USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.0215 (180deg=-0.17) USER MOD Single : A 5 GLN : amide:sc= -0.561 K(o=-0.56,f=-0.031) USER MOD Single : A 6 TYR OH : rot 96:sc= 0.0245 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 8 GLN : amide:sc= -2! C(o=-2!,f=-4.9!) USER MOD Single : A 12 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.361) USER MOD Single : A 14 MET CE :methyl -163:sc= -0.0785 (180deg=-0.496) USER MOD Single : A 21 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.3!) USER MOD Single : A 27 HIS : no HE2:sc= -0.702 K(o=-0.7,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.964) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.39) USER MOD Single : A 38 ASN : amide:sc= -0.82 K(o=-0.82,f=-4.2!) USER MOD Single : A 42 SER OG : rot 66:sc= 1.11 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0573 (180deg=-0.395) USER MOD Single : A 57 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.16) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00703 USER MOD Single : A 63 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.032) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 74 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.16) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.235 7.994 -1.088 1.00 0.00 N ATOM 11 CA ILE A 3 -7.916 7.438 -1.504 1.00 0.00 C ATOM 12 C ILE A 3 -7.394 7.965 -2.882 1.00 0.00 C ATOM 13 O ILE A 3 -6.296 8.501 -2.965 1.00 0.00 O ATOM 14 CB ILE A 3 -7.841 5.849 -1.363 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.456 5.385 -0.835 1.00 0.00 C ATOM 16 CG2 ILE A 3 -8.193 5.100 -2.661 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.285 5.640 -1.752 1.00 0.00 C ATOM 0 HA ILE A 3 -7.206 7.840 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.605 5.589 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.265 5.884 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.506 4.316 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.121 4.026 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.209 5.353 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.498 5.390 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.370 5.277 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.442 5.118 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.196 6.710 -1.940 1.00 0.00 H new ATOM 29 N LYS A 4 -8.229 7.916 -3.890 1.00 0.00 N ATOM 30 CA LYS A 4 -7.907 8.219 -5.288 1.00 0.00 C ATOM 31 C LYS A 4 -7.886 9.752 -5.534 1.00 0.00 C ATOM 32 O LYS A 4 -8.116 10.236 -6.636 1.00 0.00 O ATOM 33 CB LYS A 4 -8.993 7.503 -6.116 1.00 0.00 C ATOM 34 CG LYS A 4 -8.809 7.442 -7.621 1.00 0.00 C ATOM 35 CD LYS A 4 -9.868 6.521 -8.216 1.00 0.00 C ATOM 36 CE LYS A 4 -9.781 6.421 -9.724 1.00 0.00 C ATOM 37 NZ LYS A 4 -8.436 6.034 -10.186 1.00 0.00 N ATOM 0 H LYS A 4 -9.206 7.651 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.912 7.873 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.076 6.481 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.946 7.993 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.894 8.440 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.812 7.074 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.761 5.526 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.857 6.885 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.508 5.691 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.051 7.380 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.464 5.831 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.770 6.812 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.123 5.185 -9.673 1.00 0.00 H new ATOM 51 N GLN A 5 -7.545 10.484 -4.502 1.00 0.00 N ATOM 52 CA GLN A 5 -7.510 11.933 -4.536 1.00 0.00 C ATOM 53 C GLN A 5 -6.450 12.468 -3.577 1.00 0.00 C ATOM 54 O GLN A 5 -6.420 13.658 -3.262 1.00 0.00 O ATOM 55 CB GLN A 5 -8.888 12.494 -4.152 1.00 0.00 C ATOM 56 CG GLN A 5 -9.431 11.944 -2.830 1.00 0.00 C ATOM 57 CD GLN A 5 -10.764 12.543 -2.398 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.046 12.638 -1.200 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.591 12.928 -3.333 1.00 0.00 N ATOM 0 H GLN A 5 -7.279 10.088 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.256 12.251 -5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.822 13.580 -4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.597 12.267 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.544 10.864 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.695 12.124 -2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.329 12.837 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.498 13.320 -3.081 1.00 0.00 H new ATOM 68 N TYR A 6 -5.571 11.602 -3.114 1.00 0.00 N ATOM 69 CA TYR A 6 -4.582 12.026 -2.131 1.00 0.00 C ATOM 70 C TYR A 6 -3.253 12.326 -2.784 1.00 0.00 C ATOM 71 O TYR A 6 -2.887 11.713 -3.784 1.00 0.00 O ATOM 72 CB TYR A 6 -4.393 10.990 -1.016 1.00 0.00 C ATOM 73 CG TYR A 6 -5.650 10.627 -0.243 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.772 11.449 -0.251 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.721 9.439 0.466 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.915 11.101 0.421 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.869 9.081 1.135 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.962 9.920 1.107 1.00 0.00 C ATOM 79 OH TYR A 6 -9.121 9.552 1.730 1.00 0.00 O ATOM 0 H TYR A 6 -5.516 10.622 -3.391 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.968 12.940 -1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.981 10.081 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.651 11.369 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.742 12.380 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.863 8.784 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.773 11.756 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.913 8.149 1.678 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.633 8.956 1.144 1.00 0.00 H new ATOM 89 N SER A 7 -2.541 13.254 -2.206 1.00 0.00 N ATOM 90 CA SER A 7 -1.264 13.667 -2.700 1.00 0.00 C ATOM 91 C SER A 7 -0.160 12.875 -1.955 1.00 0.00 C ATOM 92 O SER A 7 -0.459 12.054 -1.064 1.00 0.00 O ATOM 93 CB SER A 7 -1.130 15.197 -2.504 1.00 0.00 C ATOM 94 OG SER A 7 0.042 15.738 -3.101 1.00 0.00 O ATOM 0 H SER A 7 -2.840 13.750 -1.366 1.00 0.00 H new ATOM 0 HA SER A 7 -1.159 13.457 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.006 15.689 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.123 15.421 -1.437 1.00 0.00 H new ATOM 0 HG SER A 7 0.071 16.705 -2.946 1.00 0.00 H new ATOM 100 N GLN A 8 1.079 13.141 -2.292 1.00 0.00 N ATOM 101 CA GLN A 8 2.231 12.414 -1.783 1.00 0.00 C ATOM 102 C GLN A 8 2.365 12.354 -0.269 1.00 0.00 C ATOM 103 O GLN A 8 2.539 11.275 0.252 1.00 0.00 O ATOM 104 CB GLN A 8 3.497 12.934 -2.390 1.00 0.00 C ATOM 105 CG GLN A 8 3.684 12.533 -3.823 1.00 0.00 C ATOM 106 CD GLN A 8 4.909 13.164 -4.462 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.513 12.602 -5.339 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.278 14.327 -4.034 1.00 0.00 N ATOM 0 H GLN A 8 1.327 13.886 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 8 2.051 11.384 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.503 14.022 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.345 12.574 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.768 11.448 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.798 12.816 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.753 14.787 -3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.094 14.785 -4.440 1.00 0.00 H new ATOM 117 N GLU A 9 2.276 13.486 0.425 1.00 0.00 N ATOM 118 CA GLU A 9 2.447 13.542 1.900 1.00 0.00 C ATOM 119 C GLU A 9 1.539 12.551 2.579 1.00 0.00 C ATOM 120 O GLU A 9 1.939 11.827 3.491 1.00 0.00 O ATOM 121 CB GLU A 9 2.116 14.935 2.472 1.00 0.00 C ATOM 122 CG GLU A 9 2.988 16.080 1.995 1.00 0.00 C ATOM 123 CD GLU A 9 2.771 16.458 0.557 1.00 0.00 C ATOM 124 OE1 GLU A 9 1.715 16.120 -0.007 1.00 0.00 O ATOM 125 OE2 GLU A 9 3.646 17.118 -0.025 1.00 0.00 O ATOM 0 H GLU A 9 2.085 14.392 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 9 3.494 13.309 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.080 15.168 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.183 14.884 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.799 16.952 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.034 15.808 2.134 1.00 0.00 H new ATOM 132 N GLU A 10 0.334 12.524 2.102 1.00 0.00 N ATOM 133 CA GLU A 10 -0.707 11.676 2.625 1.00 0.00 C ATOM 134 C GLU A 10 -0.322 10.203 2.433 1.00 0.00 C ATOM 135 O GLU A 10 -0.187 9.434 3.391 1.00 0.00 O ATOM 136 CB GLU A 10 -1.979 11.945 1.821 1.00 0.00 C ATOM 137 CG GLU A 10 -3.242 11.379 2.438 1.00 0.00 C ATOM 138 CD GLU A 10 -3.692 12.176 3.633 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.043 12.124 4.682 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.703 12.899 3.521 1.00 0.00 O ATOM 0 H GLU A 10 0.033 13.103 1.318 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.855 11.880 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.098 13.022 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.858 11.526 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.036 11.366 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.068 10.345 2.736 1.00 0.00 H new ATOM 147 N LEU A 11 -0.044 9.870 1.194 1.00 0.00 N ATOM 148 CA LEU A 11 0.205 8.506 0.774 1.00 0.00 C ATOM 149 C LEU A 11 1.540 7.955 1.282 1.00 0.00 C ATOM 150 O LEU A 11 1.650 6.774 1.593 1.00 0.00 O ATOM 151 CB LEU A 11 0.122 8.434 -0.734 1.00 0.00 C ATOM 152 CG LEU A 11 -1.219 8.871 -1.340 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.109 9.004 -2.843 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.311 7.873 -0.984 1.00 0.00 C ATOM 0 H LEU A 11 0.017 10.549 0.435 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.561 7.872 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.912 9.056 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.325 7.409 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.480 9.844 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.070 9.315 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.353 9.750 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.825 