USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 163:sc= 1.06 (180deg=0.859) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -1.19! C(o=-1.2!,f=-3.1!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.37) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0.986 (180deg=0.833) USER MOD Single : A 19 SER OG : rot 109:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -0.546 (180deg=-1.77!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.171 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 167:sc= -0.353 USER MOD Single : A 44 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.02) USER MOD Single : A 49 THR OG1 : rot 173:sc= 1.02 USER MOD Single : A 53 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.3) USER MOD Single : A 54 GLN : amide:sc= -0.0569 K(o=-0.057,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.841 -0.554 -7.574 1.00 0.00 N ATOM 2 CA SER A 1 -20.405 -1.184 -6.399 1.00 0.00 C ATOM 3 C SER A 1 -20.113 -2.664 -6.487 1.00 0.00 C ATOM 4 O SER A 1 -20.831 -3.398 -7.163 1.00 0.00 O ATOM 5 CB SER A 1 -21.922 -0.920 -6.329 1.00 0.00 C ATOM 6 OG SER A 1 -22.491 -1.398 -5.125 1.00 0.00 O ATOM 0 H1 SER A 1 -20.259 0.390 -7.696 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.811 -0.465 -7.459 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.047 -1.135 -8.412 1.00 0.00 H new ATOM 0 HA SER A 1 -19.963 -0.773 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.108 0.150 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.412 -1.399 -7.176 1.00 0.00 H new ATOM 0 HG SER A 1 -23.453 -1.209 -5.120 1.00 0.00 H new ATOM 14 N ASN A 2 -19.027 -3.063 -5.878 1.00 0.00 N ATOM 15 CA ASN A 2 -18.535 -4.420 -5.883 1.00 0.00 C ATOM 16 C ASN A 2 -17.389 -4.422 -4.893 1.00 0.00 C ATOM 17 O ASN A 2 -17.223 -3.434 -4.170 1.00 0.00 O ATOM 18 CB ASN A 2 -18.068 -4.801 -7.332 1.00 0.00 C ATOM 19 CG ASN A 2 -17.575 -6.233 -7.497 1.00 0.00 C ATOM 20 OD1 ASN A 2 -17.988 -7.136 -6.782 1.00 0.00 O ATOM 21 ND2 ASN A 2 -16.684 -6.443 -8.429 1.00 0.00 N ATOM 0 H ASN A 2 -18.436 -2.427 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 2 -19.289 -5.155 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -18.898 -4.638 -8.019 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -17.269 -4.122 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -16.312 -7.381 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -16.360 -5.669 -9.009 1.00 0.00 H new ATOM 28 N ALA A 3 -16.644 -5.477 -4.821 1.00 0.00 N ATOM 29 CA ALA A 3 -15.514 -5.541 -3.941 1.00 0.00 C ATOM 30 C ALA A 3 -14.217 -5.459 -4.756 1.00 0.00 C ATOM 31 O ALA A 3 -13.177 -6.002 -4.352 1.00 0.00 O ATOM 32 CB ALA A 3 -15.567 -6.837 -3.143 1.00 0.00 C ATOM 0 H ALA A 3 -16.799 -6.322 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.539 -4.700 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.708 -6.887 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.486 -6.867 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.545 -7.686 -3.826 1.00 0.00 H new ATOM 38 N MET A 4 -14.266 -4.755 -5.883 1.00 0.00 N ATOM 39 CA MET A 4 -13.107 -4.676 -6.773 1.00 0.00 C ATOM 40 C MET A 4 -12.498 -3.287 -6.749 1.00 0.00 C ATOM 41 O MET A 4 -11.293 -3.096 -6.999 1.00 0.00 O ATOM 42 CB MET A 4 -13.506 -5.086 -8.196 1.00 0.00 C ATOM 43 CG MET A 4 -12.368 -5.072 -9.207 1.00 0.00 C ATOM 44 SD MET A 4 -12.897 -5.610 -10.846 1.00 0.00 S ATOM 45 CE MET A 4 -11.370 -5.444 -11.765 1.00 0.00 C ATOM 0 H MET A 4 -15.084 -4.236 -6.201 1.00 0.00 H new ATOM 0 HA MET A 4 -12.346 -5.371 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 4 -13.933 -6.089 -8.164 1.00 0.00 H new ATOM 0 HB3 MET A 4 -14.292 -4.416 -8.545 1.00 0.00 H new ATOM 0 HG2 MET A 4 -11.957 -4.065 -9.273 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.566 -5.721 -8.856 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.535 -5.741 -12.801 1.00 0.00 H new ATOM 0 HE2 MET A 4 -11.037 -4.407 -11.733 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.607 -6.084 -11.321 1.00 0.00 H new ATOM 55 N GLU A 5 -13.311 -2.353 -6.435 1.00 0.00 N ATOM 56 CA GLU A 5 -12.928 -1.000 -6.294 1.00 0.00 C ATOM 57 C GLU A 5 -12.486 -0.759 -4.873 1.00 0.00 C ATOM 58 O GLU A 5 -13.047 -1.308 -3.923 1.00 0.00 O ATOM 59 CB GLU A 5 -14.048 -0.011 -6.716 1.00 0.00 C ATOM 60 CG GLU A 5 -15.424 -0.232 -6.068 1.00 0.00 C ATOM 61 CD GLU A 5 -16.265 -1.294 -6.758 1.00 0.00 C ATOM 62 OE1 GLU A 5 -15.925 -2.492 -6.697 1.00 0.00 O ATOM 63 OE2 GLU A 5 -17.319 -0.931 -7.341 1.00 0.00 O ATOM 0 H GLU A 5 -14.303 -2.515 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.097 -0.809 -6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.718 1.001 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.165 -0.067 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.283 -0.515 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.972 0.710 -6.071 1.00 0.00 H new ATOM 70 N LEU A 6 -11.478 0.027 -4.732 1.00 0.00 N ATOM 71 CA LEU A 6 -10.912 0.291 -3.442 1.00 0.00 C ATOM 72 C LEU A 6 -11.503 1.493 -2.785 1.00 0.00 C ATOM 73 O LEU A 6 -11.082 2.621 -3.045 1.00 0.00 O ATOM 74 CB LEU A 6 -9.409 0.467 -3.517 1.00 0.00 C ATOM 75 CG LEU A 6 -8.599 -0.725 -4.006 1.00 0.00 C ATOM 76 CD1 LEU A 6 -7.135 -0.344 -4.085 1.00 0.00 C ATOM 77 CD2 LEU A 6 -8.789 -1.929 -3.085 1.00 0.00 C ATOM 0 H LEU A 6 -11.017 0.509 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.150 -0.584 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.199 1.312 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.049 0.737 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.952 -1.006 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.555 -1.198 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.012 0.487 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.783 -0.047 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.200 -2.768 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.460 -1.672 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.843 -2.207 -3.063 1.00 0.00 H new ATOM 89 N ASP A 7 -12.493 1.273 -1.985 1.00 0.00 N ATOM 90 CA ASP A 7 -12.953 2.317 -1.110 1.00 0.00 C ATOM 91 C ASP A 7 -12.283 2.107 0.194 1.00 0.00 C ATOM 92 O ASP A 7 -12.712 1.320 1.033 1.00 0.00 O ATOM 93 CB ASP A 7 -14.464 2.414 -0.941 1.00 0.00 C ATOM 94 CG ASP A 7 -14.834 3.493 0.087 1.00 0.00 C ATOM 95 OD1 ASP A 7 -14.202 4.590 0.067 1.00 0.00 O ATOM 96 OD2 ASP A 7 -15.746 3.257 0.901 1.00 0.00 O ATOM 0 H ASP A 7 -13.000 0.391 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.692 3.273 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.927 2.646 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.860 1.450 -0.621 1.00 0.00 H new ATOM 101 N LEU A 8 -11.147 2.682 0.277 1.00 0.00 N ATOM 102 CA LEU A 8 -10.323 2.593 1.413 1.00 0.00 C ATOM 103 C LEU A 8 -10.049 3.984 1.876 1.00 0.00 C ATOM 104 O LEU A 8 -9.599 4.836 1.095 1.00 0.00 O ATOM 105 CB LEU A 8 -9.028 1.872 1.067 1.00 0.00 C ATOM 