USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 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 16 THR OG1 : rot 180:sc= 0.0365 USER MOD Set 1.2: A 17 CYS SG : rot -14:sc= -0.176 USER MOD Set 1.3: A 20 CYS SG : rot -15:sc= 1.31 USER MOD Set 1.4: A 69 TYR OH : rot -12:sc= 0.872 USER MOD Single : A 3 SER OG : rot 12:sc= 0.391 USER MOD Single : A 5 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.2!) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0.921 (180deg=0.766) USER MOD Single : A 10 MET CE :methyl -165:sc= 0 (180deg=-0.283) USER MOD Single : A 11 GLN : amide:sc= -0.937 X(o=-0.94,f=-0.45) USER MOD Single : A 13 SER OG : rot -160:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 2.33 (180deg=1.31) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.656 K(o=0.66,f=-0.099) USER MOD Single : A 40 ASN : amide:sc= -0.0712 K(o=-0.071,f=-1.8) USER MOD Single : A 43 THR OG1 : rot -43:sc= 0.885 USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.529 USER MOD Single : A 47 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD Single : A 50 TYR OH : rot 167:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 61 GLN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.827 (180deg=0.811) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.628 K(o=0.63,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 0.338 15.190 13.464 1.00 0.70 N ATOM 40 CA SER A 3 0.322 14.037 12.569 1.00 0.49 C ATOM 41 C SER A 3 1.772 13.689 12.229 1.00 0.53 C ATOM 42 O SER A 3 2.359 14.238 11.297 1.00 0.82 O ATOM 43 CB SER A 3 -0.554 14.242 11.315 1.00 0.54 C ATOM 44 OG SER A 3 -1.586 15.186 11.544 1.00 1.04 O ATOM 0 HA SER A 3 -0.151 13.197 13.078 1.00 0.49 H new ATOM 0 HB2 SER A 3 0.070 14.579 10.487 1.00 0.54 H new ATOM 0 HB3 SER A 3 -0.992 13.289 11.018 1.00 0.54 H new ATOM 0 HG SER A 3 -1.422 15.651 12.391 1.00 1.04 H new ATOM 50 N GLU A 4 2.391 12.823 13.035 1.00 0.55 N ATOM 51 CA GLU A 4 3.692 12.291 12.709 1.00 0.64 C ATOM 52 C GLU A 4 3.500 11.321 11.554 1.00 0.82 C ATOM 53 O GLU A 4 2.422 10.748 11.429 1.00 1.29 O ATOM 54 CB GLU A 4 4.234 11.575 13.929 1.00 0.75 C ATOM 55 CG GLU A 4 4.527 12.511 15.095 1.00 1.13 C ATOM 56 CD GLU A 4 4.168 11.866 16.423 1.00 2.34 C ATOM 57 OE1 GLU A 4 2.965 11.909 16.755 1.00 3.87 O ATOM 58 OE2 GLU A 4 5.097 11.328 17.063 1.00 2.42 O ATOM 0 H GLU A 4 2.003 12.483 13.915 1.00 0.55 H new ATOM 0 HA GLU A 4 4.397 13.072 12.423 1.00 0.64 H new ATOM 0 HB2 GLU A 4 3.515 10.821 14.249 1.00 0.75 H new ATOM 0 HB3 GLU A 4 5.148 11.048 13.656 1.00 0.75 H new ATOM 0 HG2 GLU A 4 5.583 12.779 15.092 1.00 1.13 H new ATOM 0 HG3 GLU A 4 3.963 13.436 14.973 1.00 1.13 H new ATOM 65 N GLN A 5 4.535 11.125 10.741 1.00 0.56 N ATOM 66 CA GLN A 5 4.484 10.272 9.565 1.00 0.52 C ATOM 67 C GLN A 5 5.541 9.187 9.660 1.00 0.44 C ATOM 68 O GLN A 5 6.607 9.427 10.224 1.00 0.48 O ATOM 69 CB GLN A 5 4.697 11.103 8.302 1.00 0.55 C ATOM 70 CG GLN A 5 3.508 12.045 8.056 1.00 0.76 C ATOM 71 CD GLN A 5 2.906 11.859 6.669 1.00 0.44 C ATOM 72 OE1 GLN A 5 2.687 12.827 5.948 1.00 0.99 O ATOM 73 NE2 GLN A 5 2.695 10.605 6.268 1.00 0.41 N ATOM 0 H GLN A 5 5.445 11.563 10.886 1.00 0.56 H new ATOM 0 HA GLN A 5 3.502 9.803 9.515 1.00 0.52 H new ATOM 0 HB2 GLN A 5 5.614 11.685 8.396 1.00 0.55 H new ATOM 0 HB3 GLN A 5 4.825 10.442 7.445 1.00 0.55 H new ATOM 0 HG2 GLN A 5 2.742 11.865 8.810 1.00 0.76 H new ATOM 0 HG3 GLN A 5 3.835 13.078 8.173 1.00 0.76 H new ATOM 0 HE21 GLN A 5 2.890 9.828 6.899 1.00 0.41 H new ATOM 0 HE22 GLN A 5 2.338 10.423 5.330 1.00 0.41 H new ATOM 82 N LYS A 6 5.256 8.015 9.084 1.00 0.37 N ATOM 83 CA LYS A 6 6.245 6.982 8.847 1.00 0.34 C ATOM 84 C LYS A 6 6.030 6.291 7.505 1.00 0.29 C ATOM 85 O LYS A 6 4.950 6.331 6.912 1.00 0.27 O ATOM 86 CB LYS A 6 6.314 5.969 9.998 1.00 0.43 C ATOM 87 CG LYS A 6 6.957 6.591 11.244 1.00 0.89 C ATOM 88 CD LYS A 6 7.679 5.549 12.110 1.00 1.05 C ATOM 89 CE LYS A 6 9.176 5.419 11.765 1.00 2.23 C ATOM 90 NZ LYS A 6 9.443 4.991 10.373 1.00 3.62 N ATOM 0 H LYS A 6 4.319 7.763 8.769 1.00 0.37 H new ATOM 0 HA LYS A 6 7.213 7.480 8.806 1.00 0.34 H new ATOM 0 HB2 LYS A 6 5.310 5.619 10.239 1.00 0.43 H new ATOM 0 HB3 LYS A 6 6.889 5.097 9.685 1.00 0.43 H new ATOM 0 HG2 LYS A 6 7.666 7.360 10.938 1.00 0.89 H new ATOM 0 HG3 LYS A 6 6.188 7.084 11.839 1.00 0.89 H new ATOM 0 HD2 LYS A 6 7.575 5.821 13.160 1.00 1.05 H new ATOM 0 HD3 LYS A 6 7.196 4.580 11.983 1.00 1.05 H new ATOM 0 HE2 LYS A 6 9.662 6.379 11.937 1.00 2.23 H new ATOM 0 HE3 LYS A 6 9.634 4.703 12.448 1.00 2.23 H new ATOM 0 HZ1 LYS A 6 10.468 4.878 10.235 1.00 3.62 H new ATOM 0 HZ2 LYS A 6 8.967 4.084 10.191 1.00 3.62 H new ATOM 0 HZ3 LYS A 6 9.082 5.710 9.714 1.00 3.62 H new ATOM 104 N GLU A 7 7.124 5.667 7.077 1.00 0.32 N ATOM 105 CA GLU A 7 7.383 4.964 5.854 1.00 0.31 C ATOM 106 C GLU A 7 7.434 3.508 6.274 1.00 0.37 C ATOM 107 O GLU A 7 8.400 3.083 6.909 1.00 0.67 O ATOM 108 CB GLU A 7 8.751 5.385 5.274 1.00 0.40 C ATOM 109 CG GLU A 7 9.336 6.704 5.813 1.00 0.68 C ATOM 110 CD GLU A 7 10.089 6.538 7.140 1.00 0.98 C ATOM 111 OE1 GLU A 7 9.419 6.306 8.176 1.00 1.03 O ATOM 112 OE2 GLU A 7 11.332 6.612 7.114 1.00 1.95 O ATOM 0 H GLU A 7 7.952 5.650 7.672 1.00 0.32 H new ATOM 0 HA GLU A 7 6.633 5.164 5.089 1.00 0.31 H new ATOM 0 HB2 GLU A 7 9.467 4.587 5.469 1.00 0.40 H new ATOM 0 HB3 GLU A 7 8.654 5.469 4.192 1.00 0.40 H new ATOM 0 HG2 GLU A 7 10.013 7.123 5.069 1.00 0.68 H new ATOM 0 HG3 GLU A 7 8.528 7.423 5.949 1.00 0.68 H new ATOM 119 N ILE A 8 6.389 2.747 5.988 1.00 0.28 N ATOM 120 CA ILE A 8 6.425 1.332 6.205 1.00 0.29 C ATOM 121 C ILE A 8 6.980 0.699 4.930 1.00 0.23 C ATOM 122 O ILE A 8 6.957 1.337 3.875 1.00 0.22 O ATOM 123 CB ILE A 8 5.016 0.867 6.559 1.00 0.42 C ATOM 124 CG1 ILE A 8 4.179 1.809 7.422 1.00 1.09 C ATOM 125 CG2 ILE A 8 5.101 -0.509 7.189 1.00 0.81 C ATOM 126 CD1 ILE A 8 4.855 2.099 8.740 1.00 1.91 C ATOM 0 H ILE A 8 5.511 3.097 5.605 1.00 0.28 H new ATOM 0 HA ILE A 8 7.069 1.036 7.034 1.00 0.29 H new ATOM 0 HB ILE A 8 4.471 0.850 5.615 1.00 0.42 H new ATOM 0 HG12 ILE A 8 4.010 2.743 6.885 1.00 1.09 H new ATOM 0 HG13 ILE A 8 3.200 1.365 7.604 1.00 1.09 H new ATOM 0 HG21 ILE A 8 4.100 -0.853 7.447 1.00 0.81 H new ATOM 0 HG22 ILE A 8 5.553 -1.205 6.483 1.00 0.81 H new ATOM 0 HG23 ILE A 8 5.711 -0.459 8.091 1.00 0.81 H new ATOM 0 HD11 ILE A 8 4.232 2.772 9.328 1.00 1.91 H new ATOM 0 HD12 ILE A 8 5.000 1.168 9.287 1.00 1.91 H new ATOM 0 HD13 ILE A 8 5.822 2.567 8.558 1.00 1.91 H new ATOM 138 N ALA A 9 7.483 -0.532 5.023 1.00 0.25 N ATOM 139 CA ALA A 9 7.850 -1.364 3.890 1.00 0.24 C ATOM 140 C ALA A 9 7.090 -2.675 4.051 1.00 0.35 C ATOM 141 O ALA A 9 6.980 -3.170 5.172 1.00 0.54 O ATOM 142 CB ALA A 9 9.362 -1.606 3.889 1.00 0.33 C ATOM 0 H ALA A 9 7.649 -0.987 5.921 1.00 0.25 H new ATOM 0 HA ALA A 9 7.597 -0.887 2.943 1.00 0.24 H new ATOM 0 HB1 ALA A 9 9.630 -2.231 3.037 1.00 0.33 H new ATOM 0 HB2 ALA A 9 9.883 -0.651 3.817 1.00 0.33 H new ATOM 0 HB3 ALA A 9 9.651 -2.109 4.812 1.00 0.33 H new ATOM 148 N MET A 10 6.532 -3.222 2.970 1.00 0.30 N ATOM 149 CA MET A 10 5.903 -4.537 2.997 1.00 0.36 C ATOM 150 C MET A 10 6.155 -5.255 1.671 1.00 0.24 C ATOM 151 O MET A 10 6.571 -4.629 0.696 1.00 0.23 O ATOM 152 CB MET A 10 4.397 -4.420 3.267 1.00 0.62 C ATOM 153 CG MET A 10 4.006 -3.740 4.582 1.00 1.11 C ATOM 154 SD MET A 10 2.217 -3.770 4.883 1.00 1.99 S ATOM 155 CE MET A 10 2.140 -2.986 6.505 1.00 2.79 C ATOM 0 H MET A 10 