8.044 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.256 8.196 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.048 6.890 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.413 7.816 0.100 1.00 0.00 H new ATOM 166 N LYS A 12 2.532 8.823 1.373 1.00 0.00 N ATOM 167 CA LYS A 12 3.868 8.475 1.876 1.00 0.00 C ATOM 168 C LYS A 12 3.817 8.015 3.331 1.00 0.00 C ATOM 169 O LYS A 12 4.561 7.112 3.736 1.00 0.00 O ATOM 170 CB LYS A 12 4.801 9.703 1.768 1.00 0.00 C ATOM 171 CG LYS A 12 5.418 9.980 0.392 1.00 0.00 C ATOM 172 CD LYS A 12 6.623 9.087 0.100 1.00 0.00 C ATOM 173 CE LYS A 12 7.329 9.511 -1.193 1.00 0.00 C ATOM 174 NZ LYS A 12 8.593 8.777 -1.424 1.00 0.00 N ATOM 0 H LYS A 12 2.441 9.801 1.099 1.00 0.00 H new ATOM 0 HA LYS A 12 4.249 7.655 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.238 10.586 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.612 9.578 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.662 9.828 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.723 11.025 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.325 9.135 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.298 8.050 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.660 9.347 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.537 10.580 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.729 8.633 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.389 9.328 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.551 7.854 -0.946 1.00 0.00 H new ATOM 188 N GLU A 13 2.921 8.606 4.097 1.00 0.00 N ATOM 189 CA GLU A 13 2.877 8.363 5.525 1.00 0.00 C ATOM 190 C GLU A 13 1.846 7.308 5.933 1.00 0.00 C ATOM 191 O GLU A 13 2.012 6.645 6.968 1.00 0.00 O ATOM 192 CB GLU A 13 2.624 9.671 6.263 1.00 0.00 C ATOM 193 CG GLU A 13 3.680 10.738 5.999 1.00 0.00 C ATOM 194 CD GLU A 13 5.062 10.314 6.424 1.00 0.00 C ATOM 195 OE1 GLU A 13 5.789 9.708 5.626 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.453 10.603 7.573 1.00 0.00 O ATOM 0 H GLU A 13 2.214 9.257 3.755 1.00 0.00 H new ATOM 0 HA GLU A 13 3.849 7.958 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.648 10.059 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.582 9.471 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.690 10.977 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.407 11.651 6.528 1.00 0.00 H new ATOM 203 N MET A 14 0.794 7.148 5.151 1.00 0.00 N ATOM 204 CA MET A 14 -0.264 6.191 5.496 1.00 0.00 C ATOM 205 C MET A 14 0.156 4.748 5.184 1.00 0.00 C ATOM 206 O MET A 14 1.157 4.509 4.492 1.00 0.00 O ATOM 207 CB MET A 14 -1.598 6.536 4.805 1.00 0.00 C ATOM 208 CG MET A 14 -1.573 6.433 3.291 1.00 0.00 C ATOM 209 SD MET A 14 -3.140 6.911 2.514 1.00 0.00 S ATOM 210 CE MET A 14 -4.271 5.715 3.223 1.00 0.00 C ATOM 0 H MET A 14 0.642 7.658 4.281 1.00 0.00 H new ATOM 0 HA MET A 14 -0.421 6.269 6.572 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.372 5.872 5.188 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.883 7.551 5.082 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.775 7.067 2.904 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.332 5.408 3.007 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.185 5.683 2.630 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.805 4.730 3.225 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.512 6.004 4.246 1.00 0.00 H new ATOM 220 N ALA A 15 -0.612 3.798 5.686 1.00 0.00 N ATOM 221 CA ALA A 15 -0.310 2.390 5.527 1.00 0.00 C ATOM 222 C ALA A 15 -0.708 1.896 4.141 1.00 0.00 C ATOM 223 O ALA A 15 -1.841 2.115 3.684 1.00 0.00 O ATOM 224 CB ALA A 15 -1.010 1.578 6.609 1.00 0.00 C ATOM 0 H ALA A 15 -1.464 3.983 6.216 1.00 0.00 H new ATOM 0 HA ALA A 15 0.767 2.257 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.776 0.521 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.668 1.908 7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.088 1.723 6.533 1.00 0.00 H new ATOM 230 N LEU A 16 0.207 1.198 3.490 1.00 0.00 N ATOM 231 CA LEU A 16 -0.021 0.697 2.144 1.00 0.00 C ATOM 232 C LEU A 16 -1.053 -0.425 2.102 1.00 0.00 C ATOM 233 O LEU A 16 -1.692 -0.643 1.073 1.00 0.00 O ATOM 234 CB LEU A 16 1.286 0.342 1.350 1.00 0.00 C ATOM 235 CG LEU A 16 2.291 -0.685 1.934 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.273 -1.090 0.846 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.092 -0.096 3.094 1.00 0.00 C ATOM 0 H LEU A 16 1.122 0.964 3.875 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.449 1.543 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.981 -0.024 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.830 1.272 1.188 1.00 0.00 H new ATOM 0 HG LEU A 16 1.720 -1.539 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.984 -1.812 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.730 -1.539 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.810 -0.209 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.785 -0.846 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.652 0.772 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.411 0.207 3.889 1.00 0.00 H new ATOM 249 N VAL A 17 -1.250 -1.102 3.229 1.00 0.00 N ATOM 250 CA VAL A 17 -2.276 -2.137 3.317 1.00 0.00 C ATOM 251 C VAL A 17 -3.666 -1.488 3.217 1.00 0.00 C ATOM 252 O VAL A 17 -4.577 -2.037 2.604 1.00 0.00 O ATOM 253 CB VAL A 17 -2.146 -3.023 4.612 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.401 -2.234 5.895 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.051 -4.250 4.536 1.00 0.00 C ATOM 0 H VAL A 17 -0.718 -0.955 4.087 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.133 -2.820 2.479 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.111 -3.362 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.298 -2.895 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.678 -1.422 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.409 -1.821 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.939 -4.842 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.089 -3.931 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.773 -4.854 3.673 1.00 0.00 H new ATOM 265 N GLU A 18 -3.789 -0.280 3.757 1.00 0.00 N ATOM 266 CA GLU A 18 -5.021 0.468 3.677 1.00 0.00 C ATOM 267 C GLU A 18 -5.210 1.035 2.301 1.00 0.00 C ATOM 268 O GLU A 18 -6.318 1.054 1.794 1.00 0.00 O ATOM 269 CB GLU A 18 -5.097 1.548 4.744 1.00 0.00 C ATOM 270 CG GLU A 18 -5.520 1.014 6.094 1.00 0.00 C ATOM 271 CD GLU A 18 -6.949 0.505 6.064 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.184 -0.677 5.739 1.00 0.00 O ATOM 273 OE2 GLU A 18 -7.865 1.278 6.359 1.00 0.00 O ATOM 0 H GLU A 18 -3.039 0.198 4.257 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.842 -0.223 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.123 2.028 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.802 2.317 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.851 0.207 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.428 1.800 6.843 1.00 0.00 H new ATOM 280 N ILE A 19 -4.118 1.462 1.688 1.00 0.00 N ATOM 281 CA ILE A 19 -4.142 1.957 0.313 1.00 0.00 C ATOM 282 C ILE A 19 -4.678 0.858 -0.615 1.00 0.00 C ATOM 283 O ILE A 19 -5.583 1.088 -1.425 1.00 0.00 O ATOM 284 CB ILE A 19 -2.722 2.402 -0.153 1.00 0.00 C ATOM 285 CG1 ILE A 19 -2.209 3.550 0.737 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.730 2.814 -1.626 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.804 4.022 0.412 1.00 0.00 C ATOM 0 H ILE A 19 -3.195 1.477 2.122 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.796 2.828 0.271 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.044 1.554 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.892 4.395 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.238 3.226 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.727 3.120 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.049 1.970 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.420 3.646 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.527 4.831 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.105 3.194 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.770 4.381 -0.617 1.00 0.00 H new ATOM 299 N ALA A 20 -4.148 -0.341 -0.445 1.00 0.00 N ATOM 300 CA ALA A 20 -4.584 -1.481 -1.218 1.00 0.00 C ATOM 301 C ALA A 20 -6.029 -1.861 -0.856 1.00 0.00 C ATOM 302 O ALA A 20 -6.829 -2.175 -1.727 1.00 0.00 O ATOM 303 CB ALA A 20 -3.629 -2.647 -1.015 1.00 0.00 C ATOM 0 H ALA A 20 -3.410 -0.546 0.228 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.572 -1.218 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.967 -3.501 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.629 -2.358 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.606 -2.919 0.040 1.00 0.00 H new ATOM 309 N HIS A 21 -6.352 -1.793 0.437 1.00 0.00 N ATOM 310 CA HIS A 21 -7.708 -2.067 0.948 1.00 0.00 C ATOM 311 C HIS A 21 -8.725 -1.194 0.220 1.00 0.00 C ATOM 312 O HIS A 21 -9.743 -1.694 -0.272 1.00 0.00 O ATOM 313 CB HIS A 21 -7.751 -1.809 2.473 1.00 0.00 C ATOM 314 CG HIS A 21 -9.087 -2.008 3.186 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.296 -1.607 4.479 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.251 -2.583 2.793 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.521 -1.922 4.851 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.120 -2.516 3.843 1.00 0.00 N ATOM 0 H HIS A 21 -5.683 -1.546 1.166 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.962 -3.111 0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.017 -2.463 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.425 -0.784 2.650 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -8.608 -1.136 5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.453 -3.016 1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -10.958 -1.725 5.819 1.00 0.00 H new ATOM 327 N GLU A 22 -8.420 0.084 0.137 1.00 0.00 N ATOM 328 CA GLU A 22 -9.265 1.049 -0.538 1.00 0.00 C ATOM 329 C GLU A 22 -9.403 0.724 -2.012 1.00 0.00 C ATOM 330 O GLU A 22 -10.488 0.772 -2.552 1.00 0.00 O ATOM 331 CB GLU A 22 -8.694 2.442 -0.387 1.00 0.00 C ATOM 332 CG GLU A 22 -8.642 2.950 1.042 1.00 0.00 C ATOM 333 CD GLU A 22 -9.990 2.943 1.699 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.848 3.776 1.326 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.224 2.101 