 -7.135 -15.285 1.00 1.48 H new ATOM 0 HB2 CYS A 17 -0.485 -5.509 -13.111 1.00 2.20 H new ATOM 0 HB3 CYS A 17 -0.815 -5.491 -14.833 1.00 2.20 H new ATOM 0 HG CYS A 17 -2.952 -6.954 -14.168 1.00 2.91 H new ATOM 257 N ALA A 18 2.535 -5.588 -12.924 1.00 1.29 N ATOM 258 CA ALA A 18 3.329 -4.466 -12.434 1.00 1.25 C ATOM 259 C ALA A 18 2.449 -3.229 -12.212 1.00 1.21 C ATOM 260 O ALA A 18 2.224 -2.830 -11.072 1.00 2.55 O ATOM 261 CB ALA A 18 4.543 -4.193 -13.335 1.00 1.78 C ATOM 0 H ALA A 18 2.512 -6.366 -12.265 1.00 1.29 H new ATOM 0 HA ALA A 18 3.739 -4.735 -11.461 1.00 1.25 H new ATOM 0 HB1 ALA A 18 5.109 -3.351 -12.937 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.180 -5.077 -13.365 1.00 1.78 H new ATOM 0 HB3 ALA A 18 4.202 -3.957 -14.343 1.00 1.78 H new ATOM 267 N ALA A 19 1.931 -2.645 -13.296 1.00 0.81 N ATOM 268 CA ALA A 19 1.150 -1.411 -13.311 1.00 0.59 C ATOM 269 C ALA A 19 0.102 -1.364 -12.195 1.00 0.38 C ATOM 270 O ALA A 19 0.009 -0.386 -11.459 1.00 0.43 O ATOM 271 CB ALA A 19 0.490 -1.254 -14.685 1.00 0.84 C ATOM 0 H ALA A 19 2.052 -3.040 -14.229 1.00 0.81 H new ATOM 0 HA ALA A 19 1.829 -0.578 -13.126 1.00 0.59 H new ATOM 0 HB1 ALA A 19 -0.095 -0.335 -14.705 1.00 0.84 H new ATOM 0 HB2 ALA A 19 1.260 -1.211 -15.456 1.00 0.84 H new ATOM 0 HB3 ALA A 19 -0.165 -2.105 -14.874 1.00 0.84 H new ATOM 277 N CYS A 20 -0.690 -2.427 -12.062 1.00 0.36 N ATOM 278 CA CYS A 20 -1.749 -2.533 -11.068 1.00 0.34 C ATOM 279 C CYS A 20 -1.268 -2.244 -9.644 1.00 0.29 C ATOM 280 O CYS A 20 -1.978 -1.617 -8.856 1.00 0.31 O ATOM 281 CB CYS A 20 -2.368 -3.930 -11.185 1.00 0.45 C ATOM 282 SG CYS A 20 -3.190 -4.053 -12.798 1.00 1.19 S ATOM 0 H CYS A 20 -0.609 -3.253 -12.655 1.00 0.36 H new ATOM 0 HA CYS A 20 -2.499 -1.768 -11.270 1.00 0.34 H new ATOM 0 HB2 CYS A 20 -1.598 -4.696 -11.091 1.00 0.45 H new ATOM 0 HB3 CYS A 20 -3.084 -4.097 -10.380 1.00 0.45 H new ATOM 0 HG CYS A 20 -2.928 -5.209 -13.332 1.00 1.19 H new ATOM 287 N ALA A 21 -0.039 -2.646 -9.322 1.00 0.34 N ATOM 288 CA ALA A 21 0.515 -2.414 -8.001 1.00 0.33 C ATOM 289 C ALA A 21 0.653 -0.908 -7.713 1.00 0.30 C ATOM 290 O ALA A 21 0.663 -0.487 -6.559 1.00 0.32 O ATOM 291 CB ALA A 21 1.831 -3.181 -7.874 1.00 0.42 C ATOM 0 H ALA A 21 0.587 -3.134 -9.963 1.00 0.34 H new ATOM 0 HA ALA A 21 -0.164 -2.792 -7.237 1.00 0.33 H new ATOM 0 HB1 ALA A 21 2.256 -3.013 -6.884 1.00 0.42 H new ATOM 0 HB2 ALA A 21 1.646 -4.246 -8.014 1.00 0.42 H new ATOM 0 HB3 ALA A 21 2.531 -2.831 -8.633 1.00 0.42 H new ATOM 297 N ALA A 22 0.733 -0.070 -8.754 1.00 0.29 N ATOM 298 CA ALA A 22 0.676 1.375 -8.602 1.00 0.29 C ATOM 299 C ALA A 22 -0.741 1.794 -8.224 1.00 0.28 C ATOM 300 O ALA A 22 -0.946 2.530 -7.261 1.00 0.27 O ATOM 301 CB ALA A 22 1.093 2.049 -9.911 1.00 0.31 C ATOM 0 H ALA A 22 0.839 -0.381 -9.720 1.00 0.29 H new ATOM 0 HA ALA A 22 1.361 1.684 -7.812 1.00 0.29 H new ATOM 0 HB1 ALA A 22 1.049 3.132 -9.793 1.00 0.31 H new ATOM 0 HB2 ALA A 22 2.111 1.753 -10.165 1.00 0.31 H new ATOM 0 HB3 ALA A 22 0.417 1.743 -10.709 1.00 0.31 H new ATOM 307 N ARG A 23 -1.718 1.349 -9.021 1.00 0.31 N ATOM 308 CA ARG A 23 -3.117 1.708 -8.849 1.00 0.30 C ATOM 309 C ARG A 23 -3.549 1.466 -7.410 1.00 0.28 C ATOM 310 O ARG A 23 -4.150 2.354 -6.804 1.00 0.27 O ATOM 311 CB ARG A 23 -3.997 0.917 -9.824 1.00 0.37 C ATOM 312 CG ARG A 23 -3.893 1.480 -11.247 1.00 0.61 C ATOM 313 CD ARG A 23 -3.983 0.368 -12.303 1.00 1.60 C ATOM 314 NE ARG A 23 -4.709 0.805 -13.505 1.00 2.14 N ATOM 315 CZ ARG A 23 -6.042 0.733 -13.662 1.00 2.80 C ATOM 316 NH1 ARG A 23 -6.811 0.327 -12.645 1.00 3.77 N ATOM 317 NH2 ARG A 23 -6.599 1.074 -14.829 1.00 3.70 N ATOM 0 H ARG A 23 -1.551 0.724 -9.809 1.00 0.31 H new ATOM 0 HA ARG A 23 -3.237 2.769 -9.069 1.00 0.30 H new ATOM 0 HB2 ARG A 23 -3.696 -0.131 -9.822 1.00 0.37 H new ATOM 0 HB3 ARG A 23 -5.034 0.951 -9.491 1.00 0.37 H new ATOM 0 HG2 ARG A 23 -4.691 2.204 -11.412 1.00 0.61 H new ATOM 0 HG3 ARG A 23 -2.949 2.014 -11.360 1.00 0.61 H new ATOM 0 HD2 ARG A 23 -2.978 0.051 -12.582 1.00 1.60 H new ATOM 0 HD3 ARG A 23 -4.483 -0.500 -11.873 1.00 1.60 H new ATOM 0 HE ARG A 23 -4.162 1.190 -14.275 1.00 2.14 H new ATOM 0 HH11 ARG A 23 -6.385 0.073 -11.753 1.00 3.77 H new ATOM 0 HH12 ARG A 23 -7.823 0.271 -12.761 1.00 3.77 H new ATOM 0 HH21 ARG A 23 -6.012 1.389 -15.601 1.00 3.70 H new ATOM 0 HH22 ARG A 23 -7.611 1.019 -14.947 1.00 3.70 H new ATOM 331 N ILE A 24 -3.231 0.289 -6.857 1.00 0.29 N ATOM 332 CA ILE A 24 -3.611 0.012 -5.480 1.00 0.31 C ATOM 333 C ILE A 24 -3.040 1.065 -4.528 1.00 0.28 C ATOM 334 O ILE A 24 -3.805 1.721 -3.831 1.00 0.28 O ATOM 335 CB ILE A 24 -3.370 -1.443 -5.056 1.00 0.37 C ATOM 336 CG1 ILE A 24 -1.881 -1.722 -4.894 1.00 0.40 C ATOM 337 CG2 ILE A 24 -4.042 -2.390 -6.056 1.00 0.49 C ATOM 338 CD1 ILE A 24 -1.532 -3.192 -4.696 1.00 0.46 C ATOM 0 H ILE A 24 -2.727 -0.461 -7.330 1.00 0.29 H new ATOM 0 HA ILE A 24 -4.695 0.107 -5.414 1.00 0.31 H new ATOM 0 HB ILE A 24 -3.823 -1.617 -4.080 1.00 0.37 H new ATOM 0 HG12 ILE A 24 -1.357 -1.353 -5.775 1.00 0.40 H new ATOM 0 HG13 ILE A 24 -1.509 -1.155 -4.041 1.00 0.40 H new ATOM 0 HG21 ILE A 24 -3.869 -3.422 -5.752 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -5.114 -2.193 -6.079 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -3.622 -2.229 -7.049 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -0.452 -3.299 -4.589 1.00 0.46 H new ATOM 0 HD12 ILE A 24 -2.024 -3.565 -3.798 1.00 0.46 H new ATOM 0 HD13 ILE A 24 -1.870 -3.766 -5.559 1.00 0.46 H new ATOM 350 N GLU A 25 -1.723 1.286 -4.541 1.00 0.27 N ATOM 351 CA GLU A 25 -1.057 2.265 -3.689 1.00 0.25 C ATOM 352 C GLU A 25 -1.672 3.661 -3.833 1.00 0.23 C ATOM 353 O GLU A 25 -1.881 4.365 -2.848 1.00 0.26 O ATOM 354 CB GLU A 25 0.441 2.274 -4.018 1.00 0.28 C ATOM 355 CG GLU A 25 1.162 1.163 -3.245 1.00 0.61 C ATOM 356 CD GLU A 25 