106 CG LEU A 8 -9.131 0.391 0.682 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.764 -0.140 0.293 1.00 0.00 C ATOM 108 CD2 LEU A 8 -9.705 -0.433 1.828 1.00 0.00 C ATOM 0 H LEU A 8 -10.752 3.249 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.812 2.024 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.556 2.404 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.358 1.953 1.923 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.806 0.306 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.846 -1.192 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.382 0.426 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.080 -0.035 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.767 -1.479 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.058 -0.343 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.701 -0.067 2.076 1.00 0.00 H new ATOM 120 N GLN A 9 -10.318 4.222 3.109 1.00 0.00 N ATOM 121 CA GLN A 9 -10.206 5.518 3.656 1.00 0.00 C ATOM 122 C GLN A 9 -8.784 5.801 4.103 1.00 0.00 C ATOM 123 O GLN A 9 -8.020 4.876 4.409 1.00 0.00 O ATOM 124 CB GLN A 9 -11.200 5.718 4.801 1.00 0.00 C ATOM 125 CG GLN A 9 -12.663 5.803 4.366 1.00 0.00 C ATOM 126 CD GLN A 9 -12.883 6.898 3.333 1.00 0.00 C ATOM 127 OE1 GLN A 9 -13.079 8.056 3.685 1.00 0.00 O ATOM 128 NE2 GLN A 9 -12.944 6.540 2.075 1.00 0.00 N ATOM 0 H GLN A 9 -10.626 3.510 3.772 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.454 6.235 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.092 4.894 5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.940 6.632 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.975 4.844 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.291 5.993 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.776 5.569 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -13.159 7.232 1.358 1.00 0.00 H new ATOM 137 N PRO A 10 -8.397 7.078 4.126 1.00 0.00 N ATOM 138 CA PRO A 10 -7.078 7.475 4.547 1.00 0.00 C ATOM 139 C PRO A 10 -6.869 7.185 6.035 1.00 0.00 C ATOM 140 O PRO A 10 -7.372 7.890 6.909 1.00 0.00 O ATOM 141 CB PRO A 10 -7.011 8.976 4.261 1.00 0.00 C ATOM 142 CG PRO A 10 -8.256 9.318 3.504 1.00 0.00 C ATOM 143 CD PRO A 10 -9.235 8.226 3.769 1.00 0.00 C ATOM 0 HA PRO A 10 -6.296 6.926 4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.952 9.546 5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.123 9.221 3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.653 10.280 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.049 9.401 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.917 8.489 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.846 8.016 2.891 1.00 0.00 H new ATOM 151 N GLY A 11 -6.149 6.138 6.300 1.00 0.00 N ATOM 152 CA GLY A 11 -5.940 5.683 7.633 1.00 0.00 C ATOM 153 C GLY A 11 -5.949 4.183 7.701 1.00 0.00 C ATOM 154 O GLY A 11 -5.460 3.608 8.670 1.00 0.00 O ATOM 0 H GLY A 11 -5.687 5.573 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.987 6.061 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.717 6.084 8.283 1.00 0.00 H new ATOM 158 N ASP A 12 -6.473 3.562 6.649 1.00 0.00 N ATOM 159 CA ASP A 12 -6.610 2.104 6.565 1.00 0.00 C ATOM 160 C ASP A 12 -5.227 1.471 6.410 1.00 0.00 C ATOM 161 O ASP A 12 -4.279 2.142 5.959 1.00 0.00 O ATOM 162 CB ASP A 12 -7.466 1.742 5.351 1.00 0.00 C ATOM 163 CG ASP A 12 -8.166 0.400 5.486 1.00 0.00 C ATOM 164 OD1 ASP A 12 -9.410 0.393 5.517 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.477 -0.630 5.586 1.00 0.00 O ATOM 0 H ASP A 12 -6.817 4.054 5.825 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.085 1.732 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.214 2.520 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.835 1.727 4.462 1.00 0.00 H new ATOM 170 N VAL A 13 -5.112 0.211 6.733 1.00 0.00 N ATOM 171 CA VAL A 13 -3.849 -0.502 6.696 1.00 0.00 C ATOM 172 C VAL A 13 -4.064 -1.818 5.965 1.00 0.00 C ATOM 173 O VAL A 13 -4.763 -2.706 6.447 1.00 0.00 O ATOM 174 CB VAL A 13 -3.263 -0.786 8.118 1.00 0.00 C ATOM 175 CG1 VAL A 13 -1.896 -1.458 8.015 1.00 0.00 C ATOM 176 CG2 VAL A 13 -3.155 0.494 8.945 1.00 0.00 C ATOM 0 H VAL A 13 -5.899 -0.363 7.034 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.125 0.129 6.180 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.952 -1.461 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.507 -1.646 9.016 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.994 -2.403 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.209 -0.805 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.744 0.259 9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.499 1.201 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.144 0.936 9.062 1.00 0.00 H new ATOM 186 N VAL A 14 -3.454 -1.938 4.827 1.00 0.00 N ATOM 187 CA VAL A 14 -3.651 -3.067 3.948 1.00 0.00 C ATOM 188 C VAL A 14 -2.318 -3.622 3.485 1.00 0.00 C ATOM 189 O VAL A 14 -1.267 -3.019 3.713 1.00 0.00 O ATOM 190 CB VAL A 14 -4.481 -2.638 2.700 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.915 -2.289 3.086 1.00 0.00 C ATOM 192 CG2 VAL A 14 -3.828 -1.430 2.025 1.00 0.00 C ATOM 0 H VAL A 14 -2.793 -1.248 4.470 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.189 -3.836 4.502 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.503 -3.479 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.470 -1.994 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.392 -3.158 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.909 -1.465 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.415 -1.138 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.785 -0.599 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.818 -1.691 1.710 1.00 0.00 H new ATOM 202 N LYS A 15 -2.357 -4.768 2.868 1.00 0.00 N ATOM 203 CA LYS A 15 -1.193 -5.341 2.275 1.00 0.00 C ATOM 204 C LYS A 15 -1.272 -5.134 0.792 1.00 0.00 C ATOM 205 O LYS A 15 -2.276 -5.494 0.147 1.00 0.00 O ATOM 206 CB LYS A 15 -1.037 -6.823 2.638 1.00 0.00 C ATOM 207 CG LYS A 15 -2.323 -7.623 2.573 1.00 0.00 C ATOM 208 CD LYS A 15 -2.068 -9.098 2.772 1.00 0.00 C ATOM 209 CE LYS A 15 -3.357 -9.897 2.689 1.00 0.00 C ATOM 210 NZ LYS A 15 -3.152 -11.337 2.969 1.00 0.00 N ATOM 0 H LYS A 15 -3.202 -5.330 2.764 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.304 -4.846 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.308 -7.275 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.628 -6.896 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.014 -7.266 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.804 -7.463 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.368 -9.453 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.599 -9.260 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.078 -9.491 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.789 -9.782 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.055 -11.843 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.459 -11.726 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.798 -11.455 3.940 1.00 0.00 H new ATOM 224 N VAL A 16 -0.264 -4.519 0.266 1.00 0.00 N ATOM 225 CA VAL A 16 -0.207 -4.200 -1.122 1.00 0.00 C ATOM 226 C VAL A 16 1.037 -4.807 -1.702 1.00 0.00 C ATOM 227 O VAL A 16 2.124 -4.659 -1.147 1.00 0.00 O ATOM 228 CB VAL A 16 -0.165 -2.660 -1.361 1.00 0.00 C ATOM 229 CG1 VAL A 16 -0.239 -2.320 -2.847 1.00 0.00 C ATOM 230 CG2 VAL A 16 -1.261 -1.949 -0.586 1.00 0.00 C ATOM 0 H VAL A 16 0.554 -4.220 0.796 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.104 -4.595 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 16 0.795 -2.302 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.207 -1.238 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.606 -2.772 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.169 -2.707 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.203 -0.877 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.234 -2.322 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.133 -2.137 0.480 1.00 0.00 H new ATOM 240 N LEU A 17 0.892 -5.514 -2.764 1.00 0.00 N ATOM 241 CA LEU A 17 2.034 -6.030 -3.435 1.00 0.00 C ATOM 242 C LEU A 17 2.435 -5.016 -4.468 1.00 0.00 C ATOM 243 O LEU A 17 1.724 -4.793 -5.454 1.00 0.00 O ATOM 244 CB LEU A 17 1.781 -7.455 -4.018 1.00 0.00 C ATOM 245 CG LEU A 17 2.954 -8.171 -4.752 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.684 -9.662 -4.820 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.134 -7.655 -6.179 1.00 0.00 C ATOM 0 H LEU A 17 -0.005 -5.750 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 17 2.859 -6.177 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.460 -8.098 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.946 -7.386 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 17 3.862 -7.964 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.507 -10.158 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.594 -10.062 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.757 -9.839 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.962 -8.181 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.220 -7.829 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.349 -6.587 -6.155 1.00 0.00 H new ATOM 259 N GLU A 18 3.507 -4.329 -4.182 1.00 0.00 N ATOM 260 CA GLU A 18 4.027 -3.342 -5.095 1.00 0.00 C ATOM 261 C GLU A 18 4.694 -4.043 -6.267 1.00 0.00 C ATOM 262 O GLU A 18 4.182 -4.086 -7.381 1.00 0.00 O ATOM 263 CB GLU A 18 5.081 -2.465 -4.421 1.00 0.00 C ATOM 264 CG GLU A 18 5.692 -1.458 -5.385 1.00 0.00 C ATOM 265 CD GLU A 18 6.975 -0.888 -4.904 1.00 0.00 C ATOM 266 OE1 GLU A 18 8.050 -1.370 -5.353 1.00 0.00 O ATOM 267 OE2 GLU A 18 6.962 0.021 -4.078 1.00 0.00 O ATOM 0 H GLU A 18 4.042 -4.434 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 18 3.194 -2.721 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.628 -1.935 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.869 -3.097 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.856 -1.941 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.982 -0.648 -5.551 1.00 0.00 H new ATOM 274 N SER A 19 5.803 -4.647 -5.955 1.00 0.00 N ATOM 275 CA SER A 19 6.652 -5.255 -6.900 1.00 0.00 C ATOM 276 C SER A 19 6.864 -6.704 -6.512 1.00 0.00 C ATOM 277 O SER A 19 6.883 -7.034 -5.319 1.00 0.00 O ATOM 278 CB SER A 19 7.977 -4.480 -6.918 1.00 0.00 C ATOM 279 OG SER A 19 7.802 -3.169 -7.406 1.00 0.00 O ATOM 0 H SER A 19 6.141 -4.725 -4.996 1.00 0.00 H new ATOM 0 HA SER A 19 6.215 -5.233 -7.899 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.391 -4.442 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.700 -5.008 -7.540 1.00 0.00 H new ATOM 0 HG SER A 19 7.906 -2.530 -6.671 1.00 0.00 H new ATOM 285 N ALA A 20 7.036 -7.562 -7.507 1.00 0.00 N ATOM 286 CA ALA A 20 7.204 -9.006 -7.296 1.00 0.00 C ATOM 287 C ALA A 20 8.455 -9.334 -6.476 1.00 0.00 C ATOM 288 O ALA A 20 8.524 -10.362 -5.838 1.00 0.00 O ATOM 289 CB ALA A 20 7.239 -9.732 -8.633 1.00 0.00 C ATOM 0 H ALA A 20 7.064 -7.283 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 20 6.345 -9.351 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.364 -10.801 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.305 -9.556 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.073 -9.359 -9.228 1.00 0.00 H new ATOM 295 N ALA A 21 9.420 -8.430 -6.484 1.00 0.00 N ATOM 296 CA ALA A 21 10.666 -8.629 -5.749 1.00 0.00 C ATOM 297 C ALA A 21 10.535 -8.183 -4.291 1.00 0.00 C ATOM 298 O ALA A 21 11.475 -8.284 -3.520 1.00 0.00 O ATOM 299 CB ALA A 21 11.803 -7.885 -6.436 1.00 0.00 C ATOM 0 H ALA A 21 9.368 -7.547 -6.992 1.00 0.00 H new ATOM 0 HA ALA A 21 10.890 -9.696 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.728 -8.040 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.923 -8.262 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.573 -6.820 -6.469 1.00 0.00 H new ATOM 305 N LEU A 22 9.371 -7.673 -3.935 1.00 0.00 N ATOM 306 CA LEU A 22 9.113 -7.230 -2.570 1.00 0.00 C ATOM 307 C LEU A 22 7.966 -8.025 -1.985 1.00 0.00 C ATOM 308 O LEU A 22 7.996 -8.428 -0.829 1.00 0.00 O ATOM 309 CB LEU A 22 8.779 -5.730 -2.522 1.00 0.00 C ATOM 310 CG LEU A 22 9.870 -4.762 -2.995 1.00 0.00 C ATOM 311 CD1 LEU A 22 9.373 -3.331 -2.907 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.141 -4.928 -2.169 1.00 0.00 C ATOM 0 H LEU A 22 8.584 -7.553 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 22 10.017 -7.396 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.889 -5.561 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.519 -5.473 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 22 10.105 -4.994 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.156 -2.652 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.492 -3.212 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.113 -3.099 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.899 -4.230 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.923 -4.724 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.510 -5.948 -2.271 1.00 0.00 H new ATOM 324 N GLY A 23 6.949 -8.233 -2.792 1.00 0.00 N ATOM 325 CA GLY A 23 5.816 -8.975 -2.354 1.00 0.00 C ATOM 326 C GLY A 23 4.811 -8.081 -1.686 1.00 0.00 C ATOM 327 O GLY A 23 4.767 -6.870 -1.953 1.00 0.00 O ATOM 0 H GLY A 23 6.895 -7.894 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.354 -9.475 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.133 -9.754 -1.660 1.00 0.00 H new ATOM 331 N TRP A 24 4.002 -8.671 -0.858 1.00 0.00 N ATOM 332 CA TRP A 24 2.991 -7.966 -0.115 1.00 0.00 C ATOM 333 C TRP A 24 3.603 -7.187 1.036 1.00 0.00 C ATOM 334 O TRP A 24 4.076 -7.765 2.029 1.00 0.00 O ATOM 335 CB TRP A 24 1.942 -8.950 0.417 1.00 0.00 C ATOM 336 CG TRP A 24 1.212 -9.671 -0.666 1.00 0.00 C ATOM 337 CD1 TRP A 24 1.533 -10.874 -1.226 1.00 0.00 C ATOM 338 CD2 TRP A 24 0.048 -9.214 -1.334 1.00 0.00 C ATOM 339 NE1 TRP A 24 0.627 -11.189 -2.206 1.00 0.00 N ATOM 340 CE2 TRP A 24 -0.293 -10.182 -2.296 1.00 0.00 C ATOM 341 CE3 TRP A 24 -0.737 -8.078 -1.213 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -1.391 -10.040 -3.134 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -1.819 -7.935 -2.040 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.139 -8.910 -2.994 1.00 0.00 C ATOM 0 H TRP A 24 4.023 -9.674 -0.674 1.00 0.00 H new ATOM 0 HA TRP A 24 2.509 -7.258 -0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.431 -9.678 1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.224 -8.408 1.032 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.375 -11.486 -0.940 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.638 -12.036 -2.775 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.500 -7.320 -0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.641 -10.794 -3.