2.583 1.00 0.00 O ATOM 0 H GLU A 22 -7.573 0.486 0.539 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.251 1.003 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.685 2.454 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.291 3.132 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.956 2.331 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.242 3.964 1.050 1.00 0.00 H new ATOM 342 N LEU A 23 -8.289 0.365 -2.632 1.00 0.00 N ATOM 343 CA LEU A 23 -8.217 0.034 -4.061 1.00 0.00 C ATOM 344 C LEU A 23 -9.202 -1.094 -4.414 1.00 0.00 C ATOM 345 O LEU A 23 -9.930 -1.022 -5.402 1.00 0.00 O ATOM 346 CB LEU A 23 -6.758 -0.366 -4.391 1.00 0.00 C ATOM 347 CG LEU A 23 -6.378 -0.729 -5.840 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.745 0.390 -6.802 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.885 -0.949 -5.886 1.00 0.00 C ATOM 0 H LEU A 23 -7.390 0.292 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.503 0.899 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.116 0.459 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.504 -1.220 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.922 -1.625 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.465 0.105 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.819 0.569 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.214 1.300 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.587 -1.208 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.373 -0.037 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.616 -1.761 -5.211 1.00 0.00 H new ATOM 361 N PHE A 24 -9.240 -2.102 -3.586 1.00 0.00 N ATOM 362 CA PHE A 24 -10.124 -3.241 -3.792 1.00 0.00 C ATOM 363 C PHE A 24 -11.556 -2.957 -3.420 1.00 0.00 C ATOM 364 O PHE A 24 -12.472 -3.432 -4.079 1.00 0.00 O ATOM 365 CB PHE A 24 -9.595 -4.482 -3.122 1.00 0.00 C ATOM 366 CG PHE A 24 -8.380 -4.970 -3.796 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.489 -5.735 -4.921 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.136 -4.640 -3.332 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.380 -6.166 -5.573 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.010 -5.073 -3.980 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.135 -5.840 -5.107 1.00 0.00 C ATOM 0 H PHE A 24 -8.664 -2.167 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.134 -3.430 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.374 -4.269 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.359 -5.260 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.467 -6.000 -5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.041 -4.031 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.480 -6.769 -6.463 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.031 -4.812 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.254 -6.187 -5.627 1.00 0.00 H new ATOM 381 N GLU A 25 -11.745 -2.198 -2.375 1.00 0.00 N ATOM 382 CA GLU A 25 -13.074 -1.758 -1.949 1.00 0.00 C ATOM 383 C GLU A 25 -13.693 -0.897 -3.061 1.00 0.00 C ATOM 384 O GLU A 25 -14.884 -0.983 -3.360 1.00 0.00 O ATOM 385 CB GLU A 25 -12.945 -0.979 -0.624 1.00 0.00 C ATOM 386 CG GLU A 25 -14.229 -0.376 -0.068 1.00 0.00 C ATOM 387 CD GLU A 25 -15.341 -1.374 0.140 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.167 -2.356 0.897 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.431 -1.176 -0.438 1.00 0.00 O ATOM 0 H GLU A 25 -10.987 -1.858 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.731 -2.611 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.528 -1.649 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.224 -0.175 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.008 0.108 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.576 0.402 -0.748 1.00 0.00 H new ATOM 396 N GLU A 26 -12.854 -0.115 -3.690 1.00 0.00 N ATOM 397 CA GLU A 26 -13.234 0.725 -4.791 1.00 0.00 C ATOM 398 C GLU A 26 -13.490 -0.086 -6.064 1.00 0.00 C ATOM 399 O GLU A 26 -14.578 -0.009 -6.645 1.00 0.00 O ATOM 400 CB GLU A 26 -12.131 1.754 -5.031 1.00 0.00 C ATOM 401 CG GLU A 26 -12.522 3.176 -4.683 1.00 0.00 C ATOM 402 CD GLU A 26 -13.680 3.660 -5.511 1.00 0.00 C ATOM 403 OE1 GLU A 26 -13.454 4.206 -6.604 1.00 0.00 O ATOM 404 OE2 GLU A 26 -14.843 3.497 -5.088 1.00 0.00 O ATOM 0 H GLU A 26 -11.867 -0.045 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.168 1.227 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.256 1.476 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.836 1.716 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.783 3.232 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.667 3.835 -4.835 1.00 0.00 H new ATOM 411 N HIS A 27 -12.518 -0.907 -6.449 1.00 0.00 N ATOM 412 CA HIS A 27 -12.580 -1.664 -7.703 1.00 0.00 C ATOM 413 C HIS A 27 -13.659 -2.750 -7.660 1.00 0.00 C ATOM 414 O HIS A 27 -14.275 -3.049 -8.677 1.00 0.00 O ATOM 415 CB HIS A 27 -11.201 -2.269 -8.027 1.00 0.00 C ATOM 416 CG HIS A 27 -11.083 -2.862 -9.402 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.764 -4.183 -9.636 1.00 0.00 N ATOM 418 CD2 HIS A 27 -11.192 -2.285 -10.621 1.00 0.00 C ATOM 419 CE1 HIS A 27 -10.683 -4.382 -10.941 1.00 0.00 C ATOM 420 NE2 HIS A 27 -10.937 -3.248 -11.552 1.00 0.00 N ATOM 0 H HIS A 27 -11.669 -1.069 -5.907 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.855 -0.972 -8.499 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.444 -1.493 -7.914 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.977 -3.042 -7.292 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -10.615 -4.892 -8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.436 -1.252 -10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.448 -5.319 -11.423 1.00 0.00 H new ATOM 429 N LYS A 28 -13.845 -3.356 -6.483 1.00 0.00 N ATOM 430 CA LYS A 28 -14.880 -4.386 -6.229 1.00 0.00 C ATOM 431 C LYS A 28 -14.665 -5.667 -7.046 1.00 0.00 C ATOM 432 O LYS A 28 -15.547 -6.516 -7.153 1.00 0.00 O ATOM 433 CB LYS A 28 -16.282 -3.797 -6.417 1.00 0.00 C ATOM 434 CG LYS A 28 -16.599 -2.712 -5.400 1.00 0.00 C ATOM 435 CD LYS A 28 -17.897 -2.000 -5.710 1.00 0.00 C ATOM 436 CE LYS A 28 -18.226 -0.955 -4.655 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.153 0.060 -4.502 1.00 0.00 N ATOM 0 H LYS A 28 -13.277 -3.148 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.784 -4.694 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.367 -3.384 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.021 -4.594 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.658 -3.154 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.785 -1.987 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.827 -1.522 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.707 -2.727 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.158 -0.456 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.392 -1.450 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.569 0.961 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.465 -0.267 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.673 0.198 -5.414 1.00 0.00 H new ATOM 451 N LYS A 29 -13.466 -5.811 -7.547 1.00 0.00 N ATOM 452 CA LYS A 29 -13.031 -6.960 -8.289 1.00 0.00 C ATOM 453 C LYS A 29 -11.609 -7.221 -7.880 1.00 0.00 C ATOM 454 O LYS A 29 -10.860 -6.247 -7.636 1.00 0.00 O ATOM 455 CB LYS A 29 -13.059 -6.755 -9.816 1.00 0.00 C ATOM 456 CG LYS A 29 -14.426 -6.665 -10.474 1.00 0.00 C ATOM 457 CD LYS A 29 -14.285 -6.633 -12.003 1.00 0.00 C ATOM 458 CE LYS A 29 -13.683 -7.941 -12.555 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.441 -7.887 -14.013 1.00 0.00 N ATOM 0 H LYS A 29 -12.740 -5.102 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.709 -7.785 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.512 -5.841 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.514 -7.578 -10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.036 -7.518 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.943 -5.769 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.263 -6.465 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.653 -5.793 -12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.744 -8.149 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.357 -8.768 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.036 -8.791 -14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.340 -7.716 -14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.776 -7.116 -14.226 1.00 0.00 H new ATOM 473 N PRO A 30 -11.197 -8.484 -7.811 1.00 0.00 N ATOM 474 CA PRO A 30 -9.855 -8.863 -7.378 1.00 0.00 C ATOM 475 C PRO A 30 -8.806 -8.542 -8.434 1.00 0.00 C ATOM 476 O PRO A 30 -9.098 -8.520 -9.638 1.00 0.00 O ATOM 477 CB PRO A 30 -9.963 -10.376 -7.145 1.00 0.00 C ATOM 478 CG PRO A 30 -11.419 -10.694 -7.290 1.00 0.00 C ATOM 479 CD PRO A 30 -11.984 -9.662 -8.178 1.00 0.00 C ATOM 0 HA PRO A 30 -9.537 -8.317 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.365 -10.929 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.597 -10.649 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.559 -11.689 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.917 -10.687 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.866 -9.920 -9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.049 -9.512 -8.004 1.00 0.00 H new ATOM 487 N VAL A 31 -7.605 -8.289 -7.984 1.00 0.00 N ATOM 488 CA VAL A 31 -6.515 -7.866 -8.840 1.00 0.00 C ATOM 489 C VAL A 31 -5.230 -8.571 -8.380 1.00 0.00 C ATOM 490 O VAL A 31 -5.002 -8.706 -7.177 1.00 0.00 O ATOM 491 CB VAL A 31 -6.307 -6.302 -8.755 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.159 -5.839 -9.604 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.565 -5.533 -9.137 1.00 0.00 C ATOM 0 H VAL A 31 -7.348 -8.370 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.751 -8.127 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.076 -6.090 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.053 -4.758 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.241 -6.322 -9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.348 -6.100 -10.645 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.373 -4.462 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.847 -5.782 -10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.376 -5.804 -8.461 1.00 0.00 H new ATOM 503 N PRO A 