1.505 1.613 -1.832 1.00 1.63 C ATOM 357 OE1 GLU A 25 2.541 2.302 -1.712 1.00 3.19 O ATOM 358 OE2 GLU A 25 0.723 1.289 -0.916 1.00 2.51 O ATOM 0 H GLU A 25 -1.083 0.781 -5.154 1.00 0.27 H new ATOM 0 HA GLU A 25 -1.196 1.978 -2.647 1.00 0.25 H new ATOM 0 HB2 GLU A 25 0.586 2.134 -5.089 1.00 0.28 H new ATOM 0 HB3 GLU A 25 0.871 3.242 -3.762 1.00 0.28 H new ATOM 0 HG2 GLU A 25 0.531 0.275 -3.204 1.00 0.61 H new ATOM 0 HG3 GLU A 25 2.074 0.882 -3.772 1.00 0.61 H new ATOM 365 N LYS A 26 -1.971 4.088 -5.059 1.00 0.24 N ATOM 366 CA LYS A 26 -2.524 5.421 -5.277 1.00 0.29 C ATOM 367 C LYS A 26 -3.966 5.507 -4.760 1.00 0.29 C ATOM 368 O LYS A 26 -4.319 6.434 -4.030 1.00 0.45 O ATOM 369 CB LYS A 26 -2.384 5.825 -6.750 1.00 0.35 C ATOM 370 CG LYS A 26 -0.926 5.806 -7.250 1.00 0.47 C ATOM 371 CD LYS A 26 -0.030 6.889 -6.624 1.00 1.36 C ATOM 372 CE LYS A 26 1.456 6.675 -6.954 1.00 0.99 C ATOM 373 NZ LYS A 26 1.733 6.701 -8.406 1.00 1.95 N ATOM 0 H LYS A 26 -1.841 3.536 -5.907 1.00 0.24 H new ATOM 0 HA LYS A 26 -1.951 6.146 -4.699 1.00 0.29 H new ATOM 0 HB2 LYS A 26 -2.980 5.149 -7.363 1.00 0.35 H new ATOM 0 HB3 LYS A 26 -2.795 6.825 -6.886 1.00 0.35 H new ATOM 0 HG2 LYS A 26 -0.494 4.827 -7.040 1.00 0.47 H new ATOM 0 HG3 LYS A 26 -0.924 5.930 -8.333 1.00 0.47 H new ATOM 0 HD2 LYS A 26 -0.343 7.869 -6.983 1.00 1.36 H new ATOM 0 HD3 LYS A 26 -0.164 6.888 -5.542 1.00 1.36 H new ATOM 0 HE2 LYS A 26 2.047 7.448 -6.463 1.00 0.99 H new ATOM 0 HE3 LYS A 26 1.780 5.718 -6.545 1.00 0.99 H new ATOM 0 HZ1 LYS A 26 2.752 6.569 -8.567 1.00 1.95 H new ATOM 0 HZ2 LYS A 26 1.206 5.936 -8.874 1.00 1.95 H new ATOM 0 HZ3 LYS A 26 1.436 7.617 -8.800 1.00 1.95 H new ATOM 387 N GLY A 27 -4.806 4.526 -5.099 1.00 0.27 N ATOM 388 CA GLY A 27 -6.163 4.456 -4.571 1.00 0.32 C ATOM 389 C GLY A 27 -6.161 4.291 -3.050 1.00 0.39 C ATOM 390 O GLY A 27 -7.108 4.698 -2.376 1.00 0.64 O ATOM 0 H GLY A 27 -4.566 3.769 -5.739 1.00 0.27 H new ATOM 0 HA2 GLY A 27 -6.707 5.361 -4.840 1.00 0.32 H new ATOM 0 HA3 GLY A 27 -6.691 3.619 -5.029 1.00 0.32 H new ATOM 394 N LEU A 28 -5.112 3.676 -2.510 1.00 0.32 N ATOM 395 CA LEU A 28 -4.860 3.517 -1.090 1.00 0.36 C ATOM 396 C LEU A 28 -4.535 4.887 -0.478 1.00 0.38 C ATOM 397 O LEU A 28 -5.164 5.266 0.509 1.00 0.51 O ATOM 398 CB LEU A 28 -3.817 2.409 -0.933 1.00 0.43 C ATOM 399 CG LEU A 28 -3.428 2.031 0.494 1.00 0.40 C ATOM 400 CD1 LEU A 28 -3.074 0.543 0.483 1.00 1.89 C ATOM 401 CD2 LEU A 28 -2.242 2.897 0.919 1.00 1.78 C ATOM 0 H LEU A 28 -4.381 3.256 -3.084 1.00 0.32 H new ATOM 0 HA LEU A 28 -5.725 3.183 -0.516 1.00 0.36 H new ATOM 0 HB2 LEU A 28 -4.192 1.515 -1.431 1.00 0.43 H new ATOM 0 HB3 LEU A 28 -2.914 2.714 -1.462 1.00 0.43 H new ATOM 0 HG LEU A 28 -4.235 2.201 1.206 1.00 0.40 H new ATOM 0 HD11 LEU A 28 -2.789 0.229 1.487 1.00 1.89 H new ATOM 0 HD12 LEU A 28 -3.938 -0.034 0.154 1.00 1.89 H new ATOM 0 HD13 LEU A 28 -2.242 0.372 -0.200 1.00 1.89 H new ATOM 0 HD21 LEU A 28 -1.950 2.640 1.937 1.00 1.78 H new ATOM 0 HD22 LEU A 28 -1.403 2.721 0.246 1.00 1.78 H new ATOM 0 HD23 LEU A 28 -2.526 3.949 0.877 1.00 1.78 H new ATOM 413 N LYS A 29 -3.638 5.671 -1.095 1.00 0.33 N ATOM 414 CA LYS A 29 -3.327 7.036 -0.660 1.00 0.41 C ATOM 415 C LYS A 29 -4.595 7.873 -0.471 1.00 0.45 C ATOM 416 O LYS A 29 -4.654 8.719 0.412 1.00 0.70 O ATOM 417 CB LYS A 29 -2.342 7.735 -1.618 1.00 0.48 C ATOM 418 CG LYS A 29 -1.789 9.044 -1.010 1.00 0.74 C ATOM 419 CD LYS A 29 -1.779 10.234 -1.991 1.00 0.92 C ATOM 420 CE LYS A 29 -0.505 10.313 -2.851 1.00 1.47 C ATOM 421 NZ LYS A 29 0.428 11.366 -2.389 1.00 2.74 N ATOM 0 H LYS A 29 -3.107 5.372 -1.913 1.00 0.33 H new ATOM 0 HA LYS A 29 -2.837 6.952 0.310 1.00 0.41 H new ATOM 0 HB2 LYS A 29 -1.516 7.062 -1.846 1.00 0.48 H new ATOM 0 HB3 LYS A 29 -2.844 7.954 -2.560 1.00 0.48 H new ATOM 0 HG2 LYS A 29 -2.388 9.309 -0.139 1.00 0.74 H new ATOM 0 HG3 LYS A 29 -0.773 8.868 -0.657 1.00 0.74 H new ATOM 0 HD2 LYS A 29 -2.646 10.160 -2.647 1.00 0.92 H new ATOM 0 HD3 LYS A 29 -1.884 11.160 -1.426 1.00 0.92 H new ATOM 0 HE2 LYS A 29 0.003 9.349 -2.832 1.00 1.47 H new ATOM 0 HE3 LYS A 29 -0.782 10.507 -3.887 1.00 1.47 H new ATOM 0 HZ1 LYS A 29 1.366 11.208 -2.810 1.00 2.74 H new ATOM 0 HZ2 LYS A 29 0.070 12.298 -2.679 1.00 2.74 H new ATOM 0 HZ3 LYS A 29 0.504 11.332 -1.352 1.00 2.74 H new ATOM 435 N ARG A 30 -5.615 7.648 -1.297 1.00 0.35 N ATOM 436 CA ARG A 30 -6.874 8.376 -1.199 1.00 0.40 C ATOM 437 C ARG A 30 -7.644 8.167 0.123 1.00 0.43 C ATOM 438 O ARG A 30 -8.654 8.840 0.323 1.00 0.50 O ATOM 439 CB ARG A 30 -7.737 8.072 -2.436 1.00 0.44 C ATOM 440 CG ARG A 30 -7.656 9.188 -3.487 1.00 0.72 C ATOM 441 CD ARG A 30 -8.457 10.430 -3.061 1.00 1.58 C ATOM 442 NE ARG A 30 -8.578 11.400 -4.163 1.00 1.84 N ATOM 443 CZ ARG A 30 -7.690 12.359 -4.477 1.00 2.84 C ATOM 444 NH1 ARG A 30 -6.556 12.480 -3.776 1.00 4.40 N ATOM 445 NH2 ARG A 30 -7.940 13.191 -5.495 1.00 3.05 N ATOM 0 H ARG A 30 -5.591 6.959 -2.049 1.00 0.35 H new ATOM 0 HA ARG A 30 -6.624 9.437 -1.180 1.00 0.40 H new ATOM 0 HB2 ARG A 30 -7.412 7.131 -2.881 1.00 0.44 H new ATOM 0 HB3 ARG A 30 -8.774 7.938 -2.129 1.00 0.44 H new ATOM 0 HG2 ARG A 30 -6.613 9.464 -3.645 1.00 0.72 H new ATOM 0 HG3 ARG A 30 -8.036 8.819 -4.440 1.00 0.72 H new ATOM 0 HD2 ARG A 30 -9.451 10.127 -2.731 1.00 1.58 H new ATOM 0 HD3 ARG A 30 -7.969 10.904 -2.210 1.00 1.58 H new ATOM 0 HE ARG A 30 -9.415 11.338 -4.743 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -6.365 11.844 -3.002 1.00 4.40 H new ATOM 0 HH12 ARG A 30 -5.883 13.208 -4.016 1.00 4.40 H new ATOM 0 HH21 ARG A 30 -8.803 13.097 -6.031 1.00 3.05 H new ATOM 0 HH22 ARG A 30 -7.268 13.920 -5.735 1.00 3.05 H new ATOM 459 N MET A 31 -7.224 7.260 1.015 1.00 0.43 N ATOM 460 CA MET A 31 -7.799 7.163 2.359 1.00 0.45 C ATOM 461 C MET A 31 -7.389 8.336 3.257 1.00 0.48 C ATOM 462 O MET A 31 -6.470 