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.438 -7.054 -1.955 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.998 -8.762 -3.632 1.00 0.00 H new ATOM 355 N VAL A 25 3.607 -5.901 0.902 1.00 0.00 N ATOM 356 CA VAL A 25 4.107 -5.037 1.919 1.00 0.00 C ATOM 357 C VAL A 25 2.935 -4.344 2.576 1.00 0.00 C ATOM 358 O VAL A 25 1.924 -4.070 1.927 1.00 0.00 O ATOM 359 CB VAL A 25 5.157 -4.009 1.383 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.421 -4.727 0.926 1.00 0.00 C ATOM 361 CG2 VAL A 25 4.594 -3.179 0.236 1.00 0.00 C ATOM 0 H VAL A 25 3.259 -5.416 0.075 1.00 0.00 H new ATOM 0 HA VAL A 25 4.644 -5.638 2.653 1.00 0.00 H new ATOM 0 HB VAL A 25 5.401 -3.334 2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.141 -3.997 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.854 -5.271 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.173 -5.428 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.352 -2.476 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.308 -3.838 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.719 -2.628 0.581 1.00 0.00 H new ATOM 371 N ARG A 26 3.036 -4.105 3.847 1.00 0.00 N ATOM 372 CA ARG A 26 1.994 -3.518 4.571 1.00 0.00 C ATOM 373 C ARG A 26 2.051 -2.016 4.446 1.00 0.00 C ATOM 374 O ARG A 26 3.083 -1.395 4.700 1.00 0.00 O ATOM 375 CB ARG A 26 1.949 -4.015 6.034 1.00 0.00 C ATOM 376 CG ARG A 26 3.263 -4.073 6.857 1.00 0.00 C ATOM 377 CD ARG A 26 4.229 -5.188 6.407 1.00 0.00 C ATOM 378 NE ARG A 26 5.379 -4.644 5.678 1.00 0.00 N ATOM 379 CZ ARG A 26 6.272 -5.313 4.937 1.00 0.00 C ATOM 380 NH1 ARG A 26 5.999 -6.542 4.475 1.00 0.00 N ATOM 381 NH2 ARG A 26 7.413 -4.706 4.605 1.00 0.00 N ATOM 0 H ARG A 26 3.864 -4.322 4.402 1.00 0.00 H new ATOM 0 HA ARG A 26 1.047 -3.838 4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.251 -3.376 6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.523 -5.018 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.771 -3.112 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.016 -4.221 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.579 -5.741 7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.697 -5.897 5.772 1.00 0.00 H new ATOM 0 HE ARG A 26 5.515 -3.635 5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.102 -6.979 4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.688 -7.040 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.591 -3.751 4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.107 -5.197 4.041 1.00 0.00 H new ATOM 395 N ALA A 27 0.967 -1.448 4.014 1.00 0.00 N ATOM 396 CA ALA A 27 0.917 -0.053 3.728 1.00 0.00 C ATOM 397 C ALA A 27 -0.328 0.574 4.282 1.00 0.00 C ATOM 398 O ALA A 27 -1.362 -0.079 4.424 1.00 0.00 O ATOM 399 CB ALA A 27 0.994 0.165 2.228 1.00 0.00 C ATOM 0 H ALA A 27 0.091 -1.944 3.850 1.00 0.00 H new ATOM 0 HA ALA A 27 1.771 0.426 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.955 1.233 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.928 -0.248 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.154 -0.333 1.744 1.00 0.00 H new ATOM 405 N ARG A 28 -0.228 1.831 4.588 1.00 0.00 N ATOM 406 CA ARG A 28 -1.344 2.577 5.093 1.00 0.00 C ATOM 407 C ARG A 28 -1.830 3.491 4.019 1.00 0.00 C ATOM 408 O ARG A 28 -1.024 4.180 3.389 1.00 0.00 O ATOM 409 CB ARG A 28 -0.957 3.394 6.340 1.00 0.00 C ATOM 410 CG ARG A 28 -2.055 4.354 6.793 1.00 0.00 C ATOM 411 CD ARG A 28 -1.672 5.157 8.018 1.00 0.00 C ATOM 412 NE ARG A 28 -2.683 6.193 8.304 1.00 0.00 N ATOM 413 CZ ARG A 28 -2.987 6.687 9.519 1.00 0.00 C ATOM 414 NH1 ARG A 28 -2.379 6.209 10.612 1.00 0.00 N ATOM 415 NH2 ARG A 28 -3.917 7.647 9.635 1.00 0.00 N ATOM 0 H ARG A 28 0.632 2.372 4.495 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.130 1.881 5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.721 2.711 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.051 3.962 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.292 5.037 5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.961 3.786 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.572 4.493 8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.700 5.625 7.862 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.199 6.569 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.683 5.468 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.612 6.586 11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.391 8.000 8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.150 8.023 10.554 1.00 0.00 H new ATOM 429 N VAL A 29 -3.121 3.484 3.789 1.00 0.00 N ATOM 430 CA VAL A 29 -3.727 4.385 2.842 1.00 0.00 C ATOM 431 C VAL A 29 -3.610 5.760 3.426 1.00 0.00 C ATOM 432 O VAL A 29 -4.153 6.033 4.490 1.00 0.00 O ATOM 433 CB VAL A 29 -5.222 4.049 2.611 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.830 4.952 1.537 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.402 2.581 2.248 1.00 0.00 C ATOM 0 H VAL A 29 -3.778 2.856 4.252 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.226 4.304 1.877 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.752 4.234 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.880 4.694 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.751 5.993 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.293 4.814 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.460 2.372 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.850 2.362 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.025 1.957 3.058 1.00 0.00 H new ATOM 445 N ILE A 30 -2.849 6.588 2.796 1.00 0.00 N ATOM 446 CA ILE A 30 -2.658 7.909 3.301 1.00 0.00 C ATOM 447 C ILE A 30 -3.672 8.829 2.711 1.00 0.00 C ATOM 448 O ILE A 30 -4.220 9.697 3.384 1.00 0.00 O ATOM 449 CB ILE A 30 -1.224 8.459 3.049 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.185 7.633 3.820 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.115 9.950 3.420 1.00 0.00 C ATOM 452 CD1 ILE A 30 1.224 8.183 3.723 1.00 0.00 C ATOM 0 H ILE A 30 -2.349 6.377 1.932 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.785 7.856 4.382 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.019 