32 -4.420 -9.102 -9.314 1.00 0.00 N ATOM 504 CA PRO A 32 -3.130 -9.713 -8.978 1.00 0.00 C ATOM 505 C PRO A 32 -2.154 -8.688 -8.353 1.00 0.00 C ATOM 506 O PRO A 32 -2.242 -7.467 -8.631 1.00 0.00 O ATOM 507 CB PRO A 32 -2.598 -10.229 -10.323 1.00 0.00 C ATOM 508 CG PRO A 32 -3.373 -9.497 -11.361 1.00 0.00 C ATOM 509 CD PRO A 32 -4.711 -9.191 -10.757 1.00 0.00 C ATOM 0 HA PRO A 32 -3.234 -10.502 -8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.530 -10.038 -10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.739 -11.306 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.861 -8.580 -11.653 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.483 -10.102 -12.261 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.122 -8.258 -11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.438 -9.974 -10.973 1.00 0.00 H new ATOM 517 N PHE A 33 -1.223 -9.202 -7.553 1.00 0.00 N ATOM 518 CA PHE A 33 -0.257 -8.419 -6.764 1.00 0.00 C ATOM 519 C PHE A 33 0.469 -7.378 -7.615 1.00 0.00 C ATOM 520 O PHE A 33 0.635 -6.237 -7.201 1.00 0.00 O ATOM 521 CB PHE A 33 0.756 -9.376 -6.104 1.00 0.00 C ATOM 522 CG PHE A 33 1.661 -8.753 -5.061 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.261 -8.691 -3.734 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.915 -8.263 -5.398 1.00 0.00 C ATOM 525 CE1 PHE A 33 2.088 -8.155 -2.763 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.744 -7.720 -4.434 1.00 0.00 C ATOM 527 CZ PHE A 33 3.330 -7.667 -3.111 1.00 0.00 C ATOM 0 H PHE A 33 -1.111 -10.208 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.807 -7.875 -5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.206 -10.195 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.378 -9.813 -6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.288 -9.067 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.247 -8.306 -6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.761 -8.119 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.715 -7.337 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.978 -7.245 -2.357 1.00 0.00 H new ATOM 537 N GLN A 34 0.862 -7.769 -8.809 1.00 0.00 N ATOM 538 CA GLN A 34 1.579 -6.883 -9.710 1.00 0.00 C ATOM 539 C GLN A 34 0.764 -5.675 -10.140 1.00 0.00 C ATOM 540 O GLN A 34 1.266 -4.561 -10.099 1.00 0.00 O ATOM 541 CB GLN A 34 2.130 -7.649 -10.914 1.00 0.00 C ATOM 542 CG GLN A 34 3.285 -8.559 -10.546 1.00 0.00 C ATOM 543 CD GLN A 34 4.561 -7.789 -10.249 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.398 -7.595 -11.127 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.668 -7.252 -9.069 1.00 0.00 N ATOM 0 H GLN A 34 0.696 -8.703 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 34 2.422 -6.486 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.332 -8.243 -11.359 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.459 -6.939 -11.672 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.012 -9.153 -9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.468 -9.257 -11.363 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.957 -7.432 -8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.463 -6.651 -8.852 1.00 0.00 H new ATOM 554 N GLU A 35 -0.508 -5.864 -10.443 1.00 0.00 N ATOM 555 CA GLU A 35 -1.284 -4.775 -10.990 1.00 0.00 C ATOM 556 C GLU A 35 -1.626 -3.799 -9.900 1.00 0.00 C ATOM 557 O GLU A 35 -1.491 -2.600 -10.079 1.00 0.00 O ATOM 558 CB GLU A 35 -2.553 -5.274 -11.657 1.00 0.00 C ATOM 559 CG GLU A 35 -2.340 -6.250 -12.789 1.00 0.00 C ATOM 560 CD GLU A 35 -1.602 -5.655 -13.942 1.00 0.00 C ATOM 561 OE1 GLU A 35 -2.208 -4.957 -14.754 1.00 0.00 O ATOM 562 OE2 GLU A 35 -0.410 -5.923 -14.084 1.00 0.00 O ATOM 0 H GLU A 35 -1.013 -6.742 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.681 -4.279 -11.751 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.180 -5.749 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.107 -4.416 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.788 -7.113 -12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.308 -6.615 -13.134 1.00 0.00 H new ATOM 569 N LEU A 36 -1.996 -4.329 -8.734 1.00 0.00 N ATOM 570 CA LEU A 36 -2.384 -3.491 -7.615 1.00 0.00 C ATOM 571 C LEU A 36 -1.223 -2.599 -7.195 1.00 0.00 C ATOM 572 O LEU A 36 -1.397 -1.422 -6.950 1.00 0.00 O ATOM 573 CB LEU A 36 -2.949 -4.350 -6.427 1.00 0.00 C ATOM 574 CG LEU A 36 -1.986 -5.310 -5.664 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.176 -4.591 -4.585 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.740 -6.477 -5.062 1.00 0.00 C ATOM 0 H LEU A 36 -2.033 -5.331 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.197 -2.837 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.375 -3.662 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.771 -4.950 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.281 -5.690 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.522 -5.305 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.574 -3.807 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.854 -4.147 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.042 -7.129 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.487 -6.105 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.234 -7.039 -5.855 1.00 0.00 H new ATOM 588 N LEU A 37 -0.035 -3.163 -7.245 1.00 0.00 N ATOM 589 CA LEU A 37 1.170 -2.521 -6.813 1.00 0.00 C ATOM 590 C LEU A 37 1.534 -1.396 -7.766 1.00 0.00 C ATOM 591 O LEU A 37 1.891 -0.294 -7.347 1.00 0.00 O ATOM 592 CB LEU A 37 2.250 -3.581 -6.807 1.00 0.00 C ATOM 593 CG LEU A 37 3.618 -3.202 -6.309 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.575 -2.831 -4.832 1.00 0.00 C ATOM 595 CD2 LEU A 37 4.549 -4.360 -6.547 1.00 0.00 C ATOM 0 H LEU A 37 0.114 -4.108 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 37 1.050 -2.084 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.895 -4.414 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.358 -3.951 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 37 3.977 -2.326 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.576 -2.561 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.903 -1.985 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.215 -3.682 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.547 -4.103 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.186 -5.235 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.589 -4.581 -7.614 1.00 0.00 H new ATOM 607 N ASN A 38 1.398 -1.678 -9.038 1.00 0.00 N ATOM 608 CA ASN A 38 1.726 -0.734 -10.089 1.00 0.00 C ATOM 609 C ASN A 38 0.757 0.436 -10.112 1.00 0.00 C ATOM 610 O ASN A 38 1.167 1.598 -10.272 1.00 0.00 O ATOM 611 CB ASN A 38 1.788 -1.450 -11.443 1.00 0.00 C ATOM 612 CG ASN A 38 2.990 -2.363 -11.547 1.00 0.00 C ATOM 613 OD1 ASN A 38 4.031 -2.104 -10.971 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.857 -3.433 -12.271 1.00 0.00 N ATOM 0 H ASN A 38 1.054 -2.575 -9.381 1.00 0.00 H new ATOM 0 HA ASN A 38 2.712 -0.318 -9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.877 -2.032 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.824 -0.710 -12.243 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.637 -4.083 -12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.972 -3.623 -12.742 1.00 0.00 H new ATOM 621 N GLU A 39 -0.517 0.150 -9.905 1.00 0.00 N ATOM 622 CA GLU A 39 -1.526 1.197 -9.860 1.00 0.00 C ATOM 623 C GLU A 39 -1.322 2.064 -8.614 1.00 0.00 C ATOM 624 O GLU A 39 -1.383 3.297 -8.690 1.00 0.00 O ATOM 625 CB GLU A 39 -2.932 0.602 -9.902 1.00 0.00 C ATOM 626 CG GLU A 39 -3.186 -0.275 -11.126 1.00 0.00 C ATOM 627 CD GLU A 39 -3.005 0.453 -12.438 1.00 0.00 C ATOM 628 OE1 GLU A 39 -1.871 0.502 -12.982 1.00 0.00 O ATOM 629 OE2 GLU A 39 -3.996 0.963 -12.974 1.00 0.00 O ATOM 0 H GLU A 39 -0.877 -0.794 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.417 1.830 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.095 0.010 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.661 1.412 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.510 -1.129 -11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.201 -0.670 -11.076 1.00 0.00 H new ATOM 636 N ILE A 40 -1.022 1.406 -7.483 1.00 0.00 N ATOM 637 CA ILE A 40 -0.696 2.097 -6.231 1.00 0.00 C ATOM 638 C ILE A 40 0.491 3.035 -6.447 1.00 0.00 C ATOM 639 O ILE A 40 0.410 4.208 -6.149 1.00 0.00 O ATOM 640 CB ILE A 40 -0.395 1.084 -5.063 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.692 0.411 -4.588 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.332 1.742 -3.891 1.00 0.00 C ATOM 643 CD1 ILE A 40 -1.491 -0.634 -3.504 1.00 0.00 C ATOM 0 H ILE A 40 -0.999 0.389 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.567 2.682 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 40 0.275 0.323 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.371 1.178 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.179 -0.058 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.515 1.000 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.283 2.149 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.283 2.547 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.455 -1.060 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.839 -1.424 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.034 -0.169 -2.630 1.00 0.00 H new ATOM 655 N ALA A 41 1.553 2.513 -7.032 1.00 0.00 N ATOM 656 CA ALA A 41 2.760 3.291 -7.322 1.00 0.00 C ATOM 657 C ALA A 41 2.487 4.478 -8.238 1.00 0.00 C ATOM 658 O ALA A 41 3.259 5.407 -8.283 1.00 0.00 O ATOM 659 CB ALA A 41 3.895 2.433 -7.846 1.00 0.00 C ATOM 0 H ALA A 41 1.611 1.537 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 41 3.085 3.698 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.764 3.061 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.154 1.679 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.584 1.942 -8.768 1.00 0.00 H new ATOM 665 N SER A 42 1.480 4.374 -9.068 1.00 0.00 N ATOM 666 CA SER A 42 1.110 5.493 -9.918 1.00 0.00 C ATOM 667 C SER A 42 0.412 6.597 -9.110 1.00 0.00 C ATOM 668 O SER A 42 0.796 7.754 -9.191 1.00 0.00 O ATOM 669 CB SER A 42 0.270 5.029 -11.102 1.00 0.00 C ATOM 670 OG SER A 42 0.889 3.926 -11.769 1.00 0.00 O ATOM 0 H SER A 42 0.904 3.540 -9.178 1.00 0.00 H new ATOM 0 HA SER A 42 2.024 5.926 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.722 