6.505 -2.767 2.058 1.00 0.30 H new ATOM 0 HA MET A 10 6.343 -5.118 3.808 1.00 0.36 H new ATOM 0 HB2 MET A 10 3.942 -3.868 2.445 1.00 0.62 H new ATOM 0 HB3 MET A 10 3.966 -5.421 3.256 1.00 0.62 H new ATOM 0 HG2 MET A 10 4.517 -4.235 5.408 1.00 1.11 H new ATOM 0 HG3 MET A 10 4.350 -2.706 4.568 1.00 1.11 H new ATOM 0 HE1 MET A 10 1.160 -3.163 6.949 1.00 2.79 H new ATOM 0 HE2 MET A 10 2.912 -3.407 7.149 1.00 2.79 H new ATOM 0 HE3 MET A 10 2.301 -1.913 6.399 1.00 2.79 H new ATOM 165 N GLN A 11 5.893 -6.564 1.645 1.00 0.26 N ATOM 166 CA GLN A 11 5.976 -7.412 0.466 1.00 0.28 C ATOM 167 C GLN A 11 4.639 -7.406 -0.276 1.00 0.32 C ATOM 168 O GLN A 11 3.599 -7.167 0.332 1.00 0.34 O ATOM 169 CB GLN A 11 6.340 -8.848 0.900 1.00 0.32 C ATOM 170 CG GLN A 11 7.854 -9.090 0.959 1.00 0.67 C ATOM 171 CD GLN A 11 8.518 -8.759 -0.369 1.00 1.15 C ATOM 172 OE1 GLN A 11 9.544 -8.091 -0.405 1.00 2.35 O ATOM 173 NE2 GLN A 11 7.877 -9.149 -1.468 1.00 0.78 N ATOM 0 H GLN A 11 5.607 -7.076 2.479 1.00 0.26 H new ATOM 0 HA GLN A 11 6.746 -7.032 -0.205 1.00 0.28 H new ATOM 0 HB2 GLN A 11 5.907 -9.046 1.881 1.00 0.32 H new ATOM 0 HB3 GLN A 11 5.891 -9.557 0.204 1.00 0.32 H new ATOM 0 HG2 GLN A 11 8.292 -8.480 1.749 1.00 0.67 H new ATOM 0 HG3 GLN A 11 8.048 -10.131 1.216 1.00 0.67 H new ATOM 0 HE21 GLN A 11 7.025 -9.705 -1.391 1.00 0.78 H new ATOM 0 HE22 GLN A 11 8.238 -8.892 -2.387 1.00 0.78 H new ATOM 182 N VAL A 12 4.660 -7.687 -1.581 1.00 0.44 N ATOM 183 CA VAL A 12 3.471 -7.715 -2.428 1.00 0.52 C ATOM 184 C VAL A 12 3.183 -9.147 -2.891 1.00 0.49 C ATOM 185 O VAL A 12 4.111 -9.852 -3.279 1.00 0.63 O ATOM 186 CB VAL A 12 3.694 -6.778 -3.627 1.00 0.72 C ATOM 187 CG1 VAL A 12 2.503 -6.845 -4.589 1.00 1.42 C ATOM 188 CG2 VAL A 12 3.877 -5.332 -3.148 1.00 1.04 C ATOM 0 H VAL A 12 5.520 -7.905 -2.085 1.00 0.44 H new ATOM 0 HA VAL A 12 2.604 -7.371 -1.864 1.00 0.52 H new ATOM 0 HB VAL A 12 4.595 -7.103 -4.148 1.00 0.72 H new ATOM 0 HG11 VAL A 12 2.678 -6.176 -5.431 1.00 1.42 H new ATOM 0 HG12 VAL A 12 2.387 -7.865 -4.954 1.00 1.42 H new ATOM 0 HG13 VAL A 12 1.596 -6.541 -4.067 1.00 1.42 H new ATOM 0 HG21 VAL A 12 4.034 -4.681 -4.008 1.00 1.04 H new ATOM 0 HG22 VAL A 12 2.986 -5.012 -2.608 1.00 1.04 H new ATOM 0 HG23 VAL A 12 4.742 -5.274 -2.487 1.00 1.04 H new ATOM 198 N SER A 13 1.903 -9.547 -2.897 1.00 0.45 N ATOM 199 CA SER A 13 1.428 -10.809 -3.451 1.00 0.46 C ATOM 200 C SER A 13 0.129 -10.581 -4.232 1.00 0.51 C ATOM 201 O SER A 13 -0.519 -9.546 -4.087 1.00 0.60 O ATOM 202 CB SER A 13 1.195 -11.808 -2.313 1.00 0.58 C ATOM 203 OG SER A 13 2.427 -12.137 -1.705 1.00 1.09 O ATOM 0 H SER A 13 1.153 -8.979 -2.503 1.00 0.45 H new ATOM 0 HA SER A 13 2.177 -11.212 -4.133 1.00 0.46 H new ATOM 0 HB2 SER A 13 0.517 -11.380 -1.574 1.00 0.58 H new ATOM 0 HB3 SER A 13 0.718 -12.709 -2.699 1.00 0.58 H new ATOM 0 HG SER A 13 2.335 -12.981 -1.215 1.00 1.09 H new ATOM 209 N GLY A 14 -0.259 -11.572 -5.045 1.00 0.58 N ATOM 210 CA GLY A 14 -1.507 -11.549 -5.797 1.00 0.73 C ATOM 211 C GLY A 14 -1.491 -10.438 -6.845 1.00 0.82 C ATOM 212 O GLY A 14 -2.170 -9.426 -6.687 1.00 1.71 O ATOM 0 H GLY A 14 0.293 -12.416 -5.196 1.00 0.58 H new ATOM 0 HA2 GLY A 14 -1.661 -12.512 -6.284 1.00 0.73 H new ATOM 0 HA3 GLY A 14 -2.344 -11.400 -5.115 1.00 0.73 H new ATOM 216 N MET A 15 -0.705 -10.625 -7.910 1.00 0.92 N ATOM 217 CA MET A 15 -0.477 -9.617 -8.932 1.00 0.97 C ATOM 218 C MET A 15 -0.146 -10.292 -10.261 1.00 1.02 C ATOM 219 O MET A 15 0.308 -11.437 -10.264 1.00 1.12 O ATOM 220 CB MET A 15 0.672 -8.707 -8.475 1.00 0.95 C ATOM 221 CG MET A 15 2.041 -9.400 -8.446 1.00 0.96 C ATOM 222 SD MET A 15 2.968 -9.273 -9.998 1.00 1.58 S ATOM 223 CE MET A 15 4.204 -10.560 -9.731 1.00 1.95 C ATOM 0 H MET A 15 -0.205 -11.497 -8.082 1.00 0.92 H new ATOM 0 HA MET A 15 -1.374 -9.015 -9.077 1.00 0.97 H new ATOM 0 HB2 MET A 15 0.726 -7.845 -9.140 1.00 0.95 H new ATOM 0 HB3 MET A 15 0.447 -8.327 -7.478 1.00 0.95 H new ATOM 0 HG2 MET A 15 2.638 -8.968 -7.643 1.00 0.96 H new ATOM 0 HG3 MET A 15 1.898 -10.454 -8.206 1.00 0.96 H new ATOM 0 HE1 MET A 15 4.863 -10.617 -10.597 1.00 1.95 H new ATOM 0 HE2 MET A 15 4.791 -10.322 -8.844 1.00 1.95 H new ATOM 0 HE3 MET A 15 3.706 -11.519 -9.590 1.00 1.95 H new ATOM 233 N THR A 16 -0.349 -9.574 -11.367 1.00 1.05 N ATOM 234 CA THR A 16 0.119 -9.938 -12.696 1.00 1.13 C ATOM 235 C THR A 16 1.317 -9.077 -13.095 1.00 0.84 C ATOM 236 O THR A 16 2.361 -9.621 -13.452 1.00 1.23 O ATOM 237 CB THR A 16 -1.026 -9.782 -13.707 1.00 1.66 C ATOM 238 OG1 THR A 16 -1.894 -8.751 -13.273 1.00 1.88 O ATOM 239 CG2 THR A 16 -1.808 -11.092 -13.838 1.00 2.44 C ATOM 0 H THR A 16 -0.862 -8.693 -11.356 1.00 1.05 H new ATOM 0 HA THR A 16 0.442 -10.979 -12.689 1.00 1.13 H new ATOM 0 HB THR A 16 -0.607 -9.528 -14.681 1.00 1.66 H new ATOM 0 HG1 THR A 16 -2.626 -8.647 -13.917 1.00 1.88 H new ATOM 0 HG21 THR A 16 -2.616 -10.963 -14.559 1.00 2.44 H new ATOM 0 HG22 THR A 16 -1.139 -11.882 -14.180 1.00 2.44 H new ATOM 0 HG23 THR A 16 -2.226 -11.364 -12.869 1.00 2.44 H new ATOM 247 N CYS A 17 1.162 -7.746 -13.087 1.00 0.76 N ATOM 248 CA CYS A 17 2.149 -6.823 -13.630 1.00 1.25 C ATOM 249 C CYS A 17 2.521 -5.741 -12.617 1.00 1.32 C ATOM 250 O CYS A 17 1.751 -5.401 -11.718 1.00 2.23 O ATOM 251 CB CYS A 17 1.634 -6.229 -14.950 1.00 1.58 C ATOM 252 SG CYS A 17 0.159 -5.202 -14.705 1.00 1.66 S ATOM 0 H CYS A 17 0.340 -7.283 -12.699 1.00 0.76 H new ATOM 0 HA CYS A 17 3.066 -7.373 -13.841 1.00 1.25 H new ATOM 0 HB2 CYS A 17 2.420 -5.630 -15.409 1.00 1.58 H new ATOM 0 HB3 CYS A 17 1.402 -7.036 -15.645 1.00 1.58 H new ATOM 0 HG CYS A 17 -0.327 -5.416 -13.518 1.00 1.66 H new ATOM 257 N ALA A 18 3.709 -5.161 -12.794 1.00 1.21 N ATOM 258 CA ALA A 18 4.206 -4.068 -11.972 1.00 1.20 C ATOM 259 C ALA A 18 3.522 -2.752 -12.362 1.00 1.01 C ATOM 260 O ALA A 18 4.196 -1.769 -12.662 1.00 1.75 O ATOM 261 CB ALA A 18 5.727 -3.990 -12.142 1.00 1.66 C ATOM 0 H ALA A 18 4.360 -5.446 -13.526 1.00 1.21 H new ATOM 0 HA ALA A 18 3.975 -4.246 -10.922 1.00 1.20 H new ATOM 0 HB1 ALA A 18 6.120 -3.176 -11.533 1.00 1.66 H new ATOM 0 HB2 ALA A 18 6.177 -4.930 -11.824 1.00 1.66 H new ATOM 0 HB3 ALA A 18 5.967 -3.808 -13.190 1.00 1.66 H new ATOM 267 N ALA A 19 2.185 -2.730 -12.381 1.00 0.73 N ATOM 268 CA ALA A 19 1.413 -1.581 -12.841 1.00 0.54 C ATOM 269 C ALA A 19 0.052 -1.505 -12.153 1.00 0.39 C ATOM 270 O ALA A 19 -0.284 -0.455 -11.604 1.00 0.46 O ATOM 271 CB ALA A 19 1.283 -1.594 -14.366 1.00 0.69 C ATOM 0 H ALA A 19 1.609 -3.515 -12.075 1.00 0.73 H new ATOM 0 HA ALA A 19 1.954 -0.677 -12.562 1.00 0.54 H new ATOM 0 HB1 ALA A 19 0.704 -0.729 -14.689 1.00 0.69 H new ATOM 0 HB2 ALA A 19 2.275 -1.555 -14.816 1.00 0.69 H new ATOM 0 HB3 ALA A 19 0.777 -2.507 -14.680 1.00 0.69 H new ATOM 277 N CYS A 20 -0.730 -2.590 -12.125 1.00 0.38 N ATOM 278 CA CYS A 20 -1.911 -2.620 -11.262 1.00 0.38 C ATOM 279 C CYS A 20 -1.499 -2.338 -9.812 1.00 0.34 C ATOM 280 O CYS A 20 -2.138 -1.546 -9.118 1.00 0.37 O ATOM 281 CB CYS A 20 -2.718 -3.918 -11.430 1.00 0.50 C ATOM 282 SG CYS A 20 -1.693 -5.411 -11.380 1.00 2.43 S ATOM 0 H CYS A 20 -0.572 -3.435 -12.674 1.00 0.38 H new ATOM 0 HA CYS A 20 -2.594 -1.827 -11.567 1.00 0.38 H new ATOM 0 HB2 CYS A 20 -3.469 -3.975 -10.642 1.00 0.50 H new ATOM 0 HB3 CYS A 20 -3.253 -3.885 -12.379 1.00 0.50 H new ATOM 0 HG CYS A 20 -0.444 -5.085 -11.537 1.00 2.43 H new ATOM 287 N ALA A 21 -0.353 -2.888 -9.405 1.00 0.35 N ATOM 288 CA ALA A 21 0.305 -2.600 -8.138 1.00 0.34 C ATOM 289 C ALA A 21 0.482 -1.099 -7.855 1.00 0.30 C ATOM 290 O ALA A 21 0.639 -0.706 -6.703 1.00 0.30 O ATOM 291 CB ALA A 21 1.662 -3.308 -8.098 1.00 0.42 C ATOM 0 H ALA A 21 0.156 -3.568 -9.970 1.00 0.35 H new ATOM 0 HA ALA A 21 -0.350 -2.976 -7.352 1.00 0.34 H new ATOM 0 HB1 ALA A 21 2.156 -3.094 -7.150 1.00 0.42 H new ATOM 0 HB2 ALA A 21 1.514 -4.384 -8.195 1.00 0.42 H new ATOM 0 HB3 ALA A 21 2.283 -2.951 -8.920 1.00 0.42 H new ATOM 297 N ALA A 22 0.493 -0.232 -8.875 1.00 0.33 N ATOM 298 CA ALA A 22 0.472 1.203 -8.648 1.00 0.32 C ATOM 299 C ALA A 22 -0.909 1.638 -8.158 1.00 0.30 C ATOM 300 O ALA A 22 -1.014 2.406 -7.202 1.00 0.26 O ATOM 301 CB ALA A 22 0.872 1.956 -9.919 1.00 0.37 C ATOM 0 H ALA A 22 0.516 -0.505 -9.857 1.00 0.33 H new ATOM 0 HA ALA A 22 1.200 1.448 -7.875 1.00 0.32 H new ATOM 0 HB1 ALA A 22 0.850 3.029 -9.728 1.00 0.37 H new ATOM 0 HB2 ALA A 22 1.878 1.661 -10.215 1.00 0.37 H new ATOM 0 HB3 ALA A 22 0.173 1.715 -10.720 1.00 0.37 H new ATOM 307 N ARG A 23 -1.973 1.174 -8.824 1.00 0.38 N ATOM 308 CA ARG A 23 -3.326 1.613 -8.512 1.00 0.43 C ATOM 309 C ARG A 23 -3.660 1.325 -7.057 1.00 0.39 C ATOM 310 O ARG A 23 -4.339 2.135 -6.431 1.00 0.45 O ATOM 311 CB ARG A 23 -4.389 1.001 -9.442 1.00 0.56 C ATOM 312 CG ARG A 23 -4.618 1.841 -10.707 1.00 1.12 C ATOM 313 CD ARG A 23 -3.723 1.429 -11.881 1.00 1.27 C ATOM 314 NE ARG A 23 -4.456 0.547 -12.809 1.00 2.03 N ATOM 315 CZ ARG A 23 -4.166 0.398 -14.112 1.00 3.24 C ATOM 316 NH1 ARG A 23 -3.002 0.851 -14.587 1.00 4.08 N ATOM 317 NH2 ARG A 23 -5.049 -0.186 -14.931 1.00 4.19 N ATOM 0 H ARG A 23 -1.916 0.494 -9.582 1.00 0.38 H new ATOM 0 HA ARG A 23 -3.349 2.690 -8.680 1.00 0.43 H new ATOM 0 HB2 ARG A 23 -4.081 -0.005 -9.728 1.00 0.56 H new ATOM 0 HB3 ARG A 23 -5.329 0.904 -8.899 1.00 0.56 H new ATOM 0 HG2 ARG A 23 -5.662 1.754 -11.008 1.00 1.12 H new ATOM 0 HG3 ARG A 23 -4.439 2.891 -10.474 1.00 1.12 H new ATOM 0 HD2 ARG A 23 -3.378 2.317 -12.411 1.00 1.27 H new ATOM 0 HD3 ARG A 23 -2.837 0.916 -11.507 1.00 1.27 H new ATOM 0 HE ARG A 23 -5.239 0.012 -12.434 1.00 2.03 H new ATOM 0 HH11 ARG A 23 -2.339 1.307 -13.961 1.00 4.08 H new ATOM 0 HH12 ARG A 23 -2.777 0.740 -15.576 1.00 4.08 H new ATOM 0 HH21 ARG A 23 -5.942 -0.518 -14.566 1.00 4.19 H new ATOM 0 HH22 ARG A 23 -4.829 -0.299 -15.921 1.00 4.19 H new ATOM 331 N ILE A 24 -3.187 0.204 -6.506 1.00 0.38 N ATOM 332 CA ILE A 24 -3.463 -0.080 -5.106 1.00 0.40 C ATOM 333 C ILE A 24 -2.905 1.026 -4.211 1.00 0.37 C ATOM 334 O ILE A 24 -3.655 1.663 -3.477 1.00 0.42 O ATOM 335 CB ILE A 24 -3.096 -1.509 -4.693 1.00 0.45 C ATOM 336 CG1 ILE A 24 -1.603 -1.675 -4.432 1.00 0.52 C ATOM 337 CG2 ILE A 24 -3.618 -2.485 -5.751 1.00 0.56 C ATOM 338 CD1 ILE A 24 -1.123 -3.118 -4.290 1.00 0.49 C ATOM 0 H ILE A 24 -2.630 -0.498 -6.993 1.00 0.38 H new ATOM 0 HA ILE A 24 -4.543 -0.061 -4.960 1.00 0.40 H new ATOM 0 HB ILE A 24 -3.577 -1.734 -3.741 1.00 0.45 H new ATOM 0 HG12 ILE A 24 -1.054 -1.205 -5.248 1.00 0.52 H new ATOM 0 HG13 ILE A 24 -1.347 -1.133 -3.522 1.00 0.52 H new ATOM 0 HG21 ILE A 24 -3.361 -3.505 -5.464 1.00 0.56 H new ATOM 0 HG22 ILE A 24 -4.701 -2.392 -5.829 1.00 0.56 H new ATOM 0 HG23 ILE A 24 -3.164 -2.254 -6.715 1.00 0.56 H new ATOM 0 HD11 ILE A 24 -0.049 -3.128 -4.107 1.00 0.49 H new ATOM 0 HD12 ILE A 24 -1.638 -3.592 -3.454 1.00 0.49 H new ATOM 0 HD13 ILE A 24 -1.340 -3.665 -5.207 1.00 0.49 H new ATOM 350 N GLU A 25 -1.609 1.308 -4.328 1.00 0.31 N ATOM 351 CA GLU A 25 -0.947 2.348 -3.560 1.00 0.30 C ATOM 352 C GLU A 25 -1.605 3.703 -3.782 1.00 0.25 C ATOM 353 O GLU A 25 -1.874 4.421 -2.827 1.00 0.26 O ATOM 354 CB GLU A 25 0.540 2.400 -3.925 1.00 0.30 C ATOM 355 CG GLU A 25 1.299 1.301 -3.180 1.00 0.48 C ATOM 356 CD GLU A 25 1.506 1.679 -1.720 1.00 1.72 C ATOM 357 OE1 GLU A 25 2.478 2.427 -1.485 1.00 3.28 O ATOM 358 OE2 GLU A 25 0.689 1.241 -0.883 1.00 2.50 O ATOM 0 H GLU A 25 -0.987 0.813 -4.967 1.00 0.31 H new ATOM 0 HA GLU A 25 -1.043 2.107 -2.501 1.00 0.30 H new ATOM 0 HB2 GLU A 25 0.664 2.274 -5.001 1.00 0.30 H new ATOM 0 HB3 GLU A 25 0.952 3.376 -3.669 1.00 0.30 H new ATOM 0 HG2 GLU A 25 0.745 0.364 -3.242 1.00 0.48 H new ATOM 0 HG3 GLU A 25 2.265 1.133 -3.657 1.00 0.48 H new ATOM 365 N LYS A 26 -1.873 4.075 -5.033 1.00 0.26 N ATOM 366 CA LYS A 26 -2.426 5.391 -5.327 1.00 0.27 C ATOM 367 C LYS A 26 -3.844 5.499 -4.757 1.00 0.30 C ATOM 368 O LYS A 26 -4.191 6.479 -4.100 1.00 0.41 O ATOM 369 CB LYS A 26 -2.371 5.684 -6.833 1.00 0.30 C ATOM 370 CG LYS A 26 -1.030 6.300 -7.271 1.00 0.52 C ATOM 371 CD LYS A 26 0.173 5.362 -7.142 1.00 1.04 C ATOM 372 CE LYS A 26 1.436 6.046 -7.680 1.00 0.70 C ATOM 373 NZ LYS A 26 2.648 5.242 -7.425 1.00 1.73 N ATOM 0 H LYS A 26 -1.717 3.487 -5.852 1.00 0.26 H new ATOM 0 HA LYS A 26 -1.818 6.155 -4.842 1.00 0.27 H new ATOM 0 HB2 LYS A 26 -2.539 4.759 -7.385 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -3.181 6.364 -7.096 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -1.114 6.621 -8.309 1.00 0.52 H new ATOM 0 HG3 LYS A 26 -0.843 7.193 -6.675 1.00 0.52 H new ATOM 0 HD2 LYS A 26 0.317 5.085 -6.098 1.00 1.04 H new ATOM 0 HD3 LYS A 26 -0.014 4.441 -7.694 1.00 1.04 H new ATOM 0 HE2 LYS A 26 1.330 6.213 -8.752 1.00 0.70 H new ATOM 0 HE3 LYS A 26 1.545 7.025 -7.214 1.00 0.70 H new ATOM 0 HZ1 LYS A 26 3.480 5.738 -7.804 1.00 1.73 H new ATOM 0 HZ2 LYS A 26 2.764 5.104 -6.401 1.00 1.73 H new ATOM 0 HZ3 LYS A 26 2.555 4.317 -7.891 1.00 1.73 H new ATOM 387 N GLY A 27 -4.666 4.473 -4.975 1.00 0.29 N ATOM 388 CA GLY A 27 -6.011 4.412 -4.433 1.00 0.31 C ATOM 389 C GLY A 27 -6.008 4.269 -2.913 1.00 0.35 C ATOM 390 O GLY A 27 -7.024 4.567 -2.282 1.00 0.66 O ATOM 0 H GLY A 27 -4.411 3.660 -5.536 1.00 0.29 H new ATOM 0 HA2 GLY A 27 -6.556 5.314 -4.711 1.00 0.31 H new ATOM 0 HA3 GLY A 27 -6.543 3.570 -4.876 1.00 0.31 H new ATOM 394 N LEU A 28 -4.928 3.744 -2.327 1.00 0.33 N ATOM 395 CA LEU A 28 -4.693 3.719 -0.885 1.00 0.39 C ATOM 396 C LEU A 28 -4.325 5.126 -0.395 1.00 0.40 C ATOM 397 O LEU A 28 -4.841 5.594 0.615 1.00 0.51 O ATOM 398 CB LEU A 28 -3.682 2.605 -0.566 1.00 0.45 C ATOM 399 CG LEU A 28 -3.276 2.392 0.900 1.00 0.64 C ATOM 400 CD1 LEU A 28 -2.139 3.332 1.287 1.00 2.43 C ATOM 401 CD2 LEU A 28 -4.441 2.512 1.884 1.00 1.91 C ATOM 0 H LEU A 28 -4.173 3.313 -2.860 1.00 0.33 H new ATOM 0 HA LEU A 28 -5.592 3.463 -0.324 1.00 0.39 H new ATOM 0 HB2 LEU A 28 -4.093 1.666 -0.938 1.00 0.45 H new ATOM 0 HB3 LEU A 28 -2.775 2.805 -1.137 1.00 0.45 H new ATOM 0 HG LEU A 28 -2.929 1.361 0.971 1.00 0.64 H new ATOM 0 HD11 LEU A 28 -1.867 3.164 2.329 1.00 2.43 H new ATOM 0 HD12 LEU A 28 -1.275 3.139 0.651 1.00 2.43 H new ATOM 0 HD13 LEU A 28 -2.461 4.365 1.158 1.00 2.43 H new ATOM 0 HD21 LEU A 28 -4.078 2.350 2.899 1.00 1.91 H new ATOM 0 HD22 LEU A 28 -4.879 3.508 1.810 1.00 1.91 H new ATOM 0 HD23 LEU A 28 -5.197 1.764 1.645 1.00 1.91 H new ATOM 413 N LYS A 29 -3.500 5.851 -1.149 1.00 0.34 N ATOM 414 CA LYS A 29 -3.058 7.215 -0.864 1.00 0.42 C ATOM 415 C LYS A 29 -4.207 8.217 -0.695 1.00 0.54 C ATOM 416 O LYS A 29 -3.986 9.351 -0.263 1.00 0.89 O ATOM 417 CB LYS A 29 -2.120 7.686 -1.979 1.00 0.45 C ATOM 418 CG LYS A 29 -1.102 8.705 -1.467 1.00 0.80 C ATOM 419 CD LYS A 29 -0.885 9.834 -2.482 1.00 0.87 C ATOM 420 CE LYS A 29 -2.042 10.834 -2.507 1.00 1.69 C ATOM 421 NZ LYS A 29 -2.372 11.353 -1.159 1.00 2.92 N ATOM 0 H LYS A 29 -3.103 5.486 -2.015 1.00 0.34 H new ATOM 0 HA LYS A 29 -2.540 