9.080 2.922 1.00 0.70 O ATOM 463 CB MET A 31 -7.323 5.863 3.018 1.00 0.57 C ATOM 464 CG MET A 31 -8.287 4.717 2.743 1.00 1.87 C ATOM 465 SD MET A 31 -7.897 3.214 3.661 1.00 2.84 S ATOM 466 CE MET A 31 -6.194 3.001 3.116 1.00 3.45 C ATOM 0 H MET A 31 -6.486 6.582 0.827 1.00 0.43 H new ATOM 0 HA MET A 31 -8.883 7.181 2.249 1.00 0.45 H new ATOM 0 HB2 MET A 31 -6.332 5.605 2.644 1.00 0.57 H new ATOM 0 HB3 MET A 31 -7.229 6.012 4.094 1.00 0.57 H new ATOM 0 HG2 MET A 31 -9.299 5.035 2.995 1.00 1.87 H new ATOM 0 HG3 MET A 31 -8.279 4.494 1.676 1.00 1.87 H new ATOM 0 HE1 MET A 31 -5.916 1.950 3.193 1.00 3.45 H new ATOM 0 HE2 MET A 31 -6.100 3.326 2.080 1.00 3.45 H new ATOM 0 HE3 MET A 31 -5.533 3.598 3.745 1.00 3.45 H new ATOM 476 N PRO A 32 -8.020 8.467 4.436 1.00 0.43 N ATOM 477 CA PRO A 32 -7.447 9.237 5.531 1.00 0.43 C ATOM 478 C PRO A 32 -6.099 8.630 5.953 1.00 0.53 C ATOM 479 O PRO A 32 -5.781 7.491 5.615 1.00 1.01 O ATOM 480 CB PRO A 32 -8.487 9.174 6.656 1.00 0.63 C ATOM 481 CG PRO A 32 -9.199 7.845 6.407 1.00 0.68 C ATOM 482 CD PRO A 32 -9.211 7.748 4.880 1.00 0.55 C ATOM 0 HA PRO A 32 -7.238 10.271 5.256 1.00 0.43 H new ATOM 0 HB2 PRO A 32 -8.017 9.200 7.639 1.00 0.63 H new ATOM 0 HB3 PRO A 32 -9.179 10.015 6.611 1.00 0.63 H new ATOM 0 HG2 PRO A 32 -8.666 7.009 6.861 1.00 0.68 H new ATOM 0 HG3 PRO A 32 -10.208 7.843 6.820 1.00 0.68 H new ATOM 0 HD2 PRO A 32 -9.187 6.709 4.552 1.00 0.55 H new ATOM 0 HD3 PRO A 32 -10.116 8.193 4.465 1.00 0.55 H new ATOM 490 N GLY A 33 -5.286 9.394 6.682 1.00 0.48 N ATOM 491 CA GLY A 33 -4.058 8.959 7.325 1.00 0.50 C ATOM 492 C GLY A 33 -2.881 8.814 6.376 1.00 0.42 C ATOM 493 O GLY A 33 -1.741 9.104 6.734 1.00 0.51 O ATOM 0 H GLY A 33 -5.481 10.382 6.845 1.00 0.48 H new ATOM 0 HA2 GLY A 33 -3.796 9.673 8.106 1.00 0.50 H new ATOM 0 HA3 GLY A 33 -4.236 8.002 7.815 1.00 0.50 H new ATOM 497 N VAL A 34 -3.145 8.314 5.177 1.00 0.39 N ATOM 498 CA VAL A 34 -2.127 8.066 4.187 1.00 0.31 C ATOM 499 C VAL A 34 -1.831 9.354 3.423 1.00 0.34 C ATOM 500 O VAL A 34 -2.750 10.045 2.991 1.00 0.52 O ATOM 501 CB VAL A 34 -2.604 6.954 3.258 1.00 0.34 C ATOM 502 CG1 VAL A 34 -1.420 6.529 2.376 1.00 0.37 C ATOM 503 CG2 VAL A 34 -3.092 5.732 4.045 1.00 0.48 C ATOM 0 H VAL A 34 -4.086 8.069 4.869 1.00 0.39 H new ATOM 0 HA VAL A 34 -1.200 7.744 4.662 1.00 0.31 H new ATOM 0 HB VAL A 34 -3.436 7.329 2.662 1.00 0.34 H new ATOM 0 HG11 VAL A 34 -1.736 5.733 1.701 1.00 0.37 H new ATOM 0 HG12 VAL A 34 -1.075 7.383 1.793 1.00 0.37 H new ATOM 0 HG13 VAL A 34 -0.607 6.169 3.007 1.00 0.37 H new ATOM 0 HG21 VAL A 34 -3.424 4.961 3.350 1.00 0.48 H new ATOM 0 HG22 VAL A 34 -2.277 5.344 4.656 1.00 0.48 H new ATOM 0 HG23 VAL A 34 -3.922 6.022 4.689 1.00 0.48 H new ATOM 513 N THR A 35 -0.546 9.658 3.239 1.00 0.35 N ATOM 514 CA THR A 35 -0.108 10.898 2.622 1.00 0.39 C ATOM 515 C THR A 35 0.563 10.614 1.286 1.00 0.38 C ATOM 516 O THR A 35 0.226 11.251 0.286 1.00 0.47 O ATOM 517 CB THR A 35 0.765 11.654 3.613 1.00 0.56 C ATOM 518 OG1 THR A 35 -0.026 11.883 4.760 1.00 1.37 O ATOM 519 CG2 THR A 35 1.277 12.988 3.072 1.00 0.70 C ATOM 0 H THR A 35 0.220 9.044 3.517 1.00 0.35 H new ATOM 0 HA THR A 35 -0.955 11.543 2.387 1.00 0.39 H new ATOM 0 HB THR A 35 1.651 11.057 3.827 1.00 0.56 H new ATOM 0 HG1 THR A 35 0.546 12.179 5.498 1.00 1.37 H new ATOM 0 HG21 THR A 35 1.892 13.475 3.828 1.00 0.70 H new ATOM 0 HG22 THR A 35 1.873 12.813 2.177 1.00 0.70 H new ATOM 0 HG23 THR A 35 0.431 13.629 2.825 1.00 0.70 H new ATOM 527 N ASP A 36 1.467 9.630 1.233 1.00 0.35 N ATOM 528 CA ASP A 36 2.063 9.181 -0.013 1.00 0.38 C ATOM 529 C ASP A 36 2.182 7.670 -0.020 1.00 0.32 C ATOM 530 O ASP A 36 1.978 7.017 0.999 1.00 0.28 O ATOM 531 CB ASP A 36 3.378 9.914 -0.324 1.00 0.51 C ATOM 532 CG ASP A 36 3.123 10.877 -1.466 1.00 0.73 C ATOM 533 OD1 ASP A 36 2.850 10.386 -2.584 1.00 1.69 O ATOM 534 OD2 ASP A 36 2.907 12.072 -1.192 1.00 1.74 O ATOM 0 H ASP A 36 1.800 9.128 2.056 1.00 0.35 H new ATOM 0 HA ASP A 36 1.401 9.448 -0.837 1.00 0.38 H new ATOM 0 HB2 ASP A 36 3.731 10.452 0.556 1.00 0.51 H new ATOM 0 HB3 ASP A 36 4.156 9.201 -0.595 1.00 0.51 H new ATOM 539 N ALA A 37 2.420 7.119 -1.204 1.00 0.34 N ATOM 540 CA ALA A 37 2.407 5.687 -1.441 1.00 0.32 C ATOM 541 C ALA A 37 3.225 5.391 -2.691 1.00 0.32 C ATOM 542 O ALA A 37 3.187 6.176 -3.641 1.00 0.40 O ATOM 543 CB ALA A 37 0.953 5.217 -1.534 1.00 0.42 C ATOM 0 H ALA A 37 2.631 7.667 -2.038 1.00 0.34 H new ATOM 0 HA ALA A 37 2.867 5.134 -0.622 1.00 0.32 H new ATOM 0 HB1 ALA A 37 0.929 4.142 -1.712 1.00 0.42 H new ATOM 0 HB2 ALA A 37 0.438 5.442 -0.600 1.00 0.42 H new ATOM 0 HB3 ALA A 37 0.456 5.732 -2.356 1.00 0.42 H new ATOM 549 N ASN A 38 4.023 4.322 -2.669 1.00 0.30 N ATOM 550 CA ASN A 38 5.072 4.089 -3.650 1.00 0.31 C ATOM 551 C ASN A 38 5.374 2.595 -3.722 1.00 0.29 C ATOM 552 O ASN A 38 5.928 2.011 -2.791 1.00 0.31 O ATOM 553 CB ASN A 38 6.360 4.905 -3.388 1.00 0.32 C ATOM 554 CG ASN A 38 6.367 5.879 -2.210 1.00 0.34 C ATOM 555 OD1 ASN A 38 6.579 7.073 -2.390 1.00 0.49 O ATOM 556 ND2 ASN A 38 6.184 5.387 -0.991 1.00 0.35 N ATOM 0 H ASN A 38 3.955 3.590 -1.962 1.00 0.30 H new ATOM 0 HA ASN A 38 4.698 4.441 -4.612 1.00 0.31 H new ATOM 0 HB2 ASN A 38 7.178 4.200 -3.242 1.00 0.32 H new ATOM 0 HB3 ASN A 38 6.585 5.472 -4.291 1.00 0.32 H new ATOM 0 HD21 ASN A 38 6.218 6.006 -0.181 1.00 0.35 H new ATOM 0 HD22 ASN A 38 6.009 4.390 -0.864 1.00 0.35 H new ATOM 563 N VAL A 39 5.032 1.978 -4.854 1.00 0.30 N ATOM 564 CA VAL A 39 5.194 0.553 -5.056 1.00 0.29 C ATOM 565 C VAL A 39 6.607 0.254 -5.577 1.00 0.29 C ATOM 566 O VAL A 39 6.910 0.459 -6.750 1.00 0.55 O ATOM 567 CB VAL A 39 4.039 0.045 -5.939 1.00 0.34 C ATOM 568 CG1 VAL A 39 4.161 0.365 -7.436 1.00 0.55 C ATOM 569 CG2 VAL A 39 3.788 -1.446 -5.707 1.00 0.46 C ATOM 0 H VAL A 39 4.633 2.464 -5.657 1.00 0.30 H new