4.739 -10.757 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.136 5.853 -11.802 1.00 0.00 H new ATOM 0 HG SER A 42 0.897 3.147 -11.175 1.00 0.00 H new ATOM 676 N LEU A 43 -0.609 6.220 -8.340 1.00 0.00 N ATOM 677 CA LEU A 43 -1.341 7.175 -7.492 1.00 0.00 C ATOM 678 C LEU A 43 -0.386 7.798 -6.480 1.00 0.00 C ATOM 679 O LEU A 43 -0.412 9.005 -6.207 1.00 0.00 O ATOM 680 CB LEU A 43 -2.491 6.443 -6.776 1.00 0.00 C ATOM 681 CG LEU A 43 -3.296 7.235 -5.728 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.944 8.470 -6.329 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.348 6.341 -5.109 1.00 0.00 C ATOM 0 H LEU A 43 -0.952 5.261 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.760 7.971 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.187 6.086 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.076 5.563 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.603 7.572 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.502 9.000 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.173 9.125 -6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.623 8.172 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.915 6.905 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.023 5.981 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.865 5.491 -4.626 1.00 0.00 H new ATOM 695 N LEU A 44 0.466 6.966 -5.958 1.00 0.00 N ATOM 696 CA LEU A 44 1.460 7.367 -5.020 1.00 0.00 C ATOM 697 C LEU A 44 2.632 7.974 -5.699 1.00 0.00 C ATOM 698 O LEU A 44 3.298 7.329 -6.486 1.00 0.00 O ATOM 699 CB LEU A 44 1.964 6.188 -4.196 1.00 0.00 C ATOM 700 CG LEU A 44 1.163 5.762 -2.987 1.00 0.00 C ATOM 701 CD1 LEU A 44 -0.256 5.373 -3.345 1.00 0.00 C ATOM 702 CD2 LEU A 44 1.885 4.637 -2.277 1.00 0.00 C ATOM 0 H LEU A 44 0.486 5.971 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 44 0.982 8.098 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.044 5.328 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.973 6.426 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 44 1.080 6.615 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.790 5.075 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.762 6.223 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.239 4.540 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.309 4.328 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.997 3.791 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.869 4.980 -1.959 1.00 0.00 H new ATOM 714 N GLY A 45 2.860 9.203 -5.435 1.00 0.00 N ATOM 715 CA GLY A 45 4.105 9.813 -5.833 1.00 0.00 C ATOM 716 C GLY A 45 5.249 9.254 -4.989 1.00 0.00 C ATOM 717 O GLY A 45 5.636 9.824 -3.961 1.00 0.00 O ATOM 0 H GLY A 45 2.213 9.821 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.293 9.621 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.046 10.895 -5.711 1.00 0.00 H new ATOM 721 N VAL A 46 5.679 8.091 -5.378 1.00 0.00 N ATOM 722 CA VAL A 46 6.743 7.347 -4.765 1.00 0.00 C ATOM 723 C VAL A 46 7.505 6.674 -5.875 1.00 0.00 C ATOM 724 O VAL A 46 7.070 6.702 -7.039 1.00 0.00 O ATOM 725 CB VAL A 46 6.195 6.206 -3.826 1.00 0.00 C ATOM 726 CG1 VAL A 46 5.405 6.753 -2.648 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.355 5.185 -4.616 1.00 0.00 C ATOM 0 H VAL A 46 5.274 7.606 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 46 7.351 8.029 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 46 7.067 5.694 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.050 5.926 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.045 7.401 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.552 7.324 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.992 4.411 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.507 5.691 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.971 4.729 -5.391 1.00 0.00 H new ATOM 737 N LYS A 47 8.611 6.096 -5.554 1.00 0.00 N ATOM 738 CA LYS A 47 9.316 5.261 -6.492 1.00 0.00 C ATOM 739 C LYS A 47 8.807 3.844 -6.292 1.00 0.00 C ATOM 740 O LYS A 47 8.513 3.451 -5.167 1.00 0.00 O ATOM 741 CB LYS A 47 10.821 5.234 -6.185 1.00 0.00 C ATOM 742 CG LYS A 47 11.537 6.562 -6.099 1.00 0.00 C ATOM 743 CD LYS A 47 11.632 7.248 -7.429 1.00 0.00 C ATOM 744 CE LYS A 47 12.538 8.462 -7.321 1.00 0.00 C ATOM 745 NZ LYS A 47 12.627 9.210 -8.585 1.00 0.00 N ATOM 0 H LYS A 47 9.059 6.182 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 47 9.157 5.642 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.962 4.713 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.311 4.636 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.013 7.209 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.540 6.406 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.022 6.558 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.640 7.552 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.165 9.121 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.536 8.142 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.256 10.029 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.008 8.591 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.680 9.540 -8.860 1.00 0.00 H new ATOM 759 N LYS A 48 8.700 3.077 -7.338 1.00 0.00 N ATOM 760 CA LYS A 48 8.414 1.679 -7.161 1.00 0.00 C ATOM 761 C LYS A 48 9.659 1.018 -6.566 1.00 0.00 C ATOM 762 O LYS A 48 9.584 -0.011 -5.956 1.00 0.00 O ATOM 763 CB LYS A 48 7.878 0.972 -8.428 1.00 0.00 C ATOM 764 CG LYS A 48 7.494 -0.494 -8.181 1.00 0.00 C ATOM 765 CD LYS A 48 6.696 -1.103 -9.327 1.00 0.00 C ATOM 766 CE LYS A 48 6.487 -2.598 -9.123 1.00 0.00 C ATOM 767 NZ LYS A 48 7.760 -3.346 -9.125 1.00 0.00 N ATOM 0 H LYS A 48 8.804 3.385 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 48 7.579 1.575 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.007 1.513 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.636 1.016 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.400 -1.080 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.910 -0.561 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.729 -0.606 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.219 -0.932 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.971 -2.765 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.840 -2.983 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.571 -4.352 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.382 -2.971 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.225 -3.243 -8.200 1.00 0.00 H new ATOM 781 N GLU A 49 10.811 1.650 -6.795 1.00 0.00 N ATOM 782 CA GLU A 49 12.092 1.267 -6.177 1.00 0.00 C ATOM 783 C GLU A 49 11.945 1.202 -4.626 1.00 0.00 C ATOM 784 O GLU A 49 12.121 0.122 -3.981 1.00 0.00 O ATOM 785 CB GLU A 49 13.126 2.353 -6.490 1.00 0.00 C ATOM 786 CG GLU A 49 13.293 2.687 -7.959 1.00 0.00 C ATOM 787 CD GLU A 49 14.219 3.851 -8.172 1.00 0.00 C ATOM 788 OE1 GLU A 49 15.419 3.732 -7.884 1.00 0.00 O ATOM 789 OE2 GLU A 49 13.754 4.915 -8.598 1.00 0.00 O ATOM 0 H GLU A 49 10.887 2.452 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 49 12.395 0.295 -6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.846 3.262 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.091 2.037 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.680 1.815 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.319 2.915 -8.391 1.00 0.00 H new ATOM 796 N GLU A 50 11.544 2.341 -4.042 1.00 0.00 N ATOM 797 CA GLU A 50 11.381 2.464 -2.594 1.00 0.00 C ATOM 798 C GLU A 50 10.243 1.572 -2.154 1.00 0.00 C ATOM 799 O GLU A 50 10.302 0.918 -1.110 1.00 0.00 O ATOM 800 CB GLU A 50 11.101 3.935 -2.173 1.00 0.00 C ATOM 801 CG GLU A 50 9.763 4.468 -2.665 1.00 0.00 C ATOM 802 CD GLU A 50 9.474 5.885 -2.313 1.00 0.00 C ATOM 803 OE1 GLU A 50 8.864 6.136 -1.267 1.00 0.00 O ATOM 804 OE2 GLU A 50 9.785 6.770 -3.115 1.00 0.00 O ATOM 0 H GLU A 50 11.326 3.193 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 50 12.308 2.158 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.132 4.005 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.899 4.571 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.727 4.366 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.969 3.841 -2.259 1.00 0.00 H new ATOM 811 N LEU A 51 9.223 1.507 -2.998 1.00 0.00 N ATOM 812 CA LEU A 51 8.074 0.708 -2.738 1.00 0.00 C ATOM 813 C LEU A 51 8.445 -0.755 -2.853 1.00 0.00 C ATOM 814 O LEU A 51 7.771 -1.568 -2.337 1.00 0.00 O ATOM 815 CB LEU A 51 6.937 1.064 -3.706 1.00 0.00 C ATOM 816 CG LEU A 51 5.568 0.422 -3.438 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.015 0.855 -2.085 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.594 0.774 -4.547 1.00 0.00 C ATOM 0 H LEU A 51 9.186 2.016 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 51 7.719 0.905 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.811 2.147 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.250 0.787 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 51 5.699 -0.660 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.045 0.386 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.703 0.551 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.901 1.939 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.628 0.312 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.475 1.856 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.978 0.407 -5.499 1.00 0.00 H new ATOM 830 N GLY A 52 9.563 -1.040 -3.523 1.00 0.00 N ATOM 831 CA GLY A 52 10.078 -2.387 -3.693 1.00 0.00 C ATOM 832 C GLY A 52 10.557 -2.931 -2.396 1.00 0.00 C ATOM 833 O GLY A 52 10.255 -4.090 -2.015 1.00 0.00 O ATOM 0 H GLY A 52 10.140 -0.326 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.298 -3.032 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.894 -2.382 -4.415 1.00 0.00 H new ATOM 837 N ASP A 53 11.265 -2.092 -1.680 1.00 0.00 N ATOM 838 CA ASP A 53 11.715 -2.440 -0.321 1.00 0.00 C ATOM 839 C ASP A 53 10.473 -2.715 0.524 1.00 0.00 C ATOM 840 O ASP A 53 10.349 -3.744 1.252 1.00 0.00 O ATOM 841 CB ASP A 53 12.489 -1.275 0.297 1.00 0.00 C ATOM 842 CG ASP A 53 13.573 -0.752 -0.605 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.526 -1.464 -0.874 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.450 0.384 -1.095 1.00 0.00 O ATOM 0 H ASP A 53 11.549 -1.165 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 