7.182 0.095 1.00 0.42 H new ATOM 0 HB2 LYS A 29 -1.596 6.828 -2.401 1.00 0.45 H new ATOM 0 HB3 LYS A 29 -2.706 8.129 -2.784 1.00 0.45 H new ATOM 0 HG2 LYS A 29 -1.448 9.124 -0.522 1.00 0.80 H new ATOM 0 HG3 LYS A 29 -0.154 8.206 -1.267 1.00 0.80 H new ATOM 0 HD2 LYS A 29 0.039 10.360 -2.243 1.00 0.87 H new ATOM 0 HD3 LYS A 29 -0.759 9.405 -3.476 1.00 0.87 H new ATOM 0 HE2 LYS A 29 -1.784 11.667 -3.161 1.00 1.69 H new ATOM 0 HE3 LYS A 29 -2.923 10.355 -2.934 1.00 1.69 H new ATOM 0 HZ1 LYS A 29 -2.930 12.226 -1.250 1.00 2.92 H new ATOM 0 HZ2 LYS A 29 -2.924 10.642 -0.639 1.00 2.92 H new ATOM 0 HZ3 LYS A 29 -1.494 11.556 -0.641 1.00 2.92 H new ATOM 435 N ARG A 30 -5.402 7.834 -1.148 1.00 0.45 N ATOM 436 CA ARG A 30 -6.646 8.578 -1.044 1.00 0.47 C ATOM 437 C ARG A 30 -7.337 8.375 0.316 1.00 0.49 C ATOM 438 O ARG A 30 -8.339 9.038 0.577 1.00 0.53 O ATOM 439 CB ARG A 30 -7.545 8.140 -2.220 1.00 0.48 C ATOM 440 CG ARG A 30 -7.715 9.241 -3.276 1.00 0.68 C ATOM 441 CD ARG A 30 -8.974 10.068 -2.993 1.00 1.49 C ATOM 442 NE ARG A 30 -9.087 11.203 -3.926 1.00 1.87 N ATOM 443 CZ ARG A 30 -10.202 11.924 -4.135 1.00 2.73 C ATOM 444 NH1 ARG A 30 -11.329 11.619 -3.481 1.00 3.68 N ATOM 445 NH2 ARG A 30 -10.184 12.948 -4.997 1.00 3.13 N ATOM 0 H ARG A 30 -5.528 6.941 -1.625 1.00 0.45 H new ATOM 0 HA ARG A 30 -6.444 9.648 -1.102 1.00 0.47 H new ATOM 0 HB2 ARG A 30 -7.117 7.255 -2.690 1.00 0.48 H new ATOM 0 HB3 ARG A 30 -8.525 7.855 -1.837 1.00 0.48 H new ATOM 0 HG2 ARG A 30 -6.839 9.890 -3.277 1.00 0.68 H new ATOM 0 HG3 ARG A 30 -7.782 8.794 -4.268 1.00 0.68 H new ATOM 0 HD2 ARG A 30 -9.856 9.434 -3.080 1.00 1.49 H new ATOM 0 HD3 ARG A 30 -8.947 10.438 -1.968 1.00 1.49 H new ATOM 0 HE ARG A 30 -8.254 11.462 -4.455 1.00 1.87 H new ATOM 0 HH11 ARG A 30 -11.342 10.839 -2.824 1.00 3.68 H new ATOM 0 HH12 ARG A 30 -12.175 12.166 -3.640 1.00 3.68 H new ATOM 0 HH21 ARG A 30 -9.325 13.181 -5.495 1.00 3.13 H new ATOM 0 HH22 ARG A 30 -11.030 13.496 -5.156 1.00 3.13 H new ATOM 459 N MET A 31 -6.848 7.467 1.168 1.00 0.50 N ATOM 460 CA MET A 31 -7.448 7.194 2.470 1.00 0.50 C ATOM 461 C MET A 31 -7.077 8.271 3.491 1.00 0.46 C ATOM 462 O MET A 31 -5.986 8.841 3.420 1.00 0.48 O ATOM 463 CB MET A 31 -6.985 5.829 2.996 1.00 0.61 C ATOM 464 CG MET A 31 -7.571 4.685 2.171 1.00 1.52 C ATOM 465 SD MET A 31 -9.378 4.508 2.219 1.00 3.01 S ATOM 466 CE MET A 31 -9.621 3.768 3.850 1.00 3.18 C ATOM 0 H MET A 31 -6.023 6.902 0.969 1.00 0.50 H new ATOM 0 HA MET A 31 -8.530 7.192 2.336 1.00 0.50 H new ATOM 0 HB2 MET A 31 -5.897 5.778 2.970 1.00 0.61 H new ATOM 0 HB3 MET A 31 -7.285 5.718 4.038 1.00 0.61 H new ATOM 0 HG2 MET A 31 -7.267 4.820 1.133 1.00 1.52 H new ATOM 0 HG3 MET A 31 -7.126 3.751 2.515 1.00 1.52 H new ATOM 0 HE1 MET A 31 -10.685 3.602 4.019 1.00 3.18 H new ATOM 0 HE2 MET A 31 -9.092 2.816 3.900 1.00 3.18 H new ATOM 0 HE3 MET A 31 -9.232 4.439 4.616 1.00 3.18 H new ATOM 476 N PRO A 32 -7.953 8.518 4.479 1.00 0.47 N ATOM 477 CA PRO A 32 -7.624 9.378 5.599 1.00 0.45 C ATOM 478 C PRO A 32 -6.367 8.841 6.286 1.00 0.48 C ATOM 479 O PRO A 32 -6.221 7.635 6.484 1.00 0.60 O ATOM 480 CB PRO A 32 -8.849 9.354 6.521 1.00 0.50 C ATOM 481 CG PRO A 32 -9.517 8.019 6.194 1.00 0.55 C ATOM 482 CD PRO A 32 -9.232 7.859 4.701 1.00 0.55 C ATOM 0 HA PRO A 32 -7.406 10.404 5.302 1.00 0.45 H new ATOM 0 HB2 PRO A 32 -8.562 9.412 7.571 1.00 0.50 H new ATOM 0 HB3 PRO A 32 -9.515 10.194 6.325 1.00 0.50 H new ATOM 0 HG2 PRO A 32 -9.094 7.201 6.777 1.00 0.55 H new ATOM 0 HG3 PRO A 32 -10.587 8.039 6.402 1.00 0.55 H new ATOM 0 HD2 PRO A 32 -9.186 6.807 4.420 1.00 0.55 H new ATOM 0 HD3 PRO A 32 -10.019 8.315 4.100 1.00 0.55 H new ATOM 490 N GLY A 33 -5.438 9.739 6.613 1.00 0.51 N ATOM 491 CA GLY A 33 -4.213 9.383 7.305 1.00 0.52 C ATOM 492 C GLY A 33 -3.068 9.004 6.371 1.00 0.41 C ATOM 493 O GLY A 33 -1.958 8.840 6.858 1.00 0.54 O ATOM 0 H GLY A 33 -5.520 10.734 6.402 1.00 0.51 H new ATOM 0 HA2 GLY A 33 -3.900 10.222 7.926 1.00 0.52 H new ATOM 0 HA3 GLY A 33 -4.415 8.548 7.975 1.00 0.52 H new ATOM 497 N VAL A 34 -3.292 8.831 5.059 1.00 0.56 N ATOM 498 CA VAL A 34 -2.200 8.544 4.138 1.00 0.46 C ATOM 499 C VAL A 34 -1.857 9.799 3.343 1.00 0.45 C ATOM 500 O VAL A 34 -2.707 10.336 2.634 1.00 0.61 O ATOM 501 CB VAL A 34 -2.532 7.368 3.213 1.00 0.47 C ATOM 502 CG1 VAL A 34 -1.259 7.037 2.419 1.00 0.42 C ATOM 503 CG2 VAL A 34 -2.995 6.139 4.009 1.00 0.57 C ATOM 0 H VAL A 34 -4.212 8.886 4.623 1.00 0.56 H new ATOM 0 HA VAL A 34 -1.327 8.246 4.719 1.00 0.46 H new ATOM 0 HB VAL A 34 -3.350 7.641 2.547 1.00 0.47 H new ATOM 0 HG11 VAL A 34 -1.456 6.202 1.747 1.00 0.42 H new ATOM 0 HG12 VAL A 34 -0.957 7.908 1.837 1.00 0.42 H new ATOM 0 HG13 VAL A 34 -0.460 6.767 3.109 1.00 0.42 H new ATOM 0 HG21 VAL A 34 -3.222 5.324 3.321 1.00 0.57 H new ATOM 0 HG22 VAL A 34 -2.204 5.828 4.691 1.00 0.57 H new ATOM 0 HG23 VAL A 34 -3.888 6.391 4.580 1.00 0.57 H new ATOM 513 N THR A 35 -0.598 10.238 3.420 1.00 0.47 N ATOM 514 CA THR A 35 -0.123 11.386 2.665 1.00 0.43 C ATOM 515 C THR A 35 0.397 10.913 1.307 1.00 0.32 C ATOM 516 O THR A 35 -0.119 11.371 0.285 1.00 0.47 O ATOM 517 CB THR A 35 0.858 12.222 3.514 1.00 0.55 C ATOM 518 OG1 THR A 35 0.286 13.479 3.812 1.00 1.32 O ATOM 519 CG2 THR A 35 2.235 12.455 2.885 1.00 1.04 C ATOM 0 H THR A 35 0.114 9.805 4.008 1.00 0.47 H new ATOM 0 HA THR A 35 -0.932 12.081 2.439 1.00 0.43 H new ATOM 0 HB THR A 35 1.027 11.624 4.410 1.00 0.55 H new ATOM 0 HG1 THR A 35 0.913 14.004 4.352 1.00 1.32 H new ATOM 0 HG21 THR A 35 2.847 13.052 3.561 1.00 1.04 H new ATOM 0 HG22 THR A 35 2.721 11.496 2.707 1.00 1.04 H new ATOM 0 HG23 THR A 35 2.118 12.983 1.939 1.00 1.04 H new ATOM 527 N ASP A 36 1.348 9.967 1.271 1.00 0.31 N ATOM 528 CA ASP A 36 1.981 9.514 0.044 1.00 0.35 C ATOM 529 C ASP A 36 2.172 8.007 0.071 1.00 0.30 C ATOM 530 O ASP A 36 2.142 7.383 1.128 1.00 0.31 O ATOM 531 CB ASP A 36 3.280 10.280 -0.233 1.00 0.48 C ATOM 532 CG ASP A 36 3.011 11.510 -1.090 1.00 1.03 C ATOM 533 OD1 ASP A 36 2.486 11.307 -2.209 1.00 1.48 O ATOM 534 OD2 ASP A 36 3.316 12.621 -0.610 1.00 2.61 O ATOM 0 H ASP A 36 1.696 9.497 2.107 1.00 0.31 H new ATOM 0 HA ASP A 36 1.320 9.736 -0.794 1.00 0.35 H new ATOM 0 HB2 ASP A 36 3.738 10.581 0.709 1.00 0.48 H new ATOM 0 HB3 ASP A 36 3.991 9.627 -0.739 1.00 0.48 H new ATOM 539 N ALA A 37 2.285 7.408 -1.114 1.00 0.31 N ATOM 540 CA ALA A 37 2.357 5.959 -1.268 1.00 0.31 C ATOM 541 C ALA A 37 3.060 5.577 -2.569 1.00 0.34 C ATOM 542 O ALA A 37 2.933 6.287 -3.570 1.00 0.41 O ATOM 543 CB ALA A 37 0.943 5.379 -1.178 1.00 0.42 C ATOM 0 H ALA A 37 2.329 7.918 -1.996 1.00 0.31 H new ATOM 0 HA ALA A 37 2.957 5.533 -0.464 1.00 0.31 H new ATOM 0 HB1 ALA A 37 0.986 4.296 -1.292 1.00 0.42 H new ATOM 0 HB2 ALA A 37 0.510 5.625 -0.208 1.00 0.42 H new ATOM 0 HB3 ALA A 37 0.325 5.803 -1.969 1.00 0.42 H new ATOM 549 N ASN A 38 3.842 4.493 -2.560 1.00 0.33 N ATOM 550 CA ASN A 38 4.791 4.198 -3.619 1.00 0.39 C ATOM 551 C ASN A 38 5.060 2.698 -3.659 1.00 0.36 C ATOM 552 O ASN A 38 5.687 2.138 -2.759 1.00 0.33 O ATOM 553 CB ASN A 38 6.118 4.984 -3.504 1.00 0.43 C ATOM 554 CG ASN A 38 6.284 5.938 -2.322 1.00 0.43 C ATOM 555 OD1 ASN A 38 6.497 7.130 -2.508 1.00 0.59 O ATOM 556 ND2 ASN A 38 6.231 5.432 -1.095 1.00 0.41 N ATOM 0 H ASN A 38 3.829 3.799 -1.813 1.00 0.33 H new ATOM 0 HA ASN A 38 4.333 4.525 -4.553 1.00 0.39 H new ATOM 0 HB2 ASN A 38 6.933 4.261 -3.467 1.00 0.43 H new ATOM 0 HB3 ASN A 38 