ATOM 0 HA VAL A 39 5.123 -0.002 -4.121 1.00 0.29 H new ATOM 0 HB VAL A 39 3.169 0.615 -5.613 1.00 0.34 H new ATOM 0 HG11 VAL A 39 3.297 -0.037 -7.966 1.00 0.55 H new ATOM 0 HG12 VAL A 39 4.202 1.445 -7.575 1.00 0.55 H new ATOM 0 HG13 VAL A 39 5.071 -0.086 -7.831 1.00 0.55 H new ATOM 0 HG21 VAL A 39 2.968 -1.780 -6.342 1.00 0.46 H new ATOM 0 HG22 VAL A 39 4.689 -2.009 -5.951 1.00 0.46 H new ATOM 0 HG23 VAL A 39 3.528 -1.613 -4.662 1.00 0.46 H new ATOM 579 N ASN A 40 7.505 -0.229 -4.716 1.00 0.27 N ATOM 580 CA ASN A 40 8.879 -0.531 -5.103 1.00 0.28 C ATOM 581 C ASN A 40 8.948 -1.954 -5.670 1.00 0.25 C ATOM 582 O ASN A 40 9.708 -2.814 -5.213 1.00 0.25 O ATOM 583 CB ASN A 40 9.799 -0.316 -3.897 1.00 0.32 C ATOM 584 CG ASN A 40 11.272 -0.380 -4.285 1.00 0.38 C ATOM 585 OD1 ASN A 40 11.620 -0.532 -5.453 1.00 0.53 O ATOM 586 ND2 ASN A 40 12.160 -0.242 -3.305 1.00 0.58 N ATOM 0 H ASN A 40 7.299 -0.420 -3.736 1.00 0.27 H new ATOM 0 HA ASN A 40 9.221 0.140 -5.891 1.00 0.28 H new ATOM 0 HB2 ASN A 40 9.585 0.653 -3.445 1.00 0.32 H new ATOM 0 HB3 ASN A 40 9.590 -1.073 -3.142 1.00 0.32 H new ATOM 0 HD21 ASN A 40 13.158 -0.261 -3.515 1.00 0.58 H new ATOM 0 HD22 ASN A 40 11.843 -0.117 -2.344 1.00 0.58 H new ATOM 593 N LEU A 41 8.143 -2.187 -6.709 1.00 0.27 N ATOM 594 CA LEU A 41 7.999 -3.493 -7.341 1.00 0.30 C ATOM 595 C LEU A 41 9.269 -3.879 -8.092 1.00 0.36 C ATOM 596 O LEU A 41 9.521 -5.061 -8.298 1.00 0.43 O ATOM 597 CB LEU A 41 6.749 -3.521 -8.236 1.00 0.37 C ATOM 598 CG LEU A 41 5.651 -4.475 -7.740 1.00 0.40 C ATOM 599 CD1 LEU A 41 5.935 -5.928 -8.127 1.00 0.74 C ATOM 600 CD2 LEU A 41 5.410 -4.397 -6.228 1.00 0.88 C ATOM 0 H LEU A 41 7.567 -1.462 -7.138 1.00 0.27 H new ATOM 0 HA LEU A 41 7.856 -4.247 -6.567 1.00 0.30 H new ATOM 0 HB2 LEU A 41 6.339 -2.513 -8.302 1.00 0.37 H new ATOM 0 HB3 LEU A 41 7.042 -3.813 -9.244 1.00 0.37 H new ATOM 0 HG LEU A 41 4.744 -4.136 -8.241 1.00 0.40 H new ATOM 0 HD11 LEU A 41 5.133 -6.567 -7.756 1.00 0.74 H new ATOM 0 HD12 LEU A 41 5.992 -6.011 -9.212 1.00 0.74 H new ATOM 0 HD13 LEU A 41 6.882 -6.243 -7.689 1.00 0.74 H new ATOM 0 HD21 LEU A 41 4.622 -5.097 -5.949 1.00 0.88 H new ATOM 0 HD22 LEU A 41 6.328 -4.654 -5.700 1.00 0.88 H new ATOM 0 HD23 LEU A 41 5.108 -3.385 -5.959 1.00 0.88 H new ATOM 612 N ALA A 42 10.109 -2.892 -8.418 1.00 0.37 N ATOM 613 CA ALA A 42 11.472 -3.112 -8.882 1.00 0.44 C ATOM 614 C ALA A 42 12.208 -4.151 -8.033 1.00 0.45 C ATOM 615 O ALA A 42 12.991 -4.924 -8.579 1.00 0.57 O ATOM 616 CB ALA A 42 12.247 -1.797 -8.847 1.00 0.47 C ATOM 0 H ALA A 42 9.853 -1.906 -8.364 1.00 0.37 H new ATOM 0 HA ALA A 42 11.412 -3.491 -9.902 1.00 0.44 H new ATOM 0 HB1 ALA A 42 13.266 -1.966 -9.195 1.00 0.47 H new ATOM 0 HB2 ALA A 42 11.758 -1.069 -9.495 1.00 0.47 H new ATOM 0 HB3 ALA A 42 12.271 -1.416 -7.826 1.00 0.47 H new ATOM 622 N THR A 43 11.969 -4.166 -6.713 1.00 0.40 N ATOM 623 CA THR A 43 12.495 -5.204 -5.833 1.00 0.51 C ATOM 624 C THR A 43 11.361 -5.904 -5.070 1.00 0.63 C ATOM 625 O THR A 43 11.572 -6.396 -3.964 1.00 1.23 O ATOM 626 CB THR A 43 13.601 -4.635 -4.928 1.00 0.56 C ATOM 627 OG1 THR A 43 14.184 -5.661 -4.154 1.00 0.73 O ATOM 628 CG2 THR A 43 13.103 -3.534 -3.990 1.00 0.57 C ATOM 0 H THR A 43 11.409 -3.461 -6.234 1.00 0.40 H new ATOM 0 HA THR A 43 12.968 -5.982 -6.433 1.00 0.51 H new ATOM 0 HB THR A 43 14.339 -4.194 -5.598 1.00 0.56 H new ATOM 0 HG1 THR A 43 13.486 -6.279 -3.851 1.00 0.73 H new ATOM 0 HG21 THR A 43 13.931 -3.175 -3.379 1.00 0.57 H new ATOM 0 HG22 THR A 43 12.702 -2.709 -4.578 1.00 0.57 H new ATOM 0 HG23 THR A 43 12.321 -3.933 -3.344 1.00 0.57 H new ATOM 636 N GLU A 44 10.176 -5.975 -5.683 1.00 0.32 N ATOM 637 CA GLU A 44 9.020 -6.720 -5.200 1.00 0.36 C ATOM 638 C GLU A 44 8.479 -6.239 -3.842 1.00 0.46 C ATOM 639 O GLU A 44 7.837 -7.011 -3.131 1.00 0.83 O ATOM 640 CB GLU A 44 9.324 -8.231 -5.262 1.00 0.41 C ATOM 641 CG GLU A 44 8.188 -9.004 -5.949 1.00 1.23 C ATOM 642 CD GLU A 44 8.535 -10.473 -6.169 1.00 1.67 C ATOM 643 OE1 GLU A 44 9.672 -10.729 -6.619 1.00 2.49 O ATOM 644 OE2 GLU A 44 7.644 -11.308 -5.908 1.00 2.51 O ATOM 0 H GLU A 44 9.993 -5.494 -6.564 1.00 0.32 H new ATOM 0 HA GLU A 44 8.184 -6.516 -5.869 1.00 0.36 H new ATOM 0 HB2 GLU A 44 10.256 -8.394 -5.803 1.00 0.41 H new ATOM 0 HB3 GLU A 44 9.470 -8.616 -4.253 1.00 0.41 H new ATOM 0 HG2 GLU A 44 7.285 -8.934 -5.342 1.00 1.23 H new ATOM 0 HG3 GLU A 44 7.964 -8.539 -6.909 1.00 1.23 H new ATOM 651 N THR A 45 8.682 -4.962 -3.498 1.00 0.26 N ATOM 652 CA THR A 45 8.326 -4.381 -2.209 1.00 0.25 C ATOM 653 C THR A 45 7.331 -3.229 -2.422 1.00 0.20 C ATOM 654 O THR A 45 7.197 -2.720 -3.531 1.00 0.25 O ATOM 655 CB THR A 45 9.646 -3.926 -1.562 1.00 0.33 C ATOM 656 OG1 THR A 45 10.509 -5.034 -1.418 1.00 0.73 O ATOM 657 CG2 THR A 45 9.494 -3.272 -0.191 1.00 0.48 C ATOM 0 H THR A 45 9.112 -4.288 -4.132 1.00 0.26 H new ATOM 0 HA THR A 45 7.827 -5.090 -1.548 1.00 0.25 H new ATOM 0 HB THR A 45 10.048 -3.169 -2.235 1.00 0.33 H new ATOM 0 HG1 THR A 45 10.016 -5.784 -1.024 1.00 0.73 H new ATOM 0 HG21 THR A 45 10.476 -2.985 0.186 1.00 0.48 H new ATOM 0 HG22 THR A 45 8.865 -2.386 -0.278 1.00 0.48 H new ATOM 0 HG23 THR A 45 9.033 -3.978 0.500 1.00 0.48 H new ATOM 665 N VAL A 46 6.628 -2.797 -1.372 1.00 0.19 N ATOM 666 CA VAL A 46 5.782 -1.610 -1.382 1.00 0.18 C ATOM 667 C VAL A 46 6.134 -0.744 -0.176 1.00 0.17 C ATOM 668 O VAL A 46 6.447 -1.286 0.885 1.00 0.18 O ATOM 669 CB VAL A 46 4.297 -2.009 -1.424 1.00 0.21 C ATOM 670 CG1 VAL A 46 3.882 -2.961 -0.297 1.00 0.29 C ATOM 671 CG2 VAL A 46 3.391 -0.779 -1.390 1.00 0.33 C ATOM 0 H VAL A 46 6.634 -3.277 -0.472 1.00 0.19 H new ATOM 0 HA VAL A 46 5.962 -1.019 -2.280 1.00 0.18 H new ATOM 0 HB VAL A 46 4.175 -2.541 -2.367 1.00 0.21 H new ATOM 0 HG11 VAL A 46 2.822 -3.198 -0.392 1.00 0.29 H new ATOM 0 HG12 VAL A 46 4.466 -3.879 -0.363 1.00 0.29 H new ATOM 0 HG13 VAL A 46 4.062 -2.484 0.667 1.00 0.29 H new ATOM 0 HG21 VAL A 46 2.348 -1.094 -1.421 1.00 0.33 H new ATOM 0 HG22 VAL A 46 3.573 -0.218 -0.473 1.00 0.33 H new ATOM 0 HG23 VAL A 46 3.604 -0.146 -2.251 1.00 0.33 H new ATOM 681 N ASN A 47 6.110 0.585 -0.344 1.00 0.19 N ATOM 682 CA ASN A 47 6.368 1.546 0.715 1.00 0.21 C ATOM 683 C ASN A 47 5.197 2.509 0.775 1.00 0.22 C ATOM 684 O ASN A 47 4.848 3.082 -0.253 1.00 0.36 O ATOM 685 CB ASN A 47 7.648 2.340 0.430 1.00 0.22 C ATOM 686 CG ASN A 47 8.910 1.600 0.848 1.00 0.25 C ATOM 687 OD1 ASN A 47 9.725 1.214 0.015 1.00 0.31 O ATOM 688 ND2 ASN A 47 9.100 1.433 2.154 1.00 0.25 N ATOM 0 H ASN A 47 5.905 1.022 -1.242 1.00 0.19 H new ATOM 0 HA ASN A 47 6.491 1.016 1.659 1.00 0.21 H new ATOM 0 HB2 ASN A 47 7.701 2.564 -0.635 1.00 0.22 H new ATOM 0 HB3 ASN A 47 7.602 3.294 0.955 1.00 0.22 H new ATOM 0 HD21 ASN A 47 9.945 0.971 2.492 1.00 0.25 H new ATOM 0 HD22 ASN A 47 8.401 1.767 2.818 1.00 0.25 H new ATOM 695 N VAL A 48 4.627 2.734 1.962 1.00 0.21 N ATOM 696 CA VAL A 48 3.449 3.561 2.133 1.00 0.22 C ATOM 697 C VAL A 48 3.788 4.569 3.223 1.00 0.22 C ATOM 698 O VAL A 48 4.336 4.198 4.265 1.00 0.23 O ATOM 699 CB VAL A 48 2.207 2.697 2.410 1.00 0.27 C ATOM 700 CG1 VAL A 48 2.383 1.768 3.616 1.00 1.80 C ATOM 701 CG2 VAL A 48 0.955 3.571 2.553 1.00 1.58 C ATOM 0 H VAL A 48 4.980 2.340 2.834 1.00 0.21 H new ATOM 0 HA VAL A 48 3.184 4.108 1.228 1.00 0.22 H new ATOM 0 HB VAL A 48 2.076 2.047 1.545 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.474 1.184 3.761 1.00 1.80 H new ATOM 0 HG12 VAL A 48 3.222 1.095 3.438 1.00 1.80 H new ATOM 0 HG13 VAL A 48 2.579 2.363 4.508 1.00 1.80 H new ATOM 0 HG21 VAL A 48 0.090 2.938 2.748 1.00 1.58 H new ATOM 0 HG22 VAL A 48 1.090 4.267 3.381 1.00 1.58 H new ATOM 0 HG23 VAL A 48 0.795 4.130 1.631 1.00 1.58 H new ATOM 711 N ILE A 49 3.548 5.844 2.918 1.00 0.23 N ATOM 712 CA ILE A 49 3.939 6.981 3.722 1.00 0.24 C ATOM 713 C ILE A 49 2.677 7.502 4.410 1.00 0.25 C ATOM 714 O ILE A 49 1.863 8.190 3.780 1.00 0.33 O ATOM 715 CB ILE A 49 4.580 8.076 2.843 1.00 0.29 C ATOM 716 CG1 ILE A 49 5.536 7.546 1.759 1.00 0.43 C ATOM 717 CG2 ILE A 49 5.264 9.124 3.732 1.00 0.33 C ATOM 718 CD1 ILE A 49 6.598 6.587 2.293 1.00 0.38 C ATOM 0 H ILE A 49 3.055 6.114 2.067 1.00 0.23 H new ATOM 0 HA ILE A 49 4.685 6.692 4.462 1.00 0.24 H new ATOM 0 HB ILE A 49 3.765 8.540 2.287 1.00 0.29 H new ATOM 0 HG12 ILE A 49 4.954 7.038 0.990 1.00 0.43 H new ATOM 0 HG13 ILE A 49 6.030 8.390 1.278 1.00 0.43 H new ATOM 0 HG21 ILE A 49 5.715 9.894 3.106 1.00 0.33 H new ATOM 0 HG22 ILE A 49 4.525 9.579 4.392 1.00 0.33 H new ATOM 0 HG23 ILE A 49 6.038 8.644 4.330 1.00 0.33 H new ATOM 0 HD11 ILE A 49 7.234 6.255 1.473 1.00 0.38 H new ATOM 0 HD12 ILE A 49 7.206 7.097 3.040 1.00 0.38 H new ATOM 0 HD13 ILE A 49 6.113 5.723 2.748 1.00 0.38 H new ATOM 730 N TYR A 50 2.485 7.163 5.686 1.00 0.24 N ATOM 731 CA TYR A 50 1.247 7.479 6.388 1.00 0.25 C ATOM 732 C TYR A 50 1.513 7.960 7.801 1.00 0.24 C ATOM 733 O TYR A 50 2.611 7.782 8.324 1.00 0.31 O ATOM 734 CB TYR A 50 0.295 6.281 6.390 1.00 0.26 C ATOM 735 CG TYR A 50 0.737 5.057 7.172 1.00 0.27 C ATOM 736 CD1 TYR A 50 0.420 4.943 8.536 1.00 1.68 C ATOM 737 CD2 TYR A 50 1.319 3.964 6.507 1.00 1.47 C ATOM 738 CE1 TYR A 50 0.681 3.751 9.230 1.00 1.71 C ATOM 739 CE2 TYR A 50 1.487 2.738 7.176 1.00 1.47 C ATOM 740 CZ TYR A 50 1.166 2.631 8.538 1.00 0.41 C ATOM 741 OH TYR A 50 1.305 1.440 9.189 1.00 0.54 O ATOM 0 H TYR A 50 3.174 6.669 6.252 1.00 0.24 H new ATOM 0 HA TYR A 50 0.766 8.295 5.848 1.00 0.25 H new ATOM 0 HB2 TYR A 50 -0.665 6.610 6.788 1.00 0.26 H new ATOM 0 HB3 TYR A 50 0.125 5.980 5.356 1.00 0.26 H new ATOM 0 HD1 TYR A 50 -0.028 5.778 9.054 1.00 1.68 H new ATOM 0 HD2 TYR A 50 1.638 4.066 5.480 1.00 1.47 H new ATOM 0 HE1 TYR A 50 0.509 3.696 10.295 1.00 1.71 H new ATOM 0 HE2 TYR A 50 1.863 1.879 6.641 1.00 1.47 H new ATOM 0 HH TYR A 50 1.651 0.766 8.568 1.00 0.54 H new ATOM 751 N ASP A 51 0.481 8.556 8.398 1.00 0.25 N ATOM 752 CA ASP A 51 0.489 8.999 9.786 1.00 0.28 C ATOM 753 C ASP A 51 0.082 7.825 10.683 1.00 0.28 C ATOM 754 O ASP A 51 -1.091 7.435 10.665 1.00 0.33 O ATOM 755 CB ASP A 51 -0.465 10.183 9.976 1.00 0.38 C ATOM 756 CG ASP A 51 -0.620 10.572 11.443 1.00 1.83 C ATOM 757 OD1 ASP A 51 0.101 9.998 12.289 1.00 2.97 O ATOM 758 OD2 ASP A 51 -1.477 11.433 11.715 1.00 2.52 O ATOM 0 H ASP A 51 -0.399 8.747 7.919 1.00 0.25 H new ATOM 0 HA ASP A 51 1.490 9.332 10.059 1.00 0.28 H new ATOM 0 HB2 ASP A 51 -0.094 11.039 9.413 1.00 0.38 H new ATOM 0 HB3 ASP A 51 -1.442 9.929 9.565 1.00 0.38 H new ATOM 763 N PRO A 52 1.002 7.265 11.492 1.00 0.34 N ATOM 764 CA PRO A 52 0.707 6.134 12.353 1.00 0.39 C ATOM 765 C PRO A 52 -0.190 6.500 13.543 1.00 0.46 C ATOM 766 O PRO A 52 -0.434 5.640 14.388 1.00 0.55 O ATOM 767 CB PRO A 52 2.069 5.605 12.802 1.00 0.50 C ATOM 768 CG PRO A 52 2.902 6.880 12.869 1.00 0.54 C ATOM 769 CD PRO A 52 2.387 7.681 11.673 1.00 0.43 C ATOM 0 HA PRO A 52 0.133 5.378 11.817 1.00 0.39 H new ATOM 0 HB2 PRO A 52 2.013 5.104 13.768 1.00 0.50 H new ATOM 0 HB3 PRO A 52 2.481 4.886 12.093 1.00 0.50 H new ATOM 0 HG2 PRO A 52 2.752 7.413 13.808 1.00 0.54 H new ATOM 0 HG3 PRO A 52 3.969 6.672 12.788 1.00 0.54 H new ATOM 0 HD2 PRO A 52 2.453 8.753 11.861 1.00 0.43 H new ATOM 0 HD3 PRO A 52 2.978 7.477 10.780 1.00 0.43 H new ATOM 777 N ALA A 53 -0.679 7.743 13.642 1.00 0.50 N ATOM 778 CA ALA A 53 -1.713 8.110 14.588 1.00 0.61 C ATOM 779 C ALA A 53 -3.083 7.901 13.948 1.00 0.56 C ATOM 780 O ALA A 53 -4.053 7.682 14.672 1.00 0.70 O ATOM 781 CB ALA A 53 -1.537 9.574 14.992 1.00 0.72 C ATOM 0 H ALA A 53 -0.360 8.518 13.061 1.00 0.50 H new ATOM 0 HA ALA A 53 -1.637 7.485 15.478 1.00 0.61 H new ATOM 0 HB1 ALA A 53 -2.315 9.851 15.704 1.00 0.72 H new ATOM 0 HB2 ALA A 53 -0.558 9.709 15.453 1.00 0.72 H new ATOM 0 HB3 ALA A 53 -1.612 10.207 14.108 1.00 0.72 H new ATOM 787 N GLU A 54 -3.168 7.993 12.611 1.00 0.44 N ATOM 788 CA GLU A 54 -4.434 7.990 11.896 1.00 0.46 C ATOM 789 C GLU A 54 -4.643 6.626 11.227 1.00 0.41 C ATOM 790 O GLU A 54 -5.675 5.987 11.421 1.00 0.59 O ATOM 791 CB GLU A 54 -4.511 9.168 10.905 1.00 0.52 C ATOM 792 CG GLU A 54 -5.834 9.942 11.024 1.00 0.63 C ATOM 793 CD GLU A 54 -5.983 11.041 9.970 1.00 1.73 C ATOM 794 OE1 GLU A 54 -6.211 10.688 8.790 1.00 2.88 O ATOM 795 OE2 GLU A 54 -5.896 12.223 10.361 1.00 2.74 O ATOM 0 H GLU A 54 -2.353 8.071 12.003 1.00 0.44 H new ATOM 0 HA GLU A 54 -5.254 8.137 12.599 1.00 0.46 H new ATOM 0 HB2 GLU A 54 -3.677 9.847 11.085 1.00 0.52 H new ATOM 0 HB3 GLU A 54 -4.402 8.792 9.888 1.00 0.52 H new ATOM 0 HG2 GLU A 54 -6.666 9.244 10.932 1.00 0.63 H new ATOM 0 HG3 GLU A 54 -5.899 10.388 12.017 1.00 0.63 H new ATOM 802 N THR A 55 -3.642 6.166 10.468 1.00 0.32 N ATOM 803 CA THR A 55 -3.480 4.766 10.093 1.00 0.34 C ATOM 804 C THR A 55 -2.494 4.040 10.991 1.00 0.34 C ATOM 805 O THR A 55 -2.039 4.561 12.002 1.00 0.38 O ATOM 806 CB THR A 55 -3.284 4.561 8.576 1.00 0.41 C ATOM 807 OG1 THR A 55 -2.562 5.631 8.030 1.00 0.51 O ATOM 808 CG2 THR A 55 -4.650 4.528 7.907 1.00 0.40 C ATOM 0 H THR A 55 -2.911 6.771 10.093 1.00 0.32 H new ATOM 0 HA THR A 55 -4.430 4.268 10.285 1.00 0.34 H new ATOM 0 HB THR A 55 -2.741 3.630 8.412 1.00 0.41 H new ATOM 0 HG1 THR A 55 -1.616 5.543 8.269 1.00 0.51 H new ATOM 0 HG21 THR A 55 -4.526 4.384 6.834 1.00 0.40 H new ATOM 0 HG22 THR A 55 -5.237 3.707 8.318 1.00 0.40 H new ATOM 0 HG23 THR A 55 -5.167 5.470 8.089 1.00 0.40 H new ATOM 816 N GLY A 56 -2.269 2.772 10.660 1.00 0.51 N ATOM 817 CA GLY A 56 -1.817 1.754 11.574 1.00 0.66 C ATOM 818 C GLY A 56 -2.508 0.483 11.099 1.00 1.17 C ATOM 819 O GLY A 56 -3.583 0.165 11.585 1.00 2.52 O ATOM 0 H GLY A 56 -2.404 2.423 9.711 1.00 0.51 H new ATOM 0 HA2 GLY A 56 -0.732 1.650 11.548 1.00 0.66 H new ATOM 0 HA3 GLY A 56 -2.089 1.994 12.602 1.00 0.66 H new ATOM 823 N THR A 57 -1.839 -0.211 10.172 1.00 0.43 N ATOM 824 CA THR A 57 -2.143 -1.007 8.974 1.00 0.55 C ATOM 825 C THR A 57 -3.580 -1.441 8.691 1.00 0.38 C ATOM 826 O THR A 57 -3.892 -1.738 7.540 1.00 0.39 O ATOM 827 CB THR A 57 -1.277 -2.276 9.052 1.00 0.87 C ATOM 828 OG1 THR A 57 -1.514 -2.936 10.278 1.00 1.04 O ATOM 829 CG2 THR A 57 0.222 -1.974 8.948 1.00 1.14 C ATOM 0 H THR A 57 -0.825 -0.224 10.281 1.00 0.43 H new ATOM 0 HA THR A 57 -1.936 -0.321 8.152 1.00 0.55 H new ATOM 0 HB THR A 57 -1.556 -2.903 8.205 1.00 0.87 H new ATOM 0 HG1 THR A 57 -0.963 -3.745 10.326 1.00 1.04 H new ATOM 0 HG21 THR A 57 0.786 -2.905 9.009 1.00 1.14 H new ATOM 0 HG22 THR A 57 0.430 -1.486 7.996 1.00 1.14 H new ATOM 0 HG23 THR A 57 0.518 -1.316 9.765 1.00 1.14 H new ATOM 837 N ALA A 58 -4.451 -1.410 9.685 1.00 0.42 N ATOM 838 CA ALA A 58 -5.887 -1.510 9.585 1.00 0.44 C ATOM 839 C ALA A 58 -6.460 -1.014 8.263 1.00 0.41 C ATOM 840 O ALA A 58 -7.026 -1.791 7.492 1.00 0.41 O ATOM 841 CB ALA A 58 -6.449 -0.700 10.755 1.00 0.50 C ATOM 0 H ALA A 58 -4.144 -1.306 10.652 1.00 0.42 H new ATOM 0 HA ALA A 58 -6.173 -2.561 9.623 1.00 0.44 H new ATOM 0 HB1 ALA A 58 -7.538 -0.738 10.734 1.00 0.50 H new ATOM 0 HB2 ALA A 58 -6.090 -1.120 11.694 1.00 0.50 H new ATOM 0 HB3 ALA A 58 -6.120 0.336 10.672 1.00 0.50 H new ATOM 847 N ALA A 59 -6.290 0.278 7.988 1.00 0.41 N ATOM 848 CA ALA A 59 -7.027 0.855 6.863 1.00 0.41 C ATOM 849 C ALA A 59 -6.401 0.374 5.558 1.00 0.36 C ATOM 850 O ALA A 59 -7.076 0.096 4.566 1.00 0.34 O ATOM 851 CB ALA A 59 -7.103 2.377 6.957 1.00 0.50 C ATOM 0 H ALA A 59 -5.682 0.918 8.498 1.00 0.41 H new ATOM 0 HA ALA A 59 -8.061 0.511 6.893 1.00 0.41 H new ATOM 0 HB1 ALA A 59 -7.658 2.767 6.104 1.00 0.50 H new ATOM 0 HB2 ALA A 59 -7.610 2.660 7.879 1.00 0.50 H new ATOM 0 HB3 ALA A 59 -6.095 2.792 6.955 1.00 0.50 H new ATOM 857 N ILE A 60 -5.071 0.273 5.589 1.00 0.38 N ATOM 858 CA ILE A 60 -4.274 -0.246 4.504 1.00 0.35 C ATOM 859 C ILE A 60 -4.777 -1.621 4.106 1.00 0.32 C ATOM 860 O ILE A 60 -5.147 -1.782 2.951 1.00 0.36 O ATOM 861 CB ILE A 60 -2.780 -0.176 4.868 1.00 0.34 C ATOM 862 CG1 ILE A 60 -2.239 1.165 4.370 1.00 0.33 C ATOM 863 CG2 ILE A 60 -1.927 -1.282 4.239 1.00 0.35 C ATOM 864 CD1 ILE A 60 -2.768 2.358 5.168 1.00 1.03 C ATOM 0 H ILE A 60 -4.516 0.560 6.395 1.00 0.38 H new ATOM 0 HA ILE A 60 -4.381 0.370 3.611 1.00 0.35 H new ATOM 0 HB ILE A 60 -2.713 -0.298 5.949 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -1.150 1.153 4.424 1.00 0.33 H new ATOM 0 HG13 ILE A 60 -2.505 1.290 3.320 1.00 0.33 H new ATOM 0 HG21 ILE A 60 -0.888 -1.159 4.546 1.00 0.35 H new ATOM 0 HG22 ILE A 60 -2.291 -2.255 4.570 1.00 0.35 H new ATOM 0 HG23 ILE A 60 -1.994 -1.220 3.153 1.00 0.35 H new ATOM 0 HD11 ILE A 60 -2.348 3.280 4.766 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -3.855 2.392 5.094 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -2.479 2.253 6.214 1.00 1.03 H new ATOM 876 N GLN A 61 -4.821 -2.588 5.028 1.00 0.31 N ATOM 877 CA GLN A 61 -5.263 -3.938 4.695 1.00 0.31 C ATOM 878 C GLN A 61 -6.687 -3.886 4.123 1.00 0.31 C ATOM 879 O GLN A 61 -6.947 -4.472 3.073 1.00 0.34 O ATOM 880 CB GLN A 61 -5.181 -4.879 5.906 1.00 0.40 C ATOM 881 CG GLN A 61 -4.215 -6.064 5.724 1.00 0.42 C ATOM 882 CD GLN A 61 -2.818 -5.802 6.281 1.00 0.69 C ATOM 883 OE1 GLN A 61 -2.191 -6.690 6.845 1.00 1.12 O ATOM 884 NE2 GLN A 61 -2.314 -4.580 6.148 1.00 0.93 N ATOM 0 H GLN A 61 -4.557 -2.458 6.005 1.00 0.31 H new ATOM 0 HA GLN A 61 -4.592 -4.345 3.938 1.00 0.31 H new ATOM 0 HB2 GLN A 61 -4.871 -4.303 6.778 1.00 0.40 H new ATOM 0 HB3 GLN A 61 -6.177 -5.267 6.118 1.00 0.40 H new ATOM 0 HG2 GLN A 61 -4.634 -6.943 6.214 1.00 0.42 H new ATOM 0 HG3 GLN A 61 -4.136 -6.299 4.662 1.00 0.42 H new ATOM 0 HE21 GLN A 61 -2.853 -3.855 5.675 1.00 0.93 H new ATOM 0 HE22 GLN A 61 -1.388 -4.367 6.519 1.00 0.93 H new ATOM 893 N GLU A 62 -7.593 -3.165 4.799 1.00 0.30 N ATOM 894 CA GLU A 62 -8.962 -2.962 4.337 1.00 0.33 C ATOM 895 C GLU A 62 -9.016 -2.597 2.849 1.00 0.33 C ATOM 896 O GLU A 62 -9.675 -3.270 2.050 1.00 0.37 O ATOM 897 CB GLU A 62 -9.640 -1.882 5.194 1.00 0.34 C ATOM 898 CG GLU A 62 -10.405 -2.476 6.381 1.00 0.54 C ATOM 899 CD GLU A 62 -11.052 -1.387 7.230 1.00 2.22 C ATOM 900 OE1 GLU A 62 -11.332 -0.309 6.660 1.00 3.06 O ATOM 901 OE2 GLU A 62 -11.265 -1.657 8.431 1.00 3.25 O ATOM 0 H GLU A 62 -7.389 -2.706 5.687 1.00 0.30 H new ATOM 0 HA GLU A 62 -9.503 -3.902 4.450 1.00 0.33 H new ATOM 0 HB2 GLU A 62 -8.885 -1.187 5.562 1.00 0.34 H new ATOM 0 HB3 GLU A 62 -10.327 -1.307 4.573 1.00 0.34 H new ATOM 0 HG2 GLU A 62 -11.173 -3.158 6.016 1.00 0.54 H new ATOM 0 HG3 GLU A 62 -9.724 -3.063 6.997 1.00 0.54 H new ATOM 908 N LYS A 63 -8.334 -1.517 2.467 1.00 0.33 N ATOM 909 CA LYS A 63 -8.328 -1.083 1.092 1.00 0.33 C ATOM 910 C LYS A 63 -7.579 -2.069 0.201 1.00 0.29 C ATOM 911 O LYS A 63 -8.052 -2.344 -0.893 1.00 0.33 O ATOM 912 CB LYS A 63 -7.750 0.327 1.003 1.00 0.39 C ATOM 913 CG LYS A 63 -8.830 1.415 1.093 1.00 0.57 C ATOM 914 CD LYS A 63 -9.838 1.521 -0.064 1.00 0.72 C ATOM 915 CE LYS A 63 -9.211 2.121 -1.331 1.00 2.53 C ATOM 916 NZ LYS A 63 -9.252 3.597 -1.321 1.00 3.53 N ATOM 0 H LYS A 63 -7.783 -0.935 3.098 1.00 0.33 H new ATOM 0 HA LYS A 63 -9.353 -1.055 0.723 1.00 0.33 H new ATOM 0 HB2 LYS A 63 -7.027 0.471 1.806 1.00 0.39 H new ATOM 0 HB3 LYS A 63 -7.208 0.435 0.063 1.00 0.39 H new ATOM 0 HG2 LYS A 63 -9.392 1.254 2.013 1.00 0.57 H new ATOM 0 HG3 LYS A 63 -8.328 2.378 1.190 1.00 0.57 H new ATOM 0 HD2 LYS A 63 -10.233 0.531 -0.291 1.00 0.72 H new ATOM 0 HD3 LYS A 63 -10.682 2.137 0.248 1.00 0.72 H new ATOM 0 HE2 LYS A 63 -8.177 1.787 -1.417 1.00 2.53 H new ATOM 0 HE3 LYS A 63 -9.740 1.749 -2.209 1.00 2.53 H new ATOM 0 HZ1 LYS A 63 -8.441 3.970 -1.855 1.00 3.53 H new ATOM 0 HZ2 LYS A 63 -10.136 3.923 -1.761 1.00 3.53 H new ATOM 0 HZ3 LYS A 63 -9.208 3.939 -0.340 1.00 3.53 H new ATOM 930 N ILE A 64 -6.432 -2.586 0.644 1.00 0.27 N ATOM 931 CA ILE A 64 -5.635 -3.584 -0.063 1.00 0.24 C ATOM 932 C ILE A 64 -6.577 -4.693 -0.574 1.00 0.24 C ATOM 933 O ILE A 64 -6.614 -4.995 -1.768 1.00 0.25 O ATOM 934 CB ILE A 64 -4.529 -4.097 0.884 1.00 0.26 C ATOM 935 CG1 ILE A 64 -3.190 -3.401 0.619 1.00 0.28 C ATOM 936 CG2 ILE A 64 -4.367 -5.617 0.960 1.00 0.40 C ATOM 937 CD1 ILE A 64 -2.488 -3.961 -0.614 1.00 0.43 C ATOM 0 H ILE A 64 -6.020 -2.311 1.536 1.00 0.27 H new ATOM 0 HA ILE A 64 -5.134 -3.165 -0.936 1.00 0.24 H new ATOM 0 HB ILE A 64 -4.884 -3.819 1.876 1.00 0.26 H new ATOM 0 HG12 ILE A 64 -3.357 -2.332 0.487 1.00 0.28 H new ATOM 0 HG13 ILE A 64 -2.543 -3.517 1.488 1.00 0.28 H new ATOM 0 HG21 ILE A 64 -3.563 -5.863 1.654 1.00 0.40 H new ATOM 0 HG22 ILE A 64 -5.297 -6.065 1.309 1.00 0.40 H new ATOM 0 HG23 ILE A 64 -4.125 -6.007 -0.029 1.00 0.40 H new ATOM 0 HD11 ILE A 64 -1.543 -3.438 -0.764 1.00 0.43 H new ATOM 0 HD12 ILE A 64 -2.296 -5.024 -0.472 1.00 0.43 H new ATOM 0 HD13 ILE A 64 -3.123 -3.821 -1.489 1.00 0.43 H new ATOM 949 N GLU A 65 -7.382 -5.244 0.344 1.00 0.26 N ATOM 950 CA GLU A 65 -8.394 -6.249 0.056 1.00 0.30 C ATOM 951 C GLU A 65 -9.414 -5.711 -0.947 1.00 0.31 C ATOM 952 O GLU A 65 -9.593 -6.286 -2.018 1.00 0.35 O ATOM 953 CB GLU A 65 -9.078 -6.674 1.364 1.00 0.34 C ATOM 954 CG GLU A 65 -8.221 -7.667 2.162 1.00 0.40 C ATOM 955 CD GLU A 65 -8.411 -9.116 1.717 1.00 0.64 C ATOM 956 OE1 GLU A 65 -8.941 -9.320 0.604 1.00 1.36 O ATOM 957 OE2 GLU A 65 -8.046 -9.999 2.522 1.00 1.54 O ATOM 0 H GLU A 65 -7.340 -4.991 1.331 1.00 0.26 H new ATOM 0 HA GLU A 65 -7.919 -7.122 -0.392 1.00 0.30 H new ATOM 0 HB2 GLU A 65 -9.275 -5.792 1.974 1.00 0.34 H new ATOM 0 HB3 GLU A 65 -10.043 -7.127 1.138 1.00 0.34 H new ATOM 0 HG2 GLU A 65 -7.170 -7.396 2.058 1.00 0.40 H new ATOM 0 HG3 GLU A 65 -8.469 -7.583 3.220 1.00 0.40 H new ATOM 964 N LYS A 66 -10.090 -4.603 -0.620 1.00 0.33 N ATOM 965 CA LYS A 66 -11.137 -4.048 -1.482 1.00 0.39 C ATOM 966 C LYS A 66 -10.650 -3.762 -2.909 1.00 0.41 C ATOM 967 O LYS A 66 -11.410 -3.904 -3.864 1.00 0.49 O ATOM 968 CB LYS A 66 -11.750 -2.789 -0.844 1.00 0.44 C ATOM 969 CG LYS A 66 -13.133 -3.062 -0.241 1.00 0.55 C ATOM 970 CD LYS A 66 -13.056 -4.000 0.975 1.00 2.16 C ATOM 971 CE LYS A 66 -14.442 -4.503 1.403 1.00 2.71 C ATOM 972 NZ LYS A 66 -15.359 -3.407 1.775 1.00 3.73 N ATOM 0 H LYS A 66 -9.929 -4.073 0.237 1.00 0.33 H new ATOM 0 HA LYS A 66 -11.910 -4.811 -1.571 1.00 0.39 H new ATOM 0 HB2 LYS A 66 -11.083 -2.416 -0.066 1.00 0.44 H new ATOM 0 HB3 LYS A 66 -11.832 -2.005 -1.597 1.00 0.44 H new ATOM 0 HG2 LYS A 66 -13.591 -2.119 0.057 1.00 0.55 H new ATOM 0 HG3 LYS A 66 -13.779 -3.504 -1.000 1.00 0.55 H new ATOM 0 HD2 LYS A 66 -12.419 -4.852 0.736 1.00 2.16 H new ATOM 0 HD3 LYS A 66 -12.588 -3.476 1.808 1.00 2.16 H new ATOM 0 HE2 LYS A 66 -14.882 -5.078 0.588 1.00 2.71 H new ATOM 0 HE3 LYS A 66 -14.332 -5.181 2.249 1.00 2.71 H new ATOM 0 HZ1 LYS A 66 -16.262 -3.806 2.104 1.00 3.73 H new ATOM 0 HZ2 LYS A 66 -14.933 -2.841 2.537 1.00 3.73 H new ATOM 0 HZ3 LYS A 66 -15.529 -2.801 0.947 1.00 3.73 H new ATOM 986 N LEU A 67 -9.393 -3.345 -3.056 1.00 0.37 N ATOM 987 CA LEU A 67 -8.751 -3.078 -4.335 1.00 0.40 C ATOM 988 C LEU A 67 -8.521 -4.367 -5.135 1.00 0.41 C ATOM 989 O LEU A 67 -8.277 -4.298 -6.338 1.00 0.45 O ATOM 990 CB LEU A 67 -7.444 -2.310 -4.097 1.00 0.40 C ATOM 991 CG LEU A 67 -7.702 -0.866 -3.623 1.00 0.46 C ATOM 992 CD1 LEU A 67 -6.466 -0.331 -2.897 1.00 0.48 C ATOM 993 CD2 LEU A 67 -8.028 0.059 -4.803 1.00 0.55 C ATOM 0 H LEU A 67 -8.777 -3.180 -2.260 1.00 0.37 H new ATOM 0 HA LEU A 67 -9.414 -2.460 -4.941 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -6.845 -2.835 -3.352 1.00 0.40 H new ATOM 0 HB3 LEU A 67 -6.862 -2.291 -5.018 1.00 0.40 H new ATOM 0 HG LEU A 67 -8.557 -0.884 -2.948 1.00 0.46 H new ATOM 0 HD11 LEU A 67 -6.653 0.690 -2.564 1.00 0.48 H new ATOM 0 HD12 LEU A 67 -6.250 -0.961 -2.034 1.00 0.48 H new ATOM 0 HD13 LEU A 67 -5.613 -0.341 -3.575 1.00 0.48 H new ATOM 0 HD21 LEU A 67 -8.205 1.070 -4.435 1.00 0.55 H new ATOM 0 HD22 LEU A 67 -7.190 0.068 -5.500 1.00 0.55 H new ATOM 0 HD23 LEU A 67 -8.921 -0.303 -5.313 1.00 0.55 H new ATOM 1005 N GLY A 68 -8.579 -5.530 -4.481 1.00 0.40 N ATOM 1006 CA GLY A 68 -8.409 -6.835 -5.096 1.00 0.41 C ATOM 1007 C GLY A 68 -6.949 -7.261 -5.026 1.00 0.36 C ATOM 1008 O GLY A 68 -6.406 -7.763 -6.009 1.00 0.35 O ATOM 0 H GLY A 68 -8.751 -5.583 -3.477 1.00 0.40 H new ATOM 0 HA2 GLY A 68 -9.035 -7.569 -4.588 1.00 0.41 H new ATOM 0 HA3 GLY A 68 -8.737 -6.801 -6.135 1.00 0.41 H new ATOM 1012 N TYR A 69 -6.310 -7.052 -3.872 1.00 0.38 N ATOM 1013 CA TYR A 69 -4.899 -7.328 -3.658 1.00 0.34 C ATOM 1014 C TYR A 69 -4.685 -7.900 -2.260 1.00 0.31 C ATOM 1015 O TYR A 69 -5.596 -7.889 -1.437 1.00 0.32 O ATOM 1016 CB TYR A 69 -4.110 -6.028 -3.837 1.00 0.36 C ATOM 1017 CG TYR A 69 -3.245 -6.066 -5.069 1.00 0.38 C ATOM 1018 CD1 TYR A 69 -3.811 -5.829 -6.332 1.00 1.95 C ATOM 1019 CD2 TYR A 69 -1.888 -6.407 -4.961 1.00 1.75 C ATOM 1020 CE1 TYR A 69 -2.992 -5.794 -7.468 1.00 1.97 C ATOM 1021 CE2 TYR A 69 -1.071 -6.368 -6.098 1.00 1.74 C ATOM 1022 CZ TYR A 69 -1.619 -6.065 -7.356 1.00 0.49 C ATOM 1023 OH TYR A 69 -0.810 -5.930 -8.446 1.00 0.57 O ATOM 0 H TYR A 69 -6.776 -6.677 -3.045 1.00 0.38 H new ATOM 0 HA TYR A 69 -4.549 -8.064 -4.382 1.00 0.34 H new ATOM 0 HB2 TYR A 69 -4.802 -5.189 -3.904 1.00 0.36 H new ATOM 0 HB3 TYR A 69 -3.486 -5.857 -2.960 1.00 0.36 H new ATOM 0 HD1 TYR A 69 -4.876 -5.674 -6.427 1.00 1.95 H new ATOM 0 HD2 TYR A 69 -1.476 -6.698 -4.006 1.00 1.75 H new ATOM 0 HE1 TYR A 69 -3.418 -5.558 -8.432 1.00 1.97 H new ATOM 0 HE2 TYR A 69 -0.014 -6.572 -6.007 1.00 1.74 H new ATOM 0 HH TYR A 69 0.127 -5.917 -8.159 1.00 0.57 H new ATOM 1033 N HIS A 70 -3.463 -8.365 -1.983 1.00 0.32 N ATOM 1034 CA HIS A 70 -3.054 -8.799 -0.658 1.00 0.32 C ATOM 1035 C HIS A 70 -1.592 -8.397 -0.464 1.00 0.31 C ATOM 1036 O HIS A 70 -0.749 -8.708 -1.306 1.00 0.53 O ATOM 1037 CB HIS A 70 -3.266 -10.311 -0.511 1.00 0.42 C ATOM 1038 CG HIS A 70 -3.304 -10.790 0.921 1.00 0.61 C ATOM 1039 ND1 HIS A 70 -2.398 -10.502 1.919 1.00 1.72 N ATOM 1040 CD2 HIS A 70 -4.266 -11.599 1.470 1.00 1.62 C ATOM 1041 CE1 HIS A 70 -2.806 -11.125 3.035 1.00 1.48 C ATOM 1042 NE2 HIS A 70 -3.933 -11.815 2.810 1.00 1.27 N ATOM 0 H HIS A 70 -2.728 -8.449 -2.685 1.00 0.32 H new ATOM 0 HA HIS A 70 -3.656 -8.323 0.116 1.00 0.32 H new ATOM 0 HB2 HIS A 70 -4.201 -10.586 -1.000 1.00 0.42 H new ATOM 0 HB3 HIS A 70 -2.466 -10.832 -1.037 1.00 0.42 H new ATOM 0 HD1 HIS A 70 -1.566 -9.919 1.826 1.00 1.72 H new ATOM 0 HD2 HIS A 70 -5.129 -11.999 0.957 1.00 1.62 H new ATOM 0 HE1 HIS A 70 -2.296 -11.077 3.986 1.00 1.48 H new ATOM 1050 N VAL A 71 -1.303 -7.697 0.635 1.00 0.38 N ATOM 1051 CA VAL A 71 0.047 -7.328 1.041 1.00 0.39 C ATOM 1052 C VAL A 71 0.530 -8.351 2.075 1.00 0.44 C ATOM 1053 O VAL A 71 -0.295 -8.948 2.764 1.00 0.54 O ATOM 1054 CB VAL A 71 0.038 -5.879 1.565 1.00 0.50 C ATOM 1055 CG1 VAL A 71 -0.572 -5.735 2.967 1.00 1.44 C ATOM 1056 CG2 VAL A 71 1.439 -5.274 1.541 1.00 1.29 C ATOM 0 H VAL A 71 -2.021 -7.365 1.280 1.00 0.38 H new ATOM 0 HA VAL A 71 0.747 -7.350 0.206 1.00 0.39 H new ATOM 0 HB VAL A 71 -0.608 -5.327 0.882 1.00 0.50 H new ATOM 0 HG11 VAL A 71 -0.544 -4.688 3.270 1.00 1.44 H new ATOM 0 HG12 VAL A 71 -1.605 -6.081 2.951 1.00 1.44 H new ATOM 0 HG13 VAL A 71 0.000 -6.333 3.676 1.00 1.44 H new ATOM 0 HG21 VAL A 71 1.400 -4.251 1.916 1.00 1.29 H new ATOM 0 HG22 VAL A 71 2.102 -5.867 2.171 1.00 1.29 H new ATOM 0 HG23 VAL A 71 1.817 -5.271 0.518 1.00 1.29 H new ATOM 1066 N VAL A 72 1.838 -8.582 2.164 1.00 0.43 N ATOM 1067 CA VAL A 72 2.462 -9.525 3.079 1.00 0.47 C ATOM 1068 C VAL A 72 3.422 -8.754 3.984 1.00 0.50 C ATOM 1069 O VAL A 72 4.105 -7.831 3.541 1.00 0.48 O ATOM 1070 CB VAL A 72 3.167 -10.642 2.310 1.00 0.49 C ATOM 1071 CG1 VAL A 72 3.712 -11.712 3.264 1.00 0.57 C ATOM 1072 CG2 VAL A 72 2.224 -11.314 1.301 1.00 0.56 C ATOM 0 H VAL A 72 2.516 -8.097 1.576 1.00 0.43 H new ATOM 0 HA VAL A 72 1.706 -10.008 3.697 1.00 0.47 H new ATOM 0 HB VAL A 72 3.994 -10.178 1.772 1.00 0.49 H new ATOM 0 HG11 VAL A 72 4.208 -12.494 2.689 1.00 0.57 H new ATOM 0 HG12 VAL A 72 4.426 -11.258 3.950 1.00 0.57 H new ATOM 0 HG13 VAL A 72 2.889 -12.146 3.832 1.00 0.57 H new ATOM 0 HG21 VAL A 72 2.759 -12.103 0.773 1.00 0.56 H new ATOM 0 HG22 VAL A 72 1.373 -11.744 1.829 1.00 0.56 H new ATOM 0 HG23 VAL A 72 1.870 -10.573 0.584 1.00 0.56 H new ATOM 1082 N ILE A 73 3.448 -9.113 5.265 1.00 0.59 N ATOM 1083 CA ILE A 73 4.136 -8.353 6.304 1.00 0.73 C ATOM 1084 C ILE A 73 5.459 -9.035 6.652 1.00 0.89 C ATOM 1085 O ILE A 73 5.688 -9.484 7.774 1.00 1.11 O ATOM 1086 CB ILE A 73 3.228 -8.120 7.520 1.00 0.72 C ATOM 1087 CG1 ILE A 73 1.832 -7.607 7.119 1.00 0.88 C ATOM 1088 CG2 ILE A 73 3.908 -7.116 8.463 1.00 0.92 C ATOM 1089 CD1 ILE A 73 1.822 -6.295 6.326 1.00 0.99 C ATOM 0 H ILE A 73 2.985 -9.952 5.615 1.00 0.59 H new ATOM 0 HA ILE A 73 4.377 -7.358 5.928 1.00 0.73 H new ATOM 0 HB ILE A 73 3.082 -9.076 8.022 1.00 0.72 H new ATOM 0 HG12 ILE A 73 1.337 -8.375 6.526 1.00 0.88 H new ATOM 0 HG13 ILE A 73 1.239 -7.471 8.023 1.00 0.88 H new ATOM 0 HG21 ILE A 73 3.271 -6.943 9.331 1.00 0.92 H new ATOM 0 HG22 ILE A 73 4.867 -7.517 8.791 1.00 0.92 H new ATOM 0 HG23 ILE A 73 4.069 -6.175 7.938 1.00 0.92 H new ATOM 0 HD11 ILE A 73 0.794 -6.019 6.092 1.00 0.99 H new ATOM 0 HD12 ILE A 73 2.283 -5.507 6.921 1.00 0.99 H new ATOM 0 HD13 ILE A 73 2.382 -6.425 5.400 1.00 0.99 H new