53 12.368 -3.312 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.796 -0.467 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.931 -1.598 1.240 1.00 0.00 H new ATOM 849 N ARG A 54 9.508 -1.836 0.350 1.00 0.00 N ATOM 850 CA ARG A 54 8.244 -1.946 1.024 1.00 0.00 C ATOM 851 C ARG A 54 7.423 -3.126 0.510 1.00 0.00 C ATOM 852 O ARG A 54 6.507 -3.491 1.141 1.00 0.00 O ATOM 853 CB ARG A 54 7.412 -0.639 1.000 1.00 0.00 C ATOM 854 CG ARG A 54 7.881 0.482 1.958 1.00 0.00 C ATOM 855 CD ARG A 54 9.280 0.964 1.643 1.00 0.00 C ATOM 856 NE ARG A 54 9.712 2.089 2.468 1.00 0.00 N ATOM 857 CZ ARG A 54 10.856 2.775 2.283 1.00 0.00 C ATOM 858 NH1 ARG A 54 11.671 2.459 1.267 1.00 0.00 N ATOM 859 NH2 ARG A 54 11.165 3.783 3.088 1.00 0.00 N ATOM 0 H ARG A 54 9.584 -1.026 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 54 8.492 -2.133 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.418 -0.247 -0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.378 -0.886 1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.188 1.321 1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.848 0.116 2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.978 0.138 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.327 1.255 0.594 1.00 0.00 H new ATOM 0 HE ARG A 54 9.106 2.375 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.425 1.699 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.537 2.979 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.536 4.040 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.032 4.301 2.946 1.00 0.00 H new ATOM 873 N ILE A 55 7.771 -3.694 -0.660 1.00 0.00 N ATOM 874 CA ILE A 55 7.086 -4.877 -1.211 1.00 0.00 C ATOM 875 C ILE A 55 7.424 -6.051 -0.356 1.00 0.00 C ATOM 876 O ILE A 55 6.557 -6.827 -0.004 1.00 0.00 O ATOM 877 CB ILE A 55 7.507 -5.220 -2.688 1.00 0.00 C ATOM 878 CG1 ILE A 55 7.099 -4.136 -3.668 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.923 -6.551 -3.138 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.619 -4.375 -5.074 1.00 0.00 C ATOM 0 H ILE A 55 8.530 -3.348 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 55 6.020 -4.652 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 55 8.595 -5.288 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.011 -4.071 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.467 -3.174 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.234 -6.757 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.281 -7.346 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.835 -6.505 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.292 -3.564 -5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.708 -4.411 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.230 -5.321 -5.450 1.00 0.00 H new ATOM 892 N ALA A 56 8.706 -6.168 -0.018 1.00 0.00 N ATOM 893 CA ALA A 56 9.165 -7.243 0.859 1.00 0.00 C ATOM 894 C ALA A 56 8.406 -7.179 2.189 1.00 0.00 C ATOM 895 O ALA A 56 7.737 -8.172 2.636 1.00 0.00 O ATOM 896 CB ALA A 56 10.664 -7.125 1.085 1.00 0.00 C ATOM 0 H ALA A 56 9.441 -5.536 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 56 8.966 -8.207 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.998 -7.930 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.183 -7.196 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.888 -6.164 1.549 1.00 0.00 H new ATOM 902 N GLN A 57 8.421 -5.987 2.774 1.00 0.00 N ATOM 903 CA GLN A 57 7.728 -5.756 4.035 1.00 0.00 C ATOM 904 C GLN A 57 6.204 -6.007 3.824 1.00 0.00 C ATOM 905 O GLN A 57 5.549 -6.641 4.642 1.00 0.00 O ATOM 906 CB GLN A 57 8.003 -4.308 4.491 1.00 0.00 C ATOM 907 CG GLN A 57 7.833 -4.003 5.995 1.00 0.00 C ATOM 908 CD GLN A 57 6.431 -4.198 6.542 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.611 -3.290 6.494 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.160 -5.341 7.109 1.00 0.00 N ATOM 0 H GLN A 57 8.902 -5.170 2.398 1.00 0.00 H new ATOM 0 HA GLN A 57 8.084 -6.436 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.023 -4.051 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.340 -3.646 3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.516 -4.639 6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.136 -2.972 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.865 -6.078 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.244 -5.498 7.528 1.00 0.00 H new ATOM 919 N PHE A 58 5.692 -5.567 2.682 1.00 0.00 N ATOM 920 CA PHE A 58 4.281 -5.688 2.341 1.00 0.00 C ATOM 921 C PHE A 58 3.861 -7.135 2.208 1.00 0.00 C ATOM 922 O PHE A 58 2.761 -7.447 2.548 1.00 0.00 O ATOM 923 CB PHE A 58 3.927 -4.884 1.074 1.00 0.00 C ATOM 924 CG PHE A 58 2.458 -4.793 0.757 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.568 -4.273 1.685 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.970 -5.216 -0.467 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.224 -4.178 1.398 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.625 -5.119 -0.761 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.249 -4.599 0.173 1.00 0.00 C ATOM 0 H PHE A 58 6.250 -5.112 1.960 1.00 0.00 H new ATOM 0 HA PHE A 58 3.716 -5.257 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.321 -3.874 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.438 -5.335 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.933 -3.938 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.649 -5.626 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.458 -3.774 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.256 -5.450 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.302 -4.522 -0.056 1.00 0.00 H new ATOM 939 N TYR A 59 4.739 -8.013 1.713 1.00 0.00 N ATOM 940 CA TYR A 59 4.420 -9.440 1.684 1.00 0.00 C ATOM 941 C TYR A 59 4.120 -9.899 3.079 1.00 0.00 C ATOM 942 O TYR A 59 3.048 -10.458 3.338 1.00 0.00 O ATOM 943 CB TYR A 59 5.555 -10.307 1.139 1.00 0.00 C ATOM 944 CG TYR A 59 5.804 -10.254 -0.339 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.851 -10.677 -1.254 1.00 0.00 C ATOM 946 CD2 TYR A 59 7.021 -9.838 -0.814 1.00 0.00 C ATOM 947 CE1 TYR A 59 5.124 -10.672 -2.610 1.00 0.00 C ATOM 948 CE2 TYR A 59 7.301 -9.817 -2.151 1.00 0.00 C ATOM 949 CZ TYR A 59 6.358 -10.234 -3.048 1.00 0.00 C ATOM 950 OH TYR A 59 6.656 -10.226 -4.390 1.00 0.00 O ATOM 0 H TYR A 59 5.654 -7.767 1.336 1.00 0.00 H new ATOM 0 HA TYR A 59 3.566 -9.555 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.475 -10.019 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.351 -11.343 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.886 -11.014 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.778 -9.519 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.380 -11.007 -3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.264 -9.472 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 59 7.566 -9.887 -4.521 1.00 0.00 H new ATOM 960 N THR A 60 5.039 -9.601 3.993 1.00 0.00 N ATOM 961 CA THR A 60 4.860 -9.998 5.383 1.00 0.00 C ATOM 962 C THR A 60 3.559 -9.375 5.963 1.00 0.00 C ATOM 963 O THR A 60 2.677 -10.083 6.470 1.00 0.00 O ATOM 964 CB THR A 60 6.042 -9.516 6.231 1.00 0.00 C ATOM 965 OG1 THR A 60 7.280 -9.769 5.543 1.00 0.00 O ATOM 966 CG2 THR A 60 6.056 -10.232 7.575 1.00 0.00 C ATOM 0 H THR A 60 5.902 -9.094 3.799 1.00 0.00 H new ATOM 0 HA THR A 60 4.797 -11.086 5.414 1.00 0.00 H new ATOM 0 HB THR A 60 5.932 -8.444 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.029 -9.456 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.901 -9.879 8.166 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.128 -10.024 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.149 -11.306 7.414 1.00 0.00 H new ATOM 974 N ASP A 61 3.442 -8.066 5.804 1.00 0.00 N ATOM 975 CA ASP A 61 2.340 -7.252 6.346 1.00 0.00 C ATOM 976 C ASP A 61 0.977 -7.704 5.805 1.00 0.00 C ATOM 977 O ASP A 61 0.004 -7.816 6.548 1.00 0.00 O ATOM 978 CB ASP A 61 2.613 -5.770 6.002 1.00 0.00 C ATOM 979 CG ASP A 61 1.636 -4.771 6.603 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.335 -4.871 7.809 1.00 0.00 O ATOM 981 OD2 ASP A 61 1.262 -3.798 5.910 1.00 0.00 O ATOM 0 H ASP A 61 4.124 -7.516 5.282 1.00 0.00 H new ATOM 0 HA ASP A 61 2.298 -7.380 7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.619 -5.516 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.600 -5.658 4.918 1.00 0.00 H new ATOM 986 N LEU A 62 0.944 -8.020 4.534 1.00 0.00 N ATOM 987 CA LEU A 62 -0.265 -8.425 3.839 1.00 0.00 C ATOM 988 C LEU A 62 -0.671 -9.860 4.204 1.00 0.00 C ATOM 989 O LEU A 62 -1.858 -10.159 4.371 1.00 0.00 O ATOM 990 CB LEU A 62 -0.036 -8.309 2.329 1.00 0.00 C ATOM 991 CG LEU A 62 -1.243 -8.439 1.426 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.223 -7.328 1.718 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.810 -8.389 -0.027 1.00 0.00 C ATOM 0 H LEU A 62 1.771 -8.004 3.937 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.079 -7.767 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.428 -7.342 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.685 -9.073 2.039 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.729 -9.396 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.090 -7.427 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.543 -7.389 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.744 -6.365 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.685 -8.483 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.313 -7.439 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.120 -9.208 -0.230 1.00 0.00 H new ATOM 1005 N ASN A 63 0.309 -10.744 4.337 1.00 0.00 N ATOM 1006 CA ASN A 63 0.028 -12.153 4.651 1.00 0.00 C ATOM 1007 C ASN A 63 -0.452 -12.321 6.083 1.00 0.00 C ATOM 1008 O ASN A 63 -1.259 -13.210 6.374 1.00 0.00 O ATOM 1009 CB ASN A 63 1.241 -13.074 4.399 1.00 0.00 C ATOM 1010 CG ASN A 63 1.643 -13.236 2.933 1.00 0.00 C ATOM 1011 OD1 ASN A 63 2.822 -13.369 2.626 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.694 -13.317 2.035 1.00 0.00 N ATOM 0 H ASN A 63 1.299 -10.521 4.235 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.768 -12.455 3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.095 -12.683 4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.020 -14.059 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.930 -13.494 