6.245 5.561 -4.420 1.00 0.43 H new ATOM 0 HD21 ASN A 38 6.369 6.039 -0.287 1.00 0.41 H new ATOM 0 HD22 ASN A 38 6.052 4.437 -0.961 1.00 0.41 H new ATOM 563 N VAL A 39 4.653 2.051 -4.754 1.00 0.38 N ATOM 564 CA VAL A 39 4.939 0.640 -4.935 1.00 0.30 C ATOM 565 C VAL A 39 6.375 0.492 -5.458 1.00 0.28 C ATOM 566 O VAL A 39 6.691 0.967 -6.547 1.00 0.49 O ATOM 567 CB VAL A 39 3.865 -0.005 -5.832 1.00 0.34 C ATOM 568 CG1 VAL A 39 4.027 0.261 -7.335 1.00 0.55 C ATOM 569 CG2 VAL A 39 3.820 -1.504 -5.535 1.00 0.47 C ATOM 0 H VAL A 39 4.131 2.482 -5.516 1.00 0.38 H new ATOM 0 HA VAL A 39 4.890 0.099 -3.990 1.00 0.30 H new ATOM 0 HB VAL A 39 2.917 0.472 -5.583 1.00 0.34 H new ATOM 0 HG11 VAL A 39 3.224 -0.234 -7.881 1.00 0.55 H new ATOM 0 HG12 VAL A 39 3.984 1.334 -7.521 1.00 0.55 H new ATOM 0 HG13 VAL A 39 4.988 -0.128 -7.672 1.00 0.55 H new ATOM 0 HG21 VAL A 39 3.064 -1.977 -6.162 1.00 0.47 H new ATOM 0 HG22 VAL A 39 4.794 -1.946 -5.745 1.00 0.47 H new ATOM 0 HG23 VAL A 39 3.570 -1.660 -4.486 1.00 0.47 H new ATOM 579 N ASN A 40 7.264 -0.150 -4.693 1.00 0.32 N ATOM 580 CA ASN A 40 8.645 -0.398 -5.101 1.00 0.31 C ATOM 581 C ASN A 40 8.715 -1.810 -5.688 1.00 0.30 C ATOM 582 O ASN A 40 9.464 -2.687 -5.243 1.00 0.31 O ATOM 583 CB ASN A 40 9.582 -0.191 -3.905 1.00 0.33 C ATOM 584 CG ASN A 40 11.050 -0.313 -4.303 1.00 0.39 C ATOM 585 OD1 ASN A 40 11.386 -0.410 -5.480 1.00 0.53 O ATOM 586 ND2 ASN A 40 11.948 -0.289 -3.322 1.00 0.61 N ATOM 0 H ASN A 40 7.041 -0.514 -3.767 1.00 0.32 H new ATOM 0 HA ASN A 40 8.972 0.303 -5.868 1.00 0.31 H new ATOM 0 HB2 ASN A 40 9.404 0.793 -3.471 1.00 0.33 H new ATOM 0 HB3 ASN A 40 9.353 -0.926 -3.133 1.00 0.33 H new ATOM 0 HD21 ASN A 40 12.943 -0.352 -3.539 1.00 0.61 H new ATOM 0 HD22 ASN A 40 11.642 -0.208 -2.352 1.00 0.61 H new ATOM 593 N LEU A 41 7.895 -2.016 -6.720 1.00 0.34 N ATOM 594 CA LEU A 41 7.702 -3.321 -7.340 1.00 0.41 C ATOM 595 C LEU A 41 8.964 -3.747 -8.090 1.00 0.43 C ATOM 596 O LEU A 41 9.163 -4.933 -8.324 1.00 0.54 O ATOM 597 CB LEU A 41 6.459 -3.288 -8.244 1.00 0.49 C ATOM 598 CG LEU A 41 5.501 -4.482 -8.072 1.00 0.51 C ATOM 599 CD1 LEU A 41 6.060 -5.795 -8.628 1.00 0.88 C ATOM 600 CD2 LEU A 41 5.070 -4.682 -6.616 1.00 0.96 C ATOM 0 H LEU A 41 7.343 -1.274 -7.150 1.00 0.34 H new ATOM 0 HA LEU A 41 7.526 -4.073 -6.570 1.00 0.41 H new ATOM 0 HB2 LEU A 41 5.909 -2.368 -8.047 1.00 0.49 H new ATOM 0 HB3 LEU A 41 6.784 -3.249 -9.284 1.00 0.49 H new ATOM 0 HG LEU A 41 4.624 -4.218 -8.663 1.00 0.51 H new ATOM 0 HD11 LEU A 41 5.334 -6.594 -8.474 1.00 0.88 H new ATOM 0 HD12 LEU A 41 6.256 -5.684 -9.694 1.00 0.88 H new ATOM 0 HD13 LEU A 41 6.988 -6.043 -8.112 1.00 0.88 H new ATOM 0 HD21 LEU A 41 4.396 -5.536 -6.550 1.00 0.96 H new ATOM 0 HD22 LEU A 41 5.949 -4.865 -5.998 1.00 0.96 H new ATOM 0 HD23 LEU A 41 4.558 -3.787 -6.262 1.00 0.96 H new ATOM 612 N ALA A 42 9.850 -2.794 -8.399 1.00 0.39 N ATOM 613 CA ALA A 42 11.193 -3.059 -8.901 1.00 0.46 C ATOM 614 C ALA A 42 11.916 -4.139 -8.096 1.00 0.51 C ATOM 615 O ALA A 42 12.766 -4.832 -8.649 1.00 0.57 O ATOM 616 CB ALA A 42 12.025 -1.781 -8.837 1.00 0.45 C ATOM 0 H ALA A 42 9.645 -1.799 -8.304 1.00 0.39 H new ATOM 0 HA ALA A 42 11.084 -3.410 -9.927 1.00 0.46 H new ATOM 0 HB1 ALA A 42 13.029 -1.981 -9.213 1.00 0.45 H new ATOM 0 HB2 ALA A 42 11.556 -1.010 -9.448 1.00 0.45 H new ATOM 0 HB3 ALA A 42 12.086 -1.438 -7.804 1.00 0.45 H new ATOM 622 N THR A 43 11.620 -4.243 -6.795 1.00 0.54 N ATOM 623 CA THR A 43 12.140 -5.307 -5.952 1.00 0.67 C ATOM 624 C THR A 43 10.992 -5.973 -5.178 1.00 0.76 C ATOM 625 O THR A 43 11.181 -6.387 -4.037 1.00 1.27 O ATOM 626 CB THR A 43 13.264 -4.743 -5.059 1.00 0.68 C ATOM 627 OG1 THR A 43 13.773 -5.719 -4.173 1.00 0.89 O ATOM 628 CG2 THR A 43 12.817 -3.524 -4.249 1.00 0.63 C ATOM 0 H THR A 43 11.012 -3.587 -6.304 1.00 0.54 H new ATOM 0 HA THR A 43 12.589 -6.099 -6.552 1.00 0.67 H new ATOM 0 HB THR A 43 14.051 -4.433 -5.747 1.00 0.68 H new ATOM 0 HG1 THR A 43 13.031 -6.228 -3.786 1.00 0.89 H new ATOM 0 HG21 THR A 43 13.647 -3.168 -3.639 1.00 0.63 H new ATOM 0 HG22 THR A 43 12.501 -2.732 -4.928 1.00 0.63 H new ATOM 0 HG23 THR A 43 11.984 -3.802 -3.603 1.00 0.63 H new ATOM 636 N GLU A 44 9.802 -6.050 -5.789 1.00 0.60 N ATOM 637 CA GLU A 44 8.629 -6.732 -5.254 1.00 0.63 C ATOM 638 C GLU A 44 8.199 -6.209 -3.871 1.00 0.66 C ATOM 639 O GLU A 44 7.598 -6.958 -3.098 1.00 0.99 O ATOM 640 CB GLU A 44 8.854 -8.257 -5.262 1.00 0.70 C ATOM 641 CG GLU A 44 8.905 -8.859 -6.678 1.00 0.72 C ATOM 642 CD GLU A 44 10.164 -8.513 -7.467 1.00 2.44 C ATOM 643 OE1 GLU A 44 11.247 -8.481 -6.844 1.00 3.46 O ATOM 644 OE2 GLU A 44 10.017 -8.308 -8.690 1.00 3.64 O ATOM 0 H GLU A 44 9.630 -5.623 -6.699 1.00 0.60 H new ATOM 0 HA GLU A 44 7.790 -6.504 -5.912 1.00 0.63 H new ATOM 0 HB2 GLU A 44 9.787 -8.482 -4.746 1.00 0.70 H new ATOM 0 HB3 GLU A 44 8.054 -8.738 -4.699 1.00 0.70 H new ATOM 0 HG2 GLU A 44 8.826 -9.943 -6.601 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.035 -8.515 -7.237 1.00 0.72 H new ATOM 651 N THR A 45 8.446 -4.926 -3.577 1.00 0.39 N ATOM 652 CA THR A 45 8.173 -4.309 -2.287 1.00 0.34 C ATOM 653 C THR A 45 7.153 -3.179 -2.473 1.00 0.31 C ATOM 654 O THR A 45 6.988 -2.655 -3.574 1.00 0.37 O ATOM 655 CB THR A 45 9.515 -3.802 -1.733 1.00 0.40 C ATOM 656 OG1 THR A 45 10.418 -4.883 -1.673 1.00 0.69 O ATOM 657 CG2 THR A 45 9.417 -3.227 -0.325 1.00 0.54 C ATOM 0 H THR A 45 8.852 -4.278 -4.252 1.00 0.39 H new ATOM 0 HA THR A 45 7.740 -5.014 -1.577 1.00 0.34 H new ATOM 0 HB THR A 45 9.843 -3.007 -2.403 1.00 0.40 H new ATOM 0 HG1 THR A 45 10.666 -5.153 -2.582 1.00 0.69 H new ATOM 0 HG21 THR A 45 10.401 -2.890 -0.000 1.00 0.54 H new ATOM 0 HG22 THR A 45 8.726 -2.384 -0.323 1.00 0.54 H new ATOM 0 HG23 THR A 45 9.054 -3.995 0.357 1.00 0.54 H new ATOM 665 N VAL A 46 6.468 -2.772 -1.405 1.00 0.27 N ATOM 666 CA VAL A 46 5.603 -1.601 -1.391 1.00 0.24 C ATOM 667 C VAL A 46 5.987 -0.722 -0.201 1.00 0.19 C ATOM 668 O VAL A 46 6.381 -1.263 0.835 1.00 0.19 O ATOM 669 CB VAL A 46 4.131 -2.044 -1.401 1.00 0.27 C ATOM 670 CG1 VAL A 46 3.768 -2.979 -0.247 1.00 0.33 C ATOM 671 CG2 VAL A 46 3.198 -0.837 -1.361 1.00 0.33 C ATOM 0 H VAL A 46 6.502 -3.259 -0.509 1.00 0.27 H new ATOM 0 HA VAL A 46 5.735 -0.993 -2.286 1.00 0.24 H new ATOM 0 HB VAL A 46 4.002 -2.597 -2.332 1.00 0.27 H new ATOM 0 HG11 VAL A 46 2.715 -3.251 -0.317 1.00 0.33 H new ATOM 0 HG12 VAL A 46 4.380 -3.879 -0.302 1.00 0.33 H new ATOM 0 HG13 VAL A 46 3.950 -2.474 0.702 1.00 0.33 H new ATOM 0 HG21 VAL A 46 2.162 -1.177 -1.369 1.00 0.33 H new ATOM 0 HG22 VAL A 46 3.384 -0.263 -0.453 1.00 0.33 H new ATOM 0 HG23 VAL A 46 3.380 -0.208 -2.232 1.00 0.33 H new ATOM 681 N ASN A 47 5.922 0.609 -0.360 1.00 0.19 N ATOM 682 CA ASN A 47 6.286 1.569 0.672 1.00 0.18 C ATOM 683 C ASN A 47 5.185 2.613 0.756 1.00 0.24 C ATOM 684 O ASN A 47 4.850 3.206 -0.264 1.00 0.42 O ATOM 685 CB ASN A 47 7.602 2.277 0.320 1.00 0.24 C ATOM 686 CG ASN A 47 8.840 1.491 0.729 1.00 0.25 C ATOM 687 OD1 ASN A 47 9.615 1.048 -0.115 1.00 0.30 O ATOM 688 ND2 ASN A 47 9.062 1.355 2.033 1.00 0.25 N ATOM 0 H ASN A 47 5.609 1.047 -1.226 1.00 0.19 H new ATOM 0 HA ASN A 47 6.412 1.045 1.619 1.00 0.18 H new ATOM 0 HB2 ASN A 47 7.633 2.456 -0.755 1.00 0.24 H new ATOM 0 HB3 ASN A 47 7.623 3.252 0.807 1.00 0.24 H new ATOM 0 HD21 ASN A 47 9.898 0.870 2.360 1.00 0.25 H new ATOM 0 HD22 ASN A 47 8.397 1.736 2.706 1.00 0.25 H new ATOM 695 N VAL A 48 4.660 2.884 