8.369 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.476 7.587 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.193 6.611 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.100 10.299 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.815 10.527 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.353 10.081 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.903 7.548 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.536 8.203 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.248 9.195 4.128 1.00 0.00 H new ATOM 464 N ARG A 31 -3.923 8.650 1.456 1.00 0.00 N ATOM 465 CA ARG A 31 -4.773 9.474 0.771 1.00 0.00 C ATOM 466 C ARG A 31 -5.345 8.765 -0.404 1.00 0.00 C ATOM 467 O ARG A 31 -4.672 8.013 -1.105 1.00 0.00 O ATOM 468 CB ARG A 31 -3.916 10.572 0.317 1.00 0.00 C ATOM 469 CG ARG A 31 -4.311 11.296 -0.905 1.00 0.00 C ATOM 470 CD ARG A 31 -5.519 12.202 -0.754 1.00 0.00 C ATOM 471 NE ARG A 31 -5.313 13.284 0.234 1.00 0.00 N ATOM 472 CZ ARG A 31 -6.214 14.251 0.522 1.00 0.00 C ATOM 473 NH1 ARG A 31 -7.379 14.307 -0.143 1.00 0.00 N ATOM 474 NH2 ARG A 31 -5.942 15.157 1.472 1.00 0.00 N ATOM 0 H ARG A 31 -3.518 7.901 0.895 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.611 9.810 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.845 11.298 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.915 10.171 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.466 11.896 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.518 10.568 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.759 12.643 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.379 11.604 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.425 13.302 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.586 13.619 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.057 15.037 0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.057 15.117 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.621 15.887 1.690 1.00 0.00 H new ATOM 488 N VAL A 32 -6.532 9.061 -0.626 1.00 0.00 N ATOM 489 CA VAL A 32 -7.229 8.615 -1.777 1.00 0.00 C ATOM 490 C VAL A 32 -7.165 9.716 -2.859 1.00 0.00 C ATOM 491 O VAL A 32 -7.920 10.688 -2.856 1.00 0.00 O ATOM 492 CB VAL A 32 -8.689 8.129 -1.462 1.00 0.00 C ATOM 493 CG1 VAL A 32 -9.517 9.190 -0.734 1.00 0.00 C ATOM 494 CG2 VAL A 32 -9.399 7.653 -2.729 1.00 0.00 C ATOM 0 H VAL A 32 -7.092 9.643 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.737 7.723 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.596 7.281 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.517 8.802 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.036 9.441 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.588 10.084 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.407 7.323 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.453 8.473 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.844 6.824 -3.167 1.00 0.00 H new ATOM 504 N LYS A 33 -6.127 9.632 -3.652 1.00 0.00 N ATOM 505 CA LYS A 33 -5.935 10.490 -4.791 1.00 0.00 C ATOM 506 C LYS A 33 -6.697 9.891 -5.924 1.00 0.00 C ATOM 507 O LYS A 33 -6.891 8.677 -5.970 1.00 0.00 O ATOM 508 CB LYS A 33 -4.474 10.506 -5.104 1.00 0.00 C ATOM 509 CG LYS A 33 -3.614 11.476 -4.276 1.00 0.00 C ATOM 510 CD LYS A 33 -2.186 10.942 -4.072 1.00 0.00 C ATOM 511 CE LYS A 33 -1.233 11.995 -3.438 1.00 0.00 C ATOM 512 NZ LYS A 33 0.179 11.497 -3.193 1.00 0.00 N ATOM 0 H LYS A 33 -5.378 8.952 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.279 11.508 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.083 9.498 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.352 10.754 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.572 12.443 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.083 11.640 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.221 10.059 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.781 10.624 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.189 12.867 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.657 12.327 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.827 12.308 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.209 10.962 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.470 10.879 -3.977 1.00 0.00 H new ATOM 526 N SER A 34 -7.087 10.689 -6.835 1.00 0.00 N ATOM 527 CA SER A 34 -7.946 10.210 -7.858 1.00 0.00 C ATOM 528 C SER A 34 -7.159 9.913 -9.146 1.00 0.00 C ATOM 529 O SER A 34 -5.914 9.985 -9.160 1.00 0.00 O ATOM 530 CB SER A 34 -9.132 11.174 -8.075 1.00 0.00 C ATOM 531 OG SER A 34 -10.117 10.622 -8.942 1.00 0.00 O ATOM 0 H SER A 34 -6.832 11.674 -6.901 1.00 0.00 H new ATOM 0 HA SER A 34 -8.377 9.260 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.587 11.411 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.765 12.111 -8.493 1.00 0.00 H new ATOM 0 HG SER A 34 -10.851 11.262 -9.052 1.00 0.00 H new ATOM 537 N GLY A 35 -7.879 9.538 -10.194 1.00 0.00 N ATOM 538 CA GLY A 35 -7.288 9.166 -11.464 1.00 0.00 C ATOM 539 C GLY A 35 -6.774 7.747 -11.423 1.00 0.00 C ATOM 540 O GLY A 35 -7.245 6.880 -12.140 1.00 0.00 O ATOM 0 H GLY A 35 -8.898 9.484 -10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.028 9.266 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.471 9.847 -11.703 1.00 0.00 H new ATOM 544 N GLY A 36 -5.834 7.538 -10.558 1.00 0.00 N ATOM 545 CA GLY A 36 -5.227 6.259 -10.354 1.00 0.00 C ATOM 546 C GLY A 36 -3.985 6.456 -9.554 1.00 0.00 C ATOM 547 O GLY A 36 -2.919 5.945 -9.885 1.00 0.00 O ATOM 0 H GLY A 36 -5.456 8.271 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.913 5.591 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.993 5.792 -11.311 1.00 0.00 H new ATOM 551 N ARG A 37 -4.117 7.240 -8.501 1.00 0.00 N ATOM 552 CA ARG A 37 -3.006 7.617 -7.697 1.00 0.00 C ATOM 553 C ARG A 37 -3.314 7.401 -6.256 1.00 0.00 C ATOM 554 O ARG A 37 -2.756 8.073 -5.396 1.00 0.00 O ATOM 555 CB ARG A 37 -2.734 9.047 -7.962 1.00 0.00 C ATOM 556 CG ARG A 37 -1.286 9.369 -8.358 1.00 0.00 C ATOM 557 CD ARG A 37 -0.309 8.979 -7.250 1.00 0.00 C ATOM 558 NE ARG A 37 1.079 9.412 -7.516 1.00 0.00 N ATOM 559 CZ ARG A 37 2.043 9.474 -6.570 1.00 0.00 C ATOM 560 NH1 ARG A 37 1.833 8.923 -5.390 1.00 0.00 N ATOM 561 NH2 ARG A 37 3.233 10.022 -6.832 1.00 0.00 N ATOM 0 H ARG A 37 -5.008 7.627 -8.191 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.132 7.012 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.397 9.386 -8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.987 9.621 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.031 8.838 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.193 10.434 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.644 9.415 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.327 7.896 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 37 1.324 9.680 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.948 8.454 