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.281 -13.203 2.312 1.00 0.00 H new ATOM 1019 N ILE A 64 0.016 -11.471 6.977 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.388 -11.574 8.375 1.00 0.00 C ATOM 1021 C ILE A 64 -1.693 -10.819 8.640 1.00 0.00 C ATOM 1022 O ILE A 64 -2.330 -11.009 9.673 1.00 0.00 O ATOM 1023 CB ILE A 64 0.717 -11.094 9.356 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.037 -9.600 9.152 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.972 -11.950 9.191 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.078 -9.042 10.105 1.00 0.00 C ATOM 0 H ILE A 64 0.665 -10.712 6.770 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.553 -12.635 8.562 1.00 0.00 H new ATOM 0 HB ILE A 64 0.346 -11.211 10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.383 -9.452 8.129 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.117 -9.026 9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.741 -11.606 9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.732 -12.992 9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.339 -11.864 8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.240 -7.986 9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.728 -9.153 11.131 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.014 -9.586 9.980 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.090 -9.995 7.693 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.299 -9.192 7.821 1.00 0.00 C ATOM 1040 C ASP A 65 -4.546 -10.017 7.481 1.00 0.00 C ATOM 1041 O ASP A 65 -4.477 -10.950 6.666 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.214 -7.961 6.923 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.436 -7.112 7.026 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -4.561 -6.351 7.998 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.310 -7.219 6.168 1.00 0.00 O ATOM 0 H ASP A 65 -1.590 -9.860 6.814 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.382 -8.866 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.339 -7.372 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.076 -8.275 5.888 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.672 -9.689 8.097 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.881 -10.439 7.878 1.00 0.00 C ATOM 1052 C GLY A 66 -7.988 -9.650 7.182 1.00 0.00 C ATOM 1053 O GLY A 66 -9.142 -10.100 7.159 1.00 0.00 O ATOM 0 H GLY A 66 -5.765 -8.910 8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.646 -11.319 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.253 -10.796 8.838 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.668 -8.479 6.626 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.674 -7.687 5.897 1.00 0.00 C ATOM 1059 C ARG A 67 -8.536 -8.017 4.422 1.00 0.00 C ATOM 1060 O ARG A 67 -9.447 -7.807 3.608 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.476 -6.159 6.130 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.562 -5.444 5.124 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.075 -4.119 5.659 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.155 -4.334 6.762 1.00 0.00 N ATOM 1065 CZ ARG A 67 -5.811 -3.452 7.701 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.226 -2.205 7.656 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.002 -3.834 8.655 1.00 0.00 N ATOM 0 H ARG A 67 -6.739 -8.060 6.662 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.671 -7.937 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.454 -5.678 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.069 -6.013 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.707 -6.080 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.102 -5.284 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.580 -3.558 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.922 -3.519 5.993 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.727 -5.258 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.825 -1.894 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.949 -1.549 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.647 -4.790 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.726 -3.176 9.384 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.387 -8.543 4.094 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.059 -8.934 2.761 1.00 0.00 C ATOM 1083 C PHE A 68 -7.198 -10.418 2.584 1.00 0.00 C ATOM 1084 O PHE A 68 -7.209 -11.175 3.561 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.652 -8.508 2.425 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.608 -7.429 1.413 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.758 -6.109 1.775 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.414 -7.739 0.085 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.714 -5.124 0.824 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.370 -6.766 -0.863 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.520 -5.461 -0.499 1.00 0.00 C ATOM 0 H PHE A 68 -6.639 -8.713 4.766 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.756 -8.441 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.153 -8.170 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.094 -9.369 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.911 -5.849 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.295 -8.772 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.831 -4.089 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.217 -7.026 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.487 -4.687 -1.251 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.321 -10.830 1.358 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.439 -12.212 1.040 1.00 0.00 C ATOM 1103 C LEU A 69 -6.822 -12.507 -0.300 1.00 0.00 C ATOM 1104 O LEU A 69 -7.052 -11.775 -1.267 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.912 -12.635 1.011 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.184 -14.101 0.639 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.508 -15.058 1.613 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.676 -14.367 0.567 1.00 0.00 C ATOM 0 H LEU A 69 -7.342 -10.209 0.549 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.913 -12.773 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.344 -12.444 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.439 -11.997 0.302 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.755 -14.279 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.721 -16.086 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.431 -14.892 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.888 -14.881 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.847 -15.410 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.130 -14.159 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.124 -13.723 -0.189 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.015 -13.526 -0.342 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.550 -14.062 -1.581 1.00 0.00 C ATOM 1122 C ALA A 70 -6.586 -15.071 -1.990 1.00 0.00 C ATOM 1123 O ALA A 70 -6.763 -16.082 -1.312 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.195 -14.741 -1.421 1.00 0.00 C ATOM 0 H ALA A 70 -5.662 -14.008 0.485 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.416 -13.276 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.871 -15.138 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.465 -14.016 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.279 -15.556 -0.702 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.309 -14.781 -3.035 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.378 -15.651 -3.484 1.00 0.00 C ATOM 1132 C LEU A 71 -7.824 -16.969 -4.067 1.00 0.00 C ATOM 1133 O LEU A 71 -6.618 -17.237 -4.010 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.253 -14.962 -4.537 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.833 -13.585 -4.231 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.789 -13.221 -5.311 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.532 -13.513 -2.902 1.00 0.00 C ATOM 0 H LEU A 71 -7.181 -13.942 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.987 -15.878 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.663 -14.875 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.087 -15.628 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.999 -12.885 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.212 -12.238 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.266 -13.199 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.590 -13.959 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.920 -12.506 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.356 -14.226 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.827 -13.755 -2.107 1.00 0.00 H new ATOM 1149 N SER A 72 -8.719 -17.733 -4.660 1.00 0.00 N ATOM 1150 CA SER A 72 -8.493 -19.059 -5.231 1.00 0.00 C ATOM 1151 C SER A 72 -7.168 -19.217 -6.028 1.00 0.00 C ATOM 1152 O SER A 72 -6.534 -20.270 -5.966 1.00 0.00 O ATOM 1153 CB SER A 72 -9.679 -19.365 -6.118 1.00 0.00 C ATOM 1154 OG SER A 72 -10.888 -19.039 -5.433 1.00 0.00 O ATOM 0 H SER A 72 -9.688 -17.431 -4.766 1.00 0.00 H new ATOM 0 HA SER A 72 -8.392 -19.763 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.609 -18.795 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.678 -20.420 -6.392 1.00 0.00 H new ATOM 0 HG SER A 72 -11.655 -19.237 -6.011 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.752 -18.201 -6.770 1.00 0.00 N ATOM 1161 CA ASP A 73 -5.492 -18.308 -7.518 1.00 0.00 C ATOM 1162 C ASP A 73 -4.499 -17.237 -7.117 1.00 0.00 C ATOM 1163 O ASP A 73 -3.590 -16.900 -7.866 1.00 0.00 O ATOM 1164 CB ASP A 73 -5.678 -18.400 -9.061 1.00 0.00 C ATOM 1165 CG ASP A 73 -6.239 -17.164 -9.739 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -7.467 -16.983 -9.741 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -5.468 -16.382 -10.339 1.00 0.00 O ATOM 0 H ASP A 73 -7.246 -17.315 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.064 -19.268 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.712 -18.629 -9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.338 -19.240 -9.278 1.00 0.00 H new ATOM 1172 N GLN A 74 -4.645 -16.769 -5.879 1.00 0.00 N ATOM 1173 CA GLN A 74 -3.728 -15.805 -5.241 1.00 0.00 C ATOM 1174 C GLN A 74 -3.867 -14.425 -5.771 1.00 0.00 C ATOM 1175 O GLN A 74 -2.988 -13.579 -5.616 