1.952 1.00 0.20 N ATOM 696 CA VAL A 48 3.512 3.746 2.134 1.00 0.23 C ATOM 697 C VAL A 48 3.904 4.747 3.210 1.00 0.23 C ATOM 698 O VAL A 48 4.432 4.348 4.250 1.00 0.24 O ATOM 699 CB VAL A 48 2.259 2.914 2.452 1.00 0.26 C ATOM 700 CG1 VAL A 48 2.449 1.961 3.641 1.00 1.75 C ATOM 701 CG2 VAL A 48 1.044 3.834 2.627 1.00 1.72 C ATOM 0 H VAL A 48 5.030 2.504 2.823 1.00 0.20 H new ATOM 0 HA VAL A 48 3.242 4.294 1.231 1.00 0.23 H new ATOM 0 HB VAL A 48 2.075 2.262 1.598 1.00 0.26 H new ATOM 0 HG11 VAL A 48 1.528 1.404 3.812 1.00 1.75 H new ATOM 0 HG12 VAL A 48 3.259 1.265 3.423 1.00 1.75 H new ATOM 0 HG13 VAL A 48 2.696 2.537 4.533 1.00 1.75 H new ATOM 0 HG21 VAL A 48 0.162 3.234 2.852 1.00 1.72 H new ATOM 0 HG22 VAL A 48 1.229 4.529 3.446 1.00 1.72 H new ATOM 0 HG23 VAL A 48 0.876 4.394 1.707 1.00 1.72 H new ATOM 711 N ILE A 49 3.718 6.034 2.905 1.00 0.25 N ATOM 712 CA ILE A 49 4.122 7.160 3.718 1.00 0.26 C ATOM 713 C ILE A 49 2.852 7.730 4.366 1.00 0.25 C ATOM 714 O ILE A 49 2.181 8.604 3.802 1.00 0.38 O ATOM 715 CB ILE A 49 4.839 8.224 2.857 1.00 0.32 C ATOM 716 CG1 ILE A 49 5.823 7.653 1.819 1.00 0.43 C ATOM 717 CG2 ILE A 49 5.520 9.260 3.759 1.00 0.39 C ATOM 718 CD1 ILE A 49 6.923 6.765 2.406 1.00 0.36 C ATOM 0 H ILE A 49 3.259 6.322 2.041 1.00 0.25 H new ATOM 0 HA ILE A 49 4.830 6.850 4.487 1.00 0.26 H new ATOM 0 HB ILE A 49 4.061 8.706 2.265 1.00 0.32 H new ATOM 0 HG12 ILE A 49 5.262 7.076 1.084 1.00 0.43 H new ATOM 0 HG13 ILE A 49 6.289 8.481 1.285 1.00 0.43 H new ATOM 0 HG21 ILE A 49 6.022 10.005 3.142 1.00 0.39 H new ATOM 0 HG22 ILE A 49 4.771 9.749 4.381 1.00 0.39 H new ATOM 0 HG23 ILE A 49 6.252 8.763 4.396 1.00 0.39 H new ATOM 0 HD11 ILE A 49 7.569 6.408 1.604 1.00 0.36 H new ATOM 0 HD12 ILE A 49 7.514 7.341 3.118 1.00 0.36 H new ATOM 0 HD13 ILE A 49 6.471 5.913 2.914 1.00 0.36 H new ATOM 730 N TYR A 50 2.491 7.205 5.539 1.00 0.21 N ATOM 731 CA TYR A 50 1.233 7.541 6.196 1.00 0.21 C ATOM 732 C TYR A 50 1.496 8.020 7.606 1.00 0.21 C ATOM 733 O TYR A 50 2.642 8.035 8.054 1.00 0.29 O ATOM 734 CB TYR A 50 0.244 6.367 6.156 1.00 0.22 C ATOM 735 CG TYR A 50 0.580 5.146 6.988 1.00 0.25 C ATOM 736 CD1 TYR A 50 0.282 5.117 8.363 1.00 1.66 C ATOM 737 CD2 TYR A 50 0.986 3.963 6.352 1.00 1.51 C ATOM 738 CE1 TYR A 50 0.553 3.965 9.116 1.00 1.72 C ATOM 739 CE2 TYR A 50 1.088 2.768 7.077 1.00 1.47 C ATOM 740 CZ TYR A 50 0.936 2.780 8.471 1.00 0.39 C ATOM 741 OH TYR A 50 1.195 1.656 9.198 1.00 0.53 O ATOM 0 H TYR A 50 3.063 6.537 6.056 1.00 0.21 H new ATOM 0 HA TYR A 50 0.761 8.356 5.648 1.00 0.21 H new ATOM 0 HB2 TYR A 50 -0.730 6.736 6.477 1.00 0.22 H new ATOM 0 HB3 TYR A 50 0.139 6.050 5.119 1.00 0.22 H new ATOM 0 HD1 TYR A 50 -0.156 5.982 8.839 1.00 1.66 H new ATOM 0 HD2 TYR A 50 1.221 3.973 5.298 1.00 1.51 H new ATOM 0 HE1 TYR A 50 0.467 3.991 10.192 1.00 1.72 H new ATOM 0 HE2 TYR A 50 1.283 1.839 6.563 1.00 1.47 H new ATOM 0 HH TYR A 50 1.239 0.882 8.599 1.00 0.53 H new ATOM 751 N ASP A 51 0.431 8.446 8.267 1.00 0.23 N ATOM 752 CA ASP A 51 0.448 9.018 9.594 1.00 0.26 C ATOM 753 C ASP A 51 -0.025 7.959 10.590 1.00 0.29 C ATOM 754 O ASP A 51 -1.236 7.743 10.698 1.00 0.44 O ATOM 755 CB ASP A 51 -0.448 10.268 9.626 1.00 0.44 C ATOM 756 CG ASP A 51 -0.015 11.364 8.658 1.00 2.59 C ATOM 757 OD1 ASP A 51 -0.079 11.125 7.432 1.00 4.20 O ATOM 758 OD2 ASP A 51 0.366 12.441 9.160 1.00 3.18 O ATOM 0 H ASP A 51 -0.508 8.398 7.871 1.00 0.23 H new ATOM 0 HA ASP A 51 1.457 9.326 9.869 1.00 0.26 H new ATOM 0 HB2 ASP A 51 -1.472 9.975 9.393 1.00 0.44 H new ATOM 0 HB3 ASP A 51 -0.454 10.673 10.638 1.00 0.44 H new ATOM 763 N PRO A 52 0.869 7.273 11.334 1.00 0.33 N ATOM 764 CA PRO A 52 0.471 6.198 12.234 1.00 0.42 C ATOM 765 C PRO A 52 -0.260 6.681 13.496 1.00 0.49 C ATOM 766 O PRO A 52 -0.431 5.901 14.430 1.00 0.59 O ATOM 767 CB PRO A 52 1.753 5.416 12.553 1.00 0.55 C ATOM 768 CG PRO A 52 2.826 6.496 12.444 1.00 0.61 C ATOM 769 CD PRO A 52 2.321 7.353 11.282 1.00 0.52 C ATOM 0 HA PRO A 52 -0.271 5.562 11.751 1.00 0.42 H new ATOM 0 HB2 PRO A 52 1.722 4.972 13.548 1.00 0.55 H new ATOM 0 HB3 PRO A 52 1.920 4.603 11.846 1.00 0.55 H new ATOM 0 HG2 PRO A 52 2.915 7.073 13.364 1.00 0.61 H new ATOM 0 HG3 PRO A 52 3.809 6.072 12.238 1.00 0.61 H new ATOM 0 HD2 PRO A 52 2.660 8.384 11.380 1.00 0.52 H new ATOM 0 HD3 PRO A 52 2.699 6.983 10.329 1.00 0.52 H new ATOM 777 N ALA A 53 -0.723 7.937 13.534 1.00 0.54 N ATOM 778 CA ALA A 53 -1.720 8.381 14.489 1.00 0.66 C ATOM 779 C ALA A 53 -3.108 7.987 13.977 1.00 0.57 C ATOM 780 O ALA A 53 -3.999 7.726 14.782 1.00 0.69 O ATOM 781 CB ALA A 53 -1.618 9.900 14.641 1.00 0.82 C ATOM 0 H ALA A 53 -0.409 8.669 12.897 1.00 0.54 H new ATOM 0 HA ALA A 53 -1.554 7.914 15.460 1.00 0.66 H new ATOM 0 HB1 ALA A 53 -2.364 10.245 15.357 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -0.623 10.164 14.998 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -1.795 10.375 13.676 1.00 0.82 H new ATOM 787 N GLU A 54 -3.276 7.946 12.647 1.00 0.44 N ATOM 788 CA GLU A 54 -4.572 7.868 12.000 1.00 0.44 C ATOM 789 C GLU A 54 -4.685 6.523 11.280 1.00 0.39 C ATOM 790 O GLU A 54 -5.533 5.705 11.632 1.00 0.50 O ATOM 791 CB GLU A 54 -4.751 9.066 11.048 1.00 0.49 C ATOM 792 CG GLU A 54 -5.902 9.983 11.484 1.00 0.72 C ATOM 793 CD GLU A 54 -5.646 10.671 12.822 1.00 2.53 C ATOM 794 OE1 GLU A 54 -4.461 10.939 13.117 1.00 3.77 O ATOM 795 OE2 GLU A 54 -6.652 10.933 13.516 1.00 3.43 O ATOM 0 H GLU A 54 -2.496 7.967 11.990 1.00 0.44 H new ATOM 0 HA GLU A 54 -5.376 7.923 12.734 1.00 0.44 H new ATOM 0 HB2 GLU A 54 -3.825 9.640 11.010 1.00 0.49 H new ATOM 0 HB3 GLU A 54 -4.941 8.701 10.039 1.00 0.49 H new ATOM 0 HG2 GLU A 54 -6.065 10.741 10.718 1.00 0.72 H new ATOM 0 HG3 GLU A 54 -6.819 9.398 11.553 1.00 0.72 H new ATOM 802 N THR A 55 -3.819 6.280 10.288 1.00 0.38 N ATOM 803 CA THR A 55 -3.567 4.944 9.780 1.00 0.40 C ATOM 804 C THR A 55 -2.674 4.085 10.653 1.00 0.42 C ATOM 805 O THR A 55 -2.273 4.440 11.755 1.00 0.45 O ATOM 806 CB THR A 55 -3.360 4.846 8.255 1.00 0.42 C ATOM 807 OG1 THR A 55 -2.900 6.074 7.780 1.00 0.51 O ATOM 808 CG2 THR A 55 -4.718 4.614 7.587 1.00 0.45 C ATOM 0 H THR A 55 -3.279 7.009 9.822 1.00 0.38 H new ATOM 0 HA THR A 55 -4.526 4.438 9.890 1.00 0.40 H new ATOM 0 HB THR A 55 -2.658 4.041 8.040 1.00 0.42 H new ATOM 0 HG1 THR A 55 -2.764 6.020 6.811 1.00 0.51 H new ATOM 0 HG21 THR A 55 -4.585 4.543 6.507 1.00 0.45 H new ATOM 0 HG22 THR A 55 -5.154 3.687 7.961 1.00 0.45 H new ATOM 0 HG23 THR A 55 -5.383 5.446 7.817 1.00 0.45 H new ATOM 816 N GLY A 56 -2.460 2.884 10.143 1.00 0.57 N ATOM 817 CA GLY A 56 -1.803 1.757 10.730 1.00 0.65 C ATOM 818 C GLY A 56 -1.895 0.706 9.632 1.00 1.09 C ATOM 819 O GLY A 56 -2.012 1.037 8.452 1.00 2.54 O ATOM 0 H GLY A 56 -2.784 2.664 9.201 1.00 0.57 H new ATOM 0 HA2 GLY A 56 -0.769 1.982 10.990 1.00 0.65 H new ATOM 0 HA3 GLY A 56 -2.298 1.431 11.645 1.00 0.65 H new ATOM 823 N THR A 57 -1.944 -0.554 10.021 1.00 0.53 N ATOM 824 CA THR A 57 -2.128 -1.679 9.134 1.00 0.71 C ATOM 825 C THR A 57 -3.576 -1.690 8.649 1.00 0.44 C ATOM 826 O THR A 57 -3.847 -2.021 7.498 1.00 0.43 O ATOM 827 CB THR A 57 -1.773 -2.921 9.950 1.00 1.13 C ATOM 828 OG1 THR A 57 -2.455 -2.841 11.189 1.00 1.29 O ATOM 829 CG2 THR A 57 -0.263 -2.926 10.230 1.00 1.32 C ATOM 0 H THR A 57 -1.853 -0.828 10.999 1.00 0.53 H new ATOM 0 HA THR A 57 -1.498 -1.635 8.245 1.00 0.71 H new ATOM 0 HB THR A 57 -2.054 -3.823 9.406 1.00 1.13 H new ATOM 0 HG1 THR A 57 -2.243 -3.630 11.730 1.00 1.29 H new ATOM 0 HG21 THR A 57 -0.004 -3.810 10.812 1.00 1.32 H new ATOM 0 HG22 THR A 57 0.282 -2.940 9.286 1.00 1.32 H new ATOM 0 HG23 THR A 57 0.006 -2.031 10.791 1.00 1.32 H new ATOM 837 N ALA A 58 -4.489 -1.314 9.552 1.00 0.40 N ATOM 838 CA ALA A 58 -5.929 -1.399 9.399 1.00 0.44 C ATOM 839 C ALA A 58 -6.415 -0.981 8.023 1.00 0.41 C ATOM 840 O ALA A 58 -6.977 -1.785 7.277 1.00 0.42 O ATOM 841 CB ALA A 58 -6.608 -0.576 10.500 1.00 0.55 C ATOM 0 H ALA A 58 -4.219 -0.923 10.454 1.00 0.40 H new ATOM 0 HA ALA A 58 -6.206 -2.449 9.499 1.00 0.44 H new ATOM 0 HB1 ALA A 58 -7.690 -0.639 10.386 1.00 0.55 H new ATOM 0 HB2 ALA A 58 -6.322 -0.968 11.476 1.00 0.55 H new ATOM 0 HB3 ALA A 58 -6.295 0.465 10.422 1.00 0.55 H new ATOM 847 N ALA A 59 -6.186 0.285 7.683 1.00 0.41 N ATOM 848 CA ALA A 59 -6.816 0.806 6.473 1.00 0.46 C ATOM 849 C ALA A 59 -6.139 0.197 5.262 1.00 0.44 C ATOM 850 O ALA A 59 -6.787 -0.122 4.271 1.00 0.46 O ATOM 851 CB ALA A 59 -6.766 2.324 6.392 1.00 0.62 C ATOM 0 H ALA A 59 -5.599 0.941 8.198 1.00 0.41 H new ATOM 0 HA ALA A 59 -7.870 0.529 6.501 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -7.249 2.655 5.473 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -7.286 2.751 7.249 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -5.727 2.655 6.396 1.00 0.62 H new ATOM 857 N ILE A 60 -4.817 0.057 5.366 1.00 0.44 N ATOM 858 CA ILE A 60 -3.992 -0.522 4.337 1.00 0.44 C ATOM 859 C ILE A 60 -4.522 -1.900 3.971 1.00 0.40 C ATOM 860 O ILE A 60 -4.834 -2.117 2.809 1.00 0.41 O ATOM 861 CB ILE A 60 -2.514 -0.473 4.775 1.00 0.46 C ATOM 862 CG1 ILE A 60 -1.904 0.850 4.290 1.00 0.54 C ATOM 863 CG2 ILE A 60 -1.669 -1.615 4.201 1.00 0.49 C ATOM 864 CD1 ILE A 60 -2.275 2.073 5.136 1.00 0.77 C ATOM 0 H ILE A 60 -4.292 0.353 6.189 1.00 0.44 H new ATOM 0 HA ILE A 60 -4.037 0.054 3.413 1.00 0.44 H new ATOM 0 HB ILE A 60 -2.503 -0.567 5.861 1.00 0.46 H new ATOM 0 HG12 ILE A 60 -0.819 0.751 4.276 1.00 0.54 H new ATOM 0 HG13 ILE A 60 -2.222 1.026 3.262 1.00 0.54 H new ATOM 0 HG21 ILE A 60 -0.641 -1.518 4.550 1.00 0.49 H new ATOM 0 HG22 ILE A 60 -2.076 -2.571 4.532 1.00 0.49 H new ATOM 0 HG23 ILE A 60 -1.688 -1.570 3.112 1.00 0.49 H new ATOM 0 HD11 ILE A 60 -1.800 2.961 4.720 1.00 0.77 H new ATOM 0 HD12 ILE A 60 -3.357 2.204 5.131 1.00 0.77 H new ATOM 0 HD13 ILE A 60 -1.932 1.925 6.160 1.00 0.77 H new ATOM 876 N GLN A 61 -4.662 -2.817 4.930 1.00 0.38 N ATOM 877 CA GLN A 61 -5.093 -4.174 4.621 1.00 0.37 C ATOM 878 C GLN A 61 -6.526 -4.156 4.060 1.00 0.34 C ATOM 879 O GLN A 61 -6.790 -4.786 3.035 1.00 0.34 O ATOM 880 CB GLN A 61 -4.962 -5.083 5.851 1.00 0.44 C ATOM 881 CG GLN A 61 -3.946 -6.232 5.691 1.00 0.47 C ATOM 882 CD GLN A 61 -2.753 -6.105 6.637 1.00 0.68 C ATOM 883 OE1 GLN A 61 -2.409 -7.043 7.346 1.00 1.13 O ATOM 884 NE2 GLN A 61 -2.101 -4.945 6.664 1.00 0.83 N ATOM 0 H GLN A 61 -4.484 -2.643 5.919 1.00 0.38 H new ATOM 0 HA GLN A 61 -4.442 -4.590 3.852 1.00 0.37 H new ATOM 0 HB2 GLN A 61 -4.672 -4.475 6.708 1.00 0.44 H new ATOM 0 HB3 GLN A 61 -5.939 -5.508 6.079 1.00 0.44 H new ATOM 0 HG2 GLN A 61 -4.448 -7.182 5.873 1.00 0.47 H new ATOM 0 HG3 GLN A 61 -3.587 -6.253 4.662 1.00 0.47 H new ATOM 0 HE21 GLN A 61 -2.403 -4.176 6.066 1.00 0.83 H new ATOM 0 HE22 GLN A 61 -1.299 -4.825 7.283 1.00 0.83 H new ATOM 893 N GLU A 62 -7.433 -3.408 4.707 1.00 0.34 N ATOM 894 CA GLU A 62 -8.806 -3.224 4.232 1.00 0.35 C ATOM 895 C GLU A 62 -8.820 -2.873 2.742 1.00 0.36 C ATOM 896 O GLU A 62 -9.429 -3.544 1.906 1.00 0.39 O ATOM 897 CB GLU A 62 -9.461 -2.093 5.047 1.00 0.38 C ATOM 898 CG GLU A 62 -10.151 -2.619 6.311 1.00 0.64 C ATOM 899 CD GLU A 62 -11.527 -3.219 6.030 1.00 1.64 C ATOM 900 OE1 GLU A 62 -11.903 -3.275 4.837 1.00 2.63 O ATOM 901 OE2 GLU A 62 -12.189 -3.585 7.022 1.00 2.35 O ATOM 0 H GLU A 62 -7.231 -2.914 5.576 1.00 0.34 H new ATOM 0 HA GLU A 62 -9.363 -4.152 4.365 1.00 0.35 H new ATOM 0 HB2 GLU A 62 -8.703 -1.362 5.326 1.00 0.38 H new ATOM 0 HB3 GLU A 62 -10.191 -1.574 4.425 1.00 0.38 H new ATOM 0 HG2 GLU A 62 -9.519 -3.375 6.776 1.00 0.64 H new ATOM 0 HG3 GLU A 62 -10.255 -1.805 7.028 1.00 0.64 H new ATOM 908 N LYS A 63 -8.130 -1.787 2.405 1.00 0.35 N ATOM 909 CA LYS A 63 -8.085 -1.279 1.062 1.00 0.37 C ATOM 910 C LYS A 63 -7.329 -2.208 0.128 1.00 0.35 C ATOM 911 O LYS A 63 -7.728 -2.336 -1.022 1.00 0.40 O ATOM 912 CB LYS A 63 -7.480 0.115 1.108 1.00 0.39 C ATOM 913 CG LYS A 63 -8.593 1.133 1.367 1.00 0.44 C ATOM 914 CD LYS A 63 -9.342 1.513 0.080 1.00 0.70 C ATOM 915 CE LYS A 63 -8.494 2.499 -0.734 1.00 2.85 C ATOM 916 NZ LYS A 63 -8.829 2.534 -2.167 1.00 3.77 N ATOM 0 H LYS A 63 -7.586 -1.239 3.072 1.00 0.35 H new ATOM 0 HA LYS A 63 -9.094 -1.223 0.653 1.00 0.37 H new ATOM 0 HB2 LYS A 63 -6.727 0.173 1.894 1.00 0.39 H new ATOM 0 HB3 LYS A 63 -6.977 0.338 0.167 1.00 0.39 H new ATOM 0 HG2 LYS A 63 -9.299 0.721 2.088 1.00 0.44 H new ATOM 0 HG3 LYS A 63 -8.166 2.030 1.815 1.00 0.44 H new ATOM 0 HD2 LYS A 63 -9.548 0.620 -0.511 1.00 0.70 H new ATOM 0 HD3 LYS A 63 -10.305 1.962 0.326 1.00 0.70 H new ATOM 0 HE2 LYS A 63 -8.618 3.499 -0.318 1.00 2.85 H new ATOM 0 HE3 LYS A 63 -7.442 2.235 -0.623 1.00 2.85 H new ATOM 0 HZ1 LYS A 63 -8.193 3.196 -2.656 1.00 3.77 H new ATOM 0 HZ2 LYS A 63 -8.717 1.583 -2.573 1.00 3.77 H new ATOM 0 HZ3 LYS A 63 -9.813 2.848 -2.286 1.00 3.77 H new ATOM 930 N ILE A 64 -6.255 -2.840 0.595 1.00 0.31 N ATOM 931 CA ILE A 64 -5.483 -3.802 -0.164 1.00 0.29 C ATOM 932 C ILE A 64 -6.455 -4.862 -0.714 1.00 0.29 C ATOM 933 O ILE A 64 -6.523 -5.093 -1.923 1.00 0.29 O ATOM 934 CB ILE A 64 -4.400 -4.371 0.764 1.00 0.31 C ATOM 935 CG1 ILE A 64 -3.115 -3.537 0.681 1.00 0.32 C ATOM 936 CG2 ILE A 64 -4.128 -5.861 0.606 1.00 0.35 C ATOM 937 CD1 ILE A 64 -2.306 -3.830 -0.579 1.00 0.38 C ATOM 0 H ILE A 64 -5.894 -2.689 1.537 1.00 0.31 H new ATOM 0 HA ILE A 64 -4.973 -3.363 -1.021 1.00 0.29 H new ATOM 0 HB ILE A 64 -4.810 -4.286 1.770 1.00 0.31 H new ATOM 0 HG12 ILE A 64 -3.371 -2.478 0.706 1.00 0.32 H new ATOM 0 HG13 ILE A 64 -2.499 -3.736 1.558 1.00 0.32 H new ATOM 0 HG21 ILE A 64 -3.348 -6.165 1.305 1.00 0.35 H new ATOM 0 HG22 ILE A 64 -5.040 -6.421 0.814 1.00 0.35 H new ATOM 0 HG23 ILE A 64 -3.801 -6.065 -0.414 1.00 0.35 H new ATOM 0 HD11 ILE A 64 -1.408 -3.213 -0.586 1.00 0.38 H new ATOM 0 HD12 ILE A 64 -2.023 -4.883 -0.593 1.00 0.38 H new ATOM 0 HD13 ILE A 64 -2.908 -3.604 -1.459 1.00 0.38 H new ATOM 949 N GLU A 65 -7.254 -5.450 0.187 1.00 0.31 N ATOM 950 CA GLU A 65 -8.281 -6.422 -0.157 1.00 0.34 C ATOM 951 C GLU A 65 -9.297 -5.806 -1.121 1.00 0.35 C ATOM 952 O GLU A 65 -9.503 -6.323 -2.216 1.00 0.37 O ATOM 953 CB GLU A 65 -8.963 -6.926 1.124 1.00 0.39 C ATOM 954 CG GLU A 65 -8.109 -7.969 1.854 1.00 0.50 C ATOM 955 CD GLU A 65 -8.298 -9.373 1.283 1.00 0.76 C ATOM 956 OE1 GLU A 65 -9.463 -9.827 1.287 1.00 1.81 O ATOM 957 OE2 GLU A 65 -7.282 -9.967 0.867 1.00 1.93 O ATOM 0 H GLU A 65 -7.198 -5.256 1.187 1.00 0.31 H new ATOM 0 HA GLU A 65 -7.821 -7.272 -0.661 1.00 0.34 H new ATOM 0 HB2 GLU A 65 -9.154 -6.084 1.789 1.00 0.39 H new ATOM 0 HB3 GLU A 65 -9.931 -7.360 0.873 1.00 0.39 H new ATOM 0 HG2 GLU A 65 -7.058 -7.689 1.784 1.00 0.50 H new ATOM 0 HG3 GLU A 65 -8.368 -7.971 2.913 1.00 0.50 H new ATOM 964 N LYS A 66 -9.927 -4.690 -0.739 1.00 0.36 N ATOM 965 CA LYS A 66 -10.942 -4.032 -1.566 1.00 0.41 C ATOM 966 C LYS A 66 -10.448 -3.696 -2.981 1.00 0.42 C ATOM 967 O LYS A 66 -11.220 -3.766 -3.935 1.00 