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.556 8.966 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.426 10.403 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.948 10.060 -6.106 1.00 0.00 H new ATOM 575 N VAL A 38 -4.181 6.455 -6.012 1.00 0.00 N ATOM 576 CA VAL A 38 -4.593 6.077 -4.647 1.00 0.00 C ATOM 577 C VAL A 38 -3.339 5.732 -3.888 1.00 0.00 C ATOM 578 O VAL A 38 -2.572 4.874 -4.299 1.00 0.00 O ATOM 579 CB VAL A 38 -5.523 4.853 -4.613 1.00 0.00 C ATOM 580 CG1 VAL A 38 -6.120 4.650 -3.218 1.00 0.00 C ATOM 581 CG2 VAL A 38 -6.602 4.920 -5.683 1.00 0.00 C ATOM 0 H VAL A 38 -4.635 5.910 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.144 6.912 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.913 3.980 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.773 3.777 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.317 4.496 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.696 5.532 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.233 4.034 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.211 5.811 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.136 4.963 -6.667 1.00 0.00 H new ATOM 591 N VAL A 39 -3.143 6.389 -2.814 1.00 0.00 N ATOM 592 CA VAL A 39 -1.895 6.368 -2.160 1.00 0.00 C ATOM 593 C VAL A 39 -1.868 5.631 -0.863 1.00 0.00 C ATOM 594 O VAL A 39 -2.699 5.843 0.040 1.00 0.00 O ATOM 595 CB VAL A 39 -1.325 7.805 -2.034 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.529 8.023 -0.753 1.00 0.00 C ATOM 597 CG2 VAL A 39 -0.459 8.082 -3.231 1.00 0.00 C ATOM 0 H VAL A 39 -3.851 6.964 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.237 5.780 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.167 8.495 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.158 9.047 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.172 7.847 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.313 7.331 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.050 9.090 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.357 7.360 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.056 7.997 -4.139 1.00 0.00 H new ATOM 607 N VAL A 40 -0.885 4.805 -0.774 1.00 0.00 N ATOM 608 CA VAL A 40 -0.576 4.067 0.384 1.00 0.00 C ATOM 609 C VAL A 40 0.913 4.226 0.597 1.00 0.00 C ATOM 610 O VAL A 40 1.664 4.432 -0.371 1.00 0.00 O ATOM 611 CB VAL A 40 -0.911 2.542 0.231 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.400 2.310 0.051 1.00 0.00 C ATOM 613 CG2 VAL A 40 -0.139 1.918 -0.937 1.00 0.00 C ATOM 0 H VAL A 40 -0.248 4.622 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.168 4.435 1.222 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.599 2.056 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.592 1.242 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.936 2.693 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.743 2.828 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.392 0.861 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.407 2.427 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.932 2.022 -0.762 1.00 0.00 H new ATOM 623 N GLN A 41 1.328 4.195 1.808 1.00 0.00 N ATOM 624 CA GLN A 41 2.723 4.239 2.104 1.00 0.00 C ATOM 625 C GLN A 41 3.061 3.082 2.971 1.00 0.00 C ATOM 626 O GLN A 41 2.433 2.867 4.021 1.00 0.00 O ATOM 627 CB GLN A 41 3.129 5.547 2.757 1.00 0.00 C ATOM 628 CG GLN A 41 4.611 5.647 3.125 1.00 0.00 C ATOM 629 CD GLN A 41 4.968 6.963 3.768 1.00 0.00 C ATOM 630 OE1 GLN A 41 5.319 7.913 3.102 1.00 0.00 O ATOM 631 NE2 GLN A 41 4.900 7.019 5.071 1.00 0.00 N ATOM 0 H GLN A 41 0.719 4.139 2.624 1.00 0.00 H new ATOM 0 HA GLN A 41 3.282 4.179 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.880 6.366 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.535 5.686 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.867 4.835 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.213 5.512 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.601 6.201 5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.146 7.881 5.558 1.00 0.00 H new ATOM 640 N SER A 42 3.981 2.313 2.511 1.00 0.00 N ATOM 641 CA SER A 42 4.448 1.163 3.213 1.00 0.00 C ATOM 642 C SER A 42 5.376 1.556 4.349 1.00 0.00 C ATOM 643 O SER A 42 5.835 2.707 4.428 1.00 0.00 O ATOM 644 CB SER A 42 5.145 0.239 2.217 1.00 0.00 C ATOM 645 OG SER A 42 4.260 -0.111 1.188 1.00 0.00 O ATOM 0 H SER A 42 4.444 2.466 1.615 1.00 0.00 H new ATOM 0 HA SER A 42 3.605 0.639 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.022 0.735 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.497 -0.658 2.726 1.00 0.00 H new ATOM 0 HG SER A 42 4.760 -0.524 0.453 1.00 0.00 H new ATOM 651 N ASP A 43 5.668 0.585 5.189 1.00 0.00 N ATOM 652 CA ASP A 43 6.577 0.690 6.353 1.00 0.00 C ATOM 653 C ASP A 43 7.978 1.106 5.931 1.00 0.00 C ATOM 654 O ASP A 43 8.763 1.607 6.718 1.00 0.00 O ATOM 655 CB ASP A 43 6.636 -0.665 7.067 1.00 0.00 C ATOM 656 CG ASP A 43 6.885 -1.811 6.096 1.00 0.00 C ATOM 657 OD1 ASP A 43 7.965 -2.392 6.058 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.959 -2.140 5.333 1.00 0.00 O ATOM 0 H ASP A 43 5.269 -0.349 5.090 1.00 0.00 H new ATOM 0 HA ASP A 43 6.189 1.456 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.428 -0.646 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.699 -0.836 7.598 1.00 0.00 H new ATOM 663 N GLN A 44 8.233 0.950 4.663 1.00 0.00 N ATOM 664 CA GLN A 44 9.488 1.274 4.038 1.00 0.00 C ATOM 665 C GLN A 44 9.545 2.776 3.694 1.00 0.00 C ATOM 666 O GLN A 44 10.453 3.213 2.999 1.00 0.00 O ATOM 667 CB GLN A 44 9.597 0.443 2.755 1.00 0.00 C ATOM 668 CG GLN A 44 9.543 -1.068 2.995 1.00 0.00 C ATOM 669 CD GLN A 44 9.400 -1.888 1.716 1.00 0.00 C ATOM 670 OE1 GLN A 44 9.886 -3.000 1.627 1.00 0.00 O ATOM 671 NE2 GLN A 44 8.684 -1.368 0.741 1.00 0.00 N ATOM 0 H GLN A 44 7.545 0.578 4.008 1.00 0.00 H new ATOM 0 HA GLN A 44 10.313 1.051 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.788 0.724 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.532 0.689 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.450 -1.377 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.705 -1.292 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.288 -0.433 0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.525 -1.900 -0.115 1.00 0.00 H new ATOM 680 N GLY A 45 8.533 3.538 4.162 1.00 0.00 N ATOM 681 CA GLY A 45 8.444 4.977 3.897 1.00 0.00 C ATOM 682 C GLY A 45 8.341 5.241 2.422 1.00 0.00 C ATOM 683 O GLY A 45 8.960 6.143 1.879 1.00 0.00 O ATOM 0 H GLY A 45 7.767 3.172 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.575 5.392 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.322 5.481 4.301 1.00 0.00 H new ATOM 687 N ARG A 46 7.551 4.439 1.791 1.00 0.00 N ATOM 688 CA ARG A 46 7.457 4.414 0.381 1.00 0.00 C ATOM 689 C ARG A 46 6.012 4.636 -0.042 1.00 0.00 C ATOM 690 O ARG A 46 5.165 3.759 0.172 1.00 0.00 O ATOM 691 CB ARG A 46 7.969 3.034 0.000 1.00 0.00 C ATOM 692 CG ARG A 46 8.133 2.688 -1.448 