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.265 -16.293 -5.174 1.00 0.00 C ATOM 1177 CG GLN A 74 -1.941 -17.076 -3.894 1.00 0.00 C ATOM 1178 CD GLN A 74 -2.868 -18.257 -3.627 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -3.141 -18.594 -2.481 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -3.289 -18.930 -4.654 1.00 0.00 N ATOM 0 H GLN A 74 -5.416 -17.050 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.052 -15.749 -4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.061 -16.924 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.599 -15.433 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.916 -17.441 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.986 -16.395 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.046 -18.626 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.862 -19.762 -4.518 1.00 0.00 H new ATOM 1189 N THR A 75 -4.986 -14.204 -6.363 1.00 0.00 N ATOM 1190 CA THR A 75 -5.396 -12.896 -6.769 1.00 0.00 C ATOM 1191 C THR A 75 -5.741 -12.175 -5.472 1.00 0.00 C ATOM 1192 O THR A 75 -6.361 -12.785 -4.595 1.00 0.00 O ATOM 1193 CB THR A 75 -6.673 -13.024 -7.592 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.620 -14.252 -8.324 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.798 -11.876 -8.573 1.00 0.00 C ATOM 0 H THR A 75 -5.659 -14.937 -6.586 1.00 0.00 H new ATOM 0 HA THR A 75 -4.634 -12.380 -7.353 1.00 0.00 H new ATOM 0 HB THR A 75 -7.532 -13.006 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.436 -14.350 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.716 -11.988 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.825 -10.933 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.943 -11.880 -9.249 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.397 -10.940 -5.320 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.643 -10.327 -4.070 1.00 0.00 C ATOM 1205 C TRP A 76 -6.941 -9.603 -4.088 1.00 0.00 C ATOM 1206 O TRP A 76 -7.400 -9.126 -5.137 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.498 -9.419 -3.646 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.235 -10.166 -3.330 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.188 -10.407 -4.165 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -2.896 -10.777 -2.078 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.212 -11.117 -3.506 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.625 -11.357 -2.223 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.547 -10.882 -0.847 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -0.992 -12.033 -1.177 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -2.921 -11.550 0.181 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.655 -12.114 0.008 1.00 0.00 C ATOM 0 H TRP A 76 -4.957 -10.353 -6.028 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.708 -11.116 -3.321 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.298 -8.702 -4.442 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.802 -8.847 -2.770 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.132 -10.087 -5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.324 -11.416 -3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.525 -10.447 -0.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.014 -12.474 -1.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.417 -11.639 1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.190 -12.628 0.837 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.572 -9.619 -2.973 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.791 -8.962 -2.794 1.00 0.00 C ATOM 1229 C GLY A 77 -9.053 -8.764 -1.345 1.00 0.00 C ATOM 1230 O GLY A 77 -8.145 -8.892 -0.527 1.00 0.00 O ATOM 0 H GLY A 77 -7.236 -10.106 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.773 -7.999 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.597 -9.544 -3.242 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.268 -8.524 -1.004 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.600 -8.233 0.352 1.00 0.00 C ATOM 1236 C LEU A 78 -11.293 -9.379 0.992 1.00 0.00 C ATOM 1237 O LEU A 78 -12.131 -10.042 0.385 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.483 -6.997 0.471 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.909 -5.696 -0.052 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.895 -4.571 0.175 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.577 -5.384 0.605 1.00 0.00 C ATOM 0 H LEU A 78 -11.058 -8.523 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.657 -8.042 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.416 -7.194 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.735 -6.859 1.522 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.733 -5.800 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.476 -3.638 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.825 -4.791 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.095 -4.472 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.188 -4.445 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.715 -5.296 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.870 -6.187 0.394 1.00 0.00 H new ATOM 1253 N ARG A 79 -10.941 -9.604 2.213 1.00 0.00 N ATOM 1254 CA ARG A 79 -11.592 -10.570 3.041 1.00 0.00 C ATOM 1255 C ARG A 79 -12.918 -9.920 3.431 1.00 0.00 C ATOM 1256 O ARG A 79 -13.948 -10.543 3.487 1.00 0.00 O ATOM 1257 CB ARG A 79 -10.726 -10.796 4.281 1.00 0.00 C ATOM 1258 CG ARG A 79 -10.993 -12.056 5.080 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.636 -13.301 4.283 1.00 0.00 C ATOM 1260 NE ARG A 79 -10.464 -14.479 5.139 1.00 0.00 N ATOM 1261 CZ ARG A 79 -10.484 -15.755 4.736 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -10.950 -16.077 3.529 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -10.080 -16.703 5.565 1.00 0.00 N ATOM 0 H ARG A 79 -10.176 -9.112 2.676 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.747 -11.531 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.682 -10.806 3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.852 -9.940 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.413 -12.034 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.045 -12.093 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.419 -13.498 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.716 -13.122 3.726 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.315 -14.310 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.295 -15.348 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.961 -17.052 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.757 -16.458 6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.091 -17.679 5.268 1.00 0.00 H new ATOM 1277 N SER A 80 -12.853 -8.612 3.581 1.00 0.00 N ATOM 1278 CA SER A 80 -13.965 -7.778 3.957 1.00 0.00 C ATOM 1279 C SER A 80 -15.011 -7.596 2.798 1.00 0.00 C ATOM 1280 O SER A 80 -15.870 -6.714 2.862 1.00 0.00 O ATOM 1281 CB SER A 80 -13.387 -6.435 4.387 1.00 0.00 C ATOM 1282 OG SER A 80 -12.271 -6.638 5.256 1.00 0.00 O ATOM 0 H SER A 80 -11.990 -8.087 3.438 1.00 0.00 H new ATOM 0 HA SER A 80 -14.516 -8.252 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.077 -5.866 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.151 -5.847 4.895 1.00 0.00 H new ATOM 0 HG SER A 80 -11.905 -5.770 5.526 1.00 0.00 H new ATOM 1288 N TRP A 81 -14.911 -8.399 1.738 1.00 0.00 N ATOM 1289 CA TRP A 81 -15.934 -8.401 0.684 1.00 0.00 C ATOM 1290 C TRP A 81 -16.998 -9.396 1.019 1.00 0.00 C ATOM 1291 O TRP A 81 -18.104 -9.333 0.498 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.395 -8.815 -0.676 1.00 0.00 C ATOM 1293 CG TRP A 81 -14.672 -7.796 -1.461 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -14.914 -6.457 -1.515 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -13.648 -8.062 -2.400 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.063 -5.865 -2.406 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.280 -6.827 -2.970 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -12.984 -9.232 -2.808 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.297 -6.718 -3.923 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.001 -9.111 -3.766 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.672 -7.854 -4.312 1.00 0.00 C ATOM 0 H TRP A 81 -14.142 -9.051 1.584 1.00 0.00 H new ATOM 0 HA TRP A 81 -16.305 -7.377 0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.726 -9.663 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.233 -9.170 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.667 -5.939 -0.939 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.021 -4.867 -2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.236 -10.193 -2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.032 -5.761 -4.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.475 -9.992 -4.103 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.898 -7.795 -5.063 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.654 -10.320 1.858 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.513 -11.410 2.185 1.00 0.00 C ATOM 1314 C TYR A 82 -17.677 -11.411 3.699 1.00 0.00 C ATOM 1315 O TYR A 82 -16.977 -10.651 4.368 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.881 -12.730 1.695 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.503 -12.780 0.215 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -15.275 -12.291 -0.225 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -17.349 -13.343 -0.727 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -14.907 -12.361 -1.549 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -16.983 -13.410 -2.061 1.00 0.00 C ATOM 1322 CZ TYR A 82 -15.763 -12.918 -2.463 1.00 0.00 C ATOM 1323 OH TYR A 82 -15.385 -13.003 -3.791 1.00 0.00 O ATOM 0 H TYR A 82 -15.756 -10.338 2.341 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.486 -11.312 1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.985 -12.923 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.579 -13.542 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.597 -11.847 0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.306 -13.735 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.948 -11.979 -1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.655 -13.848 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.103 -13.424 -4.309 1.00 0.00 H new