0.48 O ATOM 968 CB LYS A 66 -11.450 -2.774 -0.846 1.00 0.49 C ATOM 969 CG LYS A 66 -12.646 -3.080 0.068 1.00 0.67 C ATOM 970 CD LYS A 66 -13.964 -2.711 -0.632 1.00 1.85 C ATOM 971 CE LYS A 66 -14.217 -1.196 -0.531 1.00 3.25 C ATOM 972 NZ LYS A 66 -15.323 -0.750 -1.403 1.00 4.70 N ATOM 0 H LYS A 66 -9.748 -4.220 0.148 1.00 0.36 H new ATOM 0 HA LYS A 66 -11.762 -4.738 -1.700 1.00 0.41 H new ATOM 0 HB2 LYS A 66 -10.642 -2.343 -0.255 1.00 0.49 H new ATOM 0 HB3 LYS A 66 -11.739 -2.025 -1.584 1.00 0.49 H new ATOM 0 HG2 LYS A 66 -12.650 -4.138 0.330 1.00 0.67 H new ATOM 0 HG3 LYS A 66 -12.553 -2.521 0.999 1.00 0.67 H new ATOM 0 HD2 LYS A 66 -13.924 -3.011 -1.679 1.00 1.85 H new ATOM 0 HD3 LYS A 66 -14.791 -3.256 -0.176 1.00 1.85 H new ATOM 0 HE2 LYS A 66 -14.446 -0.937 0.503 1.00 3.25 H new ATOM 0 HE3 LYS A 66 -13.307 -0.660 -0.800 1.00 3.25 H new ATOM 0 HZ1 LYS A 66 -15.454 0.276 -1.300 1.00 4.70 H new ATOM 0 HZ2 LYS A 66 -15.095 -0.972 -2.393 1.00 4.70 H new ATOM 0 HZ3 LYS A 66 -16.199 -1.240 -1.131 1.00 4.70 H new ATOM 986 N LEU A 67 -9.185 -3.293 -3.119 1.00 0.39 N ATOM 987 CA LEU A 67 -8.539 -3.020 -4.398 1.00 0.41 C ATOM 988 C LEU A 67 -8.273 -4.306 -5.190 1.00 0.41 C ATOM 989 O LEU A 67 -8.042 -4.235 -6.396 1.00 0.45 O ATOM 990 CB LEU A 67 -7.254 -2.210 -4.166 1.00 0.40 C ATOM 991 CG LEU A 67 -7.561 -0.729 -3.869 1.00 0.49 C ATOM 992 CD1 LEU A 67 -6.474 -0.098 -2.990 1.00 0.46 C ATOM 993 CD2 LEU A 67 -7.693 0.060 -5.181 1.00 0.65 C ATOM 0 H LEU A 67 -8.568 -3.144 -2.321 1.00 0.39 H new ATOM 0 HA LEU A 67 -9.217 -2.424 -5.009 1.00 0.41 H new ATOM 0 HB2 LEU A 67 -6.697 -2.641 -3.334 1.00 0.40 H new ATOM 0 HB3 LEU A 67 -6.615 -2.280 -5.047 1.00 0.40 H new ATOM 0 HG LEU A 67 -8.505 -0.688 -3.325 1.00 0.49 H new ATOM 0 HD11 LEU A 67 -6.721 0.946 -2.799 1.00 0.46 H new ATOM 0 HD12 LEU A 67 -6.414 -0.635 -2.044 1.00 0.46 H new ATOM 0 HD13 LEU A 67 -5.513 -0.156 -3.502 1.00 0.46 H new ATOM 0 HD21 LEU A 67 -7.910 1.105 -4.957 1.00 0.65 H new ATOM 0 HD22 LEU A 67 -6.760 -0.005 -5.740 1.00 0.65 H new ATOM 0 HD23 LEU A 67 -8.503 -0.359 -5.778 1.00 0.65 H new ATOM 1005 N GLY A 68 -8.291 -5.467 -4.530 1.00 0.40 N ATOM 1006 CA GLY A 68 -8.125 -6.771 -5.150 1.00 0.42 C ATOM 1007 C GLY A 68 -6.665 -7.208 -5.109 1.00 0.38 C ATOM 1008 O GLY A 68 -6.147 -7.697 -6.110 1.00 0.39 O ATOM 0 H GLY A 68 -8.426 -5.520 -3.520 1.00 0.40 H new ATOM 0 HA2 GLY A 68 -8.744 -7.505 -4.634 1.00 0.42 H new ATOM 0 HA3 GLY A 68 -8.469 -6.734 -6.184 1.00 0.42 H new ATOM 1012 N TYR A 69 -6.000 -7.024 -3.964 1.00 0.37 N ATOM 1013 CA TYR A 69 -4.587 -7.322 -3.786 1.00 0.34 C ATOM 1014 C TYR A 69 -4.340 -7.953 -2.420 1.00 0.33 C ATOM 1015 O TYR A 69 -5.240 -7.978 -1.585 1.00 0.34 O ATOM 1016 CB TYR A 69 -3.803 -6.015 -3.911 1.00 0.33 C ATOM 1017 CG TYR A 69 -2.923 -6.016 -5.130 1.00 0.35 C ATOM 1018 CD1 TYR A 69 -3.480 -5.768 -6.396 1.00 1.67 C ATOM 1019 CD2 TYR A 69 -1.563 -6.341 -5.008 1.00 1.79 C ATOM 1020 CE1 TYR A 69 -2.645 -5.681 -7.516 1.00 1.67 C ATOM 1021 CE2 TYR A 69 -0.732 -6.261 -6.133 1.00 1.81 C ATOM 1022 CZ TYR A 69 -1.271 -5.927 -7.385 1.00 0.44 C ATOM 1023 OH TYR A 69 -0.450 -5.767 -8.453 1.00 0.52 O ATOM 0 H TYR A 69 -6.443 -6.656 -3.122 1.00 0.37 H new ATOM 0 HA TYR A 69 -4.261 -8.032 -4.546 1.00 0.34 H new ATOM 0 HB2 TYR A 69 -4.497 -5.176 -3.963 1.00 0.33 H new ATOM 0 HB3 TYR A 69 -3.192 -5.869 -3.020 1.00 0.33 H new ATOM 0 HD1 TYR A 69 -4.547 -5.645 -6.504 1.00 1.67 H new ATOM 0 HD2 TYR A 69 -1.161 -6.650 -4.055 1.00 1.79 H new ATOM 0 HE1 TYR A 69 -3.059 -5.425 -8.480 1.00 1.67 H new ATOM 0 HE2 TYR A 69 0.326 -6.457 -6.037 1.00 1.81 H new ATOM 0 HH TYR A 69 -0.987 -5.674 -9.267 1.00 0.52 H new ATOM 1033 N HIS A 70 -3.106 -8.414 -2.179 1.00 0.34 N ATOM 1034 CA HIS A 70 -2.678 -8.922 -0.883 1.00 0.36 C ATOM 1035 C HIS A 70 -1.250 -8.443 -0.604 1.00 0.34 C ATOM 1036 O HIS A 70 -0.318 -8.789 -1.328 1.00 0.64 O ATOM 1037 CB HIS A 70 -2.794 -10.450 -0.878 1.00 0.51 C ATOM 1038 CG HIS A 70 -2.646 -11.107 0.477 1.00 0.81 C ATOM 1039 ND1 HIS A 70 -1.919 -10.654 1.558 1.00 1.90 N ATOM 1040 CD2 HIS A 70 -3.212 -12.299 0.843 1.00 1.66 C ATOM 1041 CE1 HIS A 70 -2.043 -11.558 2.542 1.00 1.78 C ATOM 1042 NE2 HIS A 70 -2.815 -12.585 2.153 1.00 1.54 N ATOM 0 H HIS A 70 -2.375 -8.442 -2.889 1.00 0.34 H new ATOM 0 HA HIS A 70 -3.315 -8.542 -0.085 1.00 0.36 H new ATOM 0 HB2 HIS A 70 -3.764 -10.725 -1.293 1.00 0.51 H new ATOM 0 HB3 HIS A 70 -2.035 -10.857 -1.546 1.00 0.51 H new ATOM 0 HD1 HIS A 70 -1.383 -9.787 1.602 1.00 1.90 H new ATOM 0 HD2 HIS A 70 -3.853 -12.912 0.227 1.00 1.66 H new ATOM 0 HE1 HIS A 70 -1.584 -11.471 3.516 1.00 1.78 H new ATOM 1050 N VAL A 71 -1.074 -7.658 0.462 1.00 0.40 N ATOM 1051 CA VAL A 71 0.234 -7.254 0.963 1.00 0.42 C ATOM 1052 C VAL A 71 0.673 -8.279 2.012 1.00 0.45 C ATOM 1053 O VAL A 71 -0.183 -8.853 2.684 1.00 0.56 O ATOM 1054 CB VAL A 71 0.149 -5.819 1.514 1.00 0.53 C ATOM 1055 CG1 VAL A 71 -0.548 -5.714 2.879 1.00 1.40 C ATOM 1056 CG2 VAL A 71 1.537 -5.195 1.601 1.00 1.34 C ATOM 0 H VAL A 71 -1.850 -7.282 1.006 1.00 0.40 H new ATOM 0 HA VAL A 71 0.985 -7.238 0.174 1.00 0.42 H new ATOM 0 HB VAL A 71 -0.470 -5.270 0.804 1.00 0.53 H new ATOM 0 HG11 VAL A 71 -0.568 -4.672 3.198 1.00 1.40 H new ATOM 0 HG12 VAL A 71 -1.569 -6.087 2.796 1.00 1.40 H new ATOM 0 HG13 VAL A 71 -0.003 -6.308 3.613 1.00 1.40 H new ATOM 0 HG21 VAL A 71 1.456 -4.181 1.993 1.00 1.34 H new ATOM 0 HG22 VAL A 71 2.163 -5.791 2.265 1.00 1.34 H new ATOM 0 HG23 VAL A 71 1.986 -5.166 0.608 1.00 1.34 H new ATOM 1066 N VAL A 72 1.975 -8.542 2.140 1.00 0.42 N ATOM 1067 CA VAL A 72 2.537 -9.492 3.091 1.00 0.48 C ATOM 1068 C VAL A 72 3.551 -8.764 3.968 1.00 0.47 C ATOM 1069 O VAL A 72 4.290 -7.905 3.494 1.00 0.42 O ATOM 1070 CB VAL A 72 3.165 -10.684 2.368 1.00 0.49 C ATOM 1071 CG1 VAL A 72 3.663 -11.751 3.353 1.00 0.59 C ATOM 1072 CG2 VAL A 72 2.172 -11.334 1.397 1.00 0.61 C ATOM 0 H VAL A 72 2.684 -8.085 1.567 1.00 0.42 H new ATOM 0 HA VAL A 72 1.745 -9.894 3.723 1.00 0.48 H new ATOM 0 HB VAL A 72 4.015 -10.291 1.811 1.00 0.49 H new ATOM 0 HG11 VAL A 72 4.102 -12.581 2.799 1.00 0.59 H new ATOM 0 HG12 VAL A 72 4.415 -11.316 4.011 1.00 0.59 H new ATOM 0 HG13 VAL A 72 2.826 -12.115 3.949 1.00 0.59 H new ATOM 0 HG21 VAL A 72 2.649 -12.178 0.899 1.00 0.61 H new ATOM 0 HG22 VAL A 72 1.300 -11.684 1.949 1.00 0.61 H new ATOM 0 HG23 VAL A 72 1.860 -10.602 0.652 1.00 0.61 H new ATOM 1082 N ILE A 73 3.580 -9.106 5.254 1.00 0.58 N ATOM 1083 CA ILE A 73 4.380 -8.424 6.261 1.00 0.66 C ATOM 1084 C ILE A 73 5.551 -9.333 6.648 1.00 0.71 C ATOM 1085 O ILE A 73 5.534 -9.985 7.686 1.00 0.75 O ATOM 1086 CB ILE A 73 3.502 -7.962 7.443 1.00 0.79 C ATOM 1087 CG1 ILE A 73 2.479 -6.902 6.998 1.00 1.09 C ATOM 1088 CG2 ILE A 73 4.331 -7.285 8.540 1.00 0.83 C ATOM 1089 CD1 ILE A 73 1.163 -7.507 6.532 1.00 1.36 C ATOM 0 H ILE A 73 3.035 -9.882 5.630 1.00 0.58 H new ATOM 0 HA ILE A 73 4.808 -7.503 5.866 1.00 0.66 H new ATOM 0 HB ILE A 73 3.018 -8.866 7.812 1.00 0.79 H new ATOM 0 HG12 ILE A 73 2.286 -6.220 7.826 1.00 1.09 H new ATOM 0 HG13 ILE A 73 2.907 -6.309 6.190 1.00 1.09 H new ATOM 0 HG21 ILE A 73 3.675 -6.975 9.353 1.00 0.83 H new ATOM 0 HG22 ILE A 73 5.073 -7.987 8.920 1.00 0.83 H new ATOM 0 HG23 ILE A 73 4.835 -6.411 8.128 1.00 0.83 H new ATOM 0 HD11 ILE A 73 0.483 -6.710 6.231 1.00 1.36 H new ATOM 0 HD12 ILE A 73 1.346 -8.167 5.684 1.00 1.36 H new ATOM 0 HD13 ILE A 73 0.716 -8.077 7.346 1.00 1.36 H new