1.00 0.00 C ATOM 693 CD ARG A 46 8.850 1.354 -1.489 1.00 0.00 C ATOM 694 NE ARG A 46 9.061 0.824 -2.829 1.00 0.00 N ATOM 695 CZ ARG A 46 10.231 0.509 -3.386 1.00 0.00 C ATOM 696 NH1 ARG A 46 11.387 0.886 -2.813 1.00 0.00 N ATOM 697 NH2 ARG A 46 10.247 -0.179 -4.521 1.00 0.00 N ATOM 0 H ARG A 46 6.940 3.769 2.258 1.00 0.00 H new ATOM 0 HA ARG A 46 8.032 5.197 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.938 2.900 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.292 2.301 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.165 2.624 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.708 3.454 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.817 1.460 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.276 0.629 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 46 8.228 0.679 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.375 1.419 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.276 0.639 -3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.370 -0.461 -4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.136 -0.425 -4.956 1.00 0.00 H new ATOM 711 N GLU A 47 5.723 5.839 -0.529 1.00 0.00 N ATOM 712 CA GLU A 47 4.402 6.178 -1.041 1.00 0.00 C ATOM 713 C GLU A 47 4.309 5.684 -2.475 1.00 0.00 C ATOM 714 O GLU A 47 5.222 5.927 -3.273 1.00 0.00 O ATOM 715 CB GLU A 47 4.162 7.717 -1.079 1.00 0.00 C ATOM 716 CG GLU A 47 2.780 8.055 -1.653 1.00 0.00 C ATOM 717 CD GLU A 47 2.565 9.481 -2.164 1.00 0.00 C ATOM 718 OE1 GLU A 47 1.783 10.247 -1.545 1.00 0.00 O ATOM 719 OE2 GLU A 47 3.040 9.804 -3.279 1.00 0.00 O ATOM 0 H GLU A 47 6.397 6.603 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 47 3.664 5.719 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.249 8.125 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.935 8.192 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.578 7.368 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.036 7.857 -0.881 1.00 0.00 H new ATOM 726 N PHE A 48 3.248 5.010 -2.804 1.00 0.00 N ATOM 727 CA PHE A 48 3.012 4.604 -4.163 1.00 0.00 C ATOM 728 C PHE A 48 1.534 4.481 -4.431 1.00 0.00 C ATOM 729 O PHE A 48 0.713 4.677 -3.520 1.00 0.00 O ATOM 730 CB PHE A 48 3.807 3.336 -4.575 1.00 0.00 C ATOM 731 CG PHE A 48 3.624 2.118 -3.708 1.00 0.00 C ATOM 732 CD1 PHE A 48 4.428 1.922 -2.603 1.00 0.00 C ATOM 733 CD2 PHE A 48 2.680 1.157 -4.021 1.00 0.00 C ATOM 734 CE1 PHE A 48 4.298 0.797 -1.826 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.540 0.030 -3.242 1.00 0.00 C ATOM 736 CZ PHE A 48 3.354 -0.151 -2.142 1.00 0.00 C ATOM 0 H PHE A 48 2.523 4.726 -2.145 1.00 0.00 H new ATOM 0 HA PHE A 48 3.402 5.393 -4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.527 3.074 -5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.867 3.588 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.170 2.664 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.046 1.292 -4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.937 0.657 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.795 -0.711 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.249 -1.035 -1.531 1.00 0.00 H new ATOM 746 N THR A 49 1.194 4.203 -5.664 1.00 0.00 N ATOM 747 CA THR A 49 -0.172 4.081 -6.051 1.00 0.00 C ATOM 748 C THR A 49 -0.594 2.626 -5.917 1.00 0.00 C ATOM 749 O THR A 49 0.207 1.705 -6.152 1.00 0.00 O ATOM 750 CB THR A 49 -0.422 4.627 -7.498 1.00 0.00 C ATOM 751 OG1 THR A 49 -1.816 4.599 -7.811 1.00 0.00 O ATOM 752 CG2 THR A 49 0.355 3.840 -8.551 1.00 0.00 C ATOM 0 H THR A 49 1.862 4.057 -6.421 1.00 0.00 H new ATOM 0 HA THR A 49 -0.784 4.694 -5.389 1.00 0.00 H new ATOM 0 HB THR A 49 -0.064 5.656 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.968 5.051 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.151 4.254 -9.539 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.423 3.909 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.047 2.795 -8.525 1.00 0.00 H new ATOM 760 N ALA A 50 -1.805 2.419 -5.516 1.00 0.00 N ATOM 761 CA ALA A 50 -2.297 1.092 -5.290 1.00 0.00 C ATOM 762 C ALA A 50 -3.472 0.778 -6.204 1.00 0.00 C ATOM 763 O ALA A 50 -4.266 1.653 -6.548 1.00 0.00 O ATOM 764 CB ALA A 50 -2.685 0.940 -3.834 1.00 0.00 C ATOM 0 H ALA A 50 -2.483 3.160 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.507 0.378 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.059 -0.069 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.813 1.116 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.463 1.663 -3.587 1.00 0.00 H new ATOM 770 N ARG A 51 -3.572 -0.469 -6.595 1.00 0.00 N ATOM 771 CA ARG A 51 -4.631 -0.938 -7.465 1.00 0.00 C ATOM 772 C ARG A 51 -5.327 -2.099 -6.787 1.00 0.00 C ATOM 773 O ARG A 51 -4.687 -2.839 -6.065 1.00 0.00 O ATOM 774 CB ARG A 51 -4.051 -1.405 -8.799 1.00 0.00 C ATOM 775 CG ARG A 51 -3.394 -0.311 -9.637 1.00 0.00 C ATOM 776 CD ARG A 51 -2.689 -0.906 -10.853 1.00 0.00 C ATOM 777 NE ARG A 51 -3.599 -1.713 -11.700 1.00 0.00 N ATOM 778 CZ ARG A 51 -3.509 -3.054 -11.876 1.00 0.00 C ATOM 779 NH1 ARG A 51 -2.589 -3.762 -11.200 1.00 0.00 N ATOM 780 NH2 ARG A 51 -4.352 -3.677 -12.704 1.00 0.00 N ATOM 0 H ARG A 51 -2.915 -1.198 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.335 -0.128 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.314 -2.184 -8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.849 -1.860 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.148 0.405 -9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.676 0.238 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.261 -0.101 -11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.860 -1.530 -10.519 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.349 -1.223 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.957 -3.291 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.523 -4.771 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.063 -3.144 -13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.284 -4.686 -12.836 1.00 0.00 H new ATOM 794 N GLY A 52 -6.615 -2.289 -7.065 1.00 0.00 N ATOM 795 CA GLY A 52 -7.420 -3.348 -6.407 1.00 0.00 C ATOM 796 C GLY A 52 -6.898 -4.760 -6.593 1.00 0.00 C ATOM 797 O GLY A 52 -7.215 -5.649 -5.816 1.00 0.00 O ATOM 0 H GLY A 52 -7.135 -1.729 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.471 -3.134 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.439 -3.300 -6.791 1.00 0.00 H new ATOM 801 N ASN A 53 -6.072 -4.960 -7.591 1.00 0.00 N ATOM 802 CA ASN A 53 -5.510 -6.284 -7.859 1.00 0.00 C ATOM 803 C ASN A 53 -4.284 -6.513 -7.002 1.00 0.00 C ATOM 804 O ASN A 53 -3.789 -7.617 -6.884 1.00 0.00 O ATOM 805 CB ASN A 53 -5.118 -6.433 -9.337 1.00 0.00 C ATOM 806 CG ASN A 53 -6.270 -6.263 -10.310 1.00 0.00 C ATOM 807 OD1 ASN A 53 -6.073 -5.794 -11.432 1.00 0.00 O ATOM 808 ND2 ASN A 53 -7.465 -6.619 -9.899 1.00 0.00 N ATOM 0 H ASN A 53 -5.767 -4.231 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.276 -7.022 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.348 -5.698 -9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.675 -7.418 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.270 -6.511 -10.516 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.589 -7.004 -8.962 1.00 0.00 H new ATOM 815 N GLN A 54 -3.819 -5.452 -6.412 1.00 0.00 N ATOM 816 CA GLN A 54 -2.615 -5.451 -5.632 1.00 0.00 C ATOM 817 C GLN A 54 -2.908 -5.164 -4.184 1.00 0.00 C ATOM 818 O GLN A 54 -1.999 -5.128 -3.373 1.00 0.00 O ATOM 819 CB GLN A 54 -1.689 -4.371 -6.172 1.00 0.00 C ATOM 820 CG GLN A 54 -0.993 -4.722 -7.465 1.00 0.00 C ATOM 821 CD GLN A 54 -0.415 -3.504 -8.144 1.00 0.00 C ATOM 822 OE1 GLN A 54 -1.063 -2.907 -9.015 1.00 0.00 O ATOM 823 NE2 GLN A 54 0.726 -3.066 -7.699 1.00 0.00 N ATOM 0 H GLN A 54 -4.276 -4.542 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.150 -6.434 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.267 -3.459 -6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.934 -4.149 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.196 -5.438 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.699 -5.210 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.228 -3.588 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.119 -2.200 -8.068 1.00 0.00 H new ATOM 832 N VAL A 55 -4.172 -4.966 -3.846 1.00 0.00 N ATOM 833 CA VAL A 55 -4.501 -4.571 -2.481 1.00 0.00 C ATOM 834 C VAL A 55 -5.505 -5.458 -1.905 1.00 0.00 C ATOM 835 O VAL A 55 -6.604 -5.653 -2.455 1.00 0.00 O ATOM 836 CB VAL A 55 -5.027 -3.125 -2.345 1.00 0.00 C ATOM 837 CG1 VAL A 55 -5.219 -2.735 -0.889 1.00 0.00 C ATOM 838 CG2 VAL A 55 -4.168 -2.127 -3.065 1.00 0.00 C ATOM 0 H VAL A 55 -4.968 -5.068 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.553 -4.638 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.003 -3.107 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.590 -1.712 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.939 -3.408 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.266 -2.805 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.585 -1.128 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.158 -2.155 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.137 -2.372 -4.127 1.00 0.00 H new ATOM 848 N ARG A 56 -5.146 -5.998 -0.802 1.00 0.00 N ATOM 849 CA ARG A 56 -5.968 -6.818 -0.079 1.00 0.00 C ATOM 850 C ARG A 56 -5.907 -6.354 1.340 1.00 0.00 C ATOM 851 O ARG A 56 -4.839 -5.966 1.814 1.00 0.00 O ATOM 852 CB ARG A 56 -5.454 -8.222 -0.166 1.00 0.00 C ATOM 853 CG ARG A 56 -5.195 -8.688 -1.584 1.00 0.00 C ATOM 854 CD ARG A 56 -6.413 -8.657 -2.504 1.00 0.00 C ATOM 855 NE ARG A 56 -7.626 -9.258 -1.931 1.00 0.00 N ATOM 856 CZ ARG A 56 -8.856 -8.704 -2.050 1.00 0.00 C ATOM 857 NH1 ARG A 56 -8.990 -7.462 -2.556 1.00 0.00 N ATOM 858 NH2 ARG A 56 -9.938 -9.365 -1.620 1.00 0.00 N ATOM 0 H ARG A 56 -4.227 -5.859 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.990 -6.790 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.530 -8.297 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.174 -8.893 0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.414 -8.065 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.809 -9.707 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.626 -7.621 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.167 -9.178 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.537 -10.135 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.165 -6.939 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.917 -7.045 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.838 -10.289 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.863 -8.944 -1.712 1.00 0.00 H new ATOM 872 N LEU A 57 -7.029 -6.300 1.973 1.00 0.00 N ATOM 873 CA LEU A 57 -7.089 -6.023 3.416 1.00 0.00 C ATOM 874 C LEU A 57 -6.260 -7.042 4.232 1.00 0.00 C ATOM 875 O LEU A 57 -5.812 -8.068 3.685 1.00 0.00 O ATOM 876 CB LEU A 57 -8.554 -5.924 3.903 1.00 0.00 C ATOM 877 CG LEU A 57 -9.520 -7.036 3.449 1.00 0.00 C ATOM 878 CD1 LEU A 57 -9.231 -8.384 4.108 1.00 0.00 C ATOM 879 CD2 LEU A 57 -10.965 -6.621 3.659 1.00 0.00 C ATOM 0 H LEU A 57 -7.938 -6.442 1.533 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.629 -5.050 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.548 -5.905 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.958 -4.968 3.570 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.352 -7.175 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.944 -9.125 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.219 -8.702 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.323 -8.287 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.625 -7.424 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.136 -6.420 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.173 -5.721 3.081 1.00 0.00 H new ATOM 891 N ILE A 58 -6.039 -6.763 5.502 1.00 0.00 N ATOM 892 CA ILE A 58 -5.260 -7.653 6.329 1.00 0.00 C ATOM 893 C ILE A 58 -6.044 -8.908 6.633 1.00 0.00 C ATOM 894 O ILE A 58 -7.087 -8.874 7.278 1.00 0.00 O ATOM 895 CB ILE A 58 -4.777 -7.014 7.647 1.00 0.00 C ATOM 896 CG1 ILE A 58 -4.004 -5.717 7.377 1.00 0.00 C ATOM 897 CG2 ILE A 58 -3.904 -8.007 8.436 1.00 0.00 C ATOM 898 CD1 ILE A 58 -3.508 -5.013 8.629 1.00 0.00 C ATOM 0 H ILE A 58 -6.387 -5.931 5.978 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.367 -7.893 5.751 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.653 -6.767 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.150 -5.943 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.646 -5.034 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.571 -7.541 9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.486 -8.899 8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.036 -8.284 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.972 -4.106 8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.357 -4.752 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.838 -5.675 9.177 1.00 0.00 H new ATOM 910 N GLU A 59 -5.498 -9.938 6.121 1.00 0.00 N ATOM 911 CA GLU A 59 -5.920 -11.321 6.169 1.00 0.00 C ATOM 912 C GLU A 59 -4.968 -11.976 5.172 1.00 0.00 C ATOM 913 O GLU A 59 -5.353 -12.274 4.006 1.00 0.00 O ATOM 914 CB GLU A 59 -7.398 -11.502 5.716 1.00 0.00 C ATOM 915 CG GLU A 59 -7.955 -12.932 5.858 1.00 0.00 C ATOM 916 CD GLU A 59 -8.059 -13.420 7.305 1.00 0.00 C ATOM 917 OE1 GLU A 59 -9.147 -13.251 7.919 1.00 0.00 O ATOM 918 OE2 GLU A 59 -7.074 -14.005 7.819 1.00 0.00 O ATOM 919 OXT GLU A 59 -3.723 -11.922 5.440 1.00 0.00 O ATOM 0 H GLU A 59 -4.635 -9.843 5.586 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.885 -11.743 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.025 -10.825 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.482 -11.198 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.943 -12.973 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.316 -13.617 5.300 1.00 0.00 H new TER 926 GLU A 59