USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 ASN : amide:sc= -0.0924 X(o=-0.092,f=-0.5) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 4 SER OG : rot 29:sc= 0.154 USER MOD Single : A 8 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.51) USER MOD Single : A 9 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.11) USER MOD Single : A 14 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.5!) USER MOD Single : A 15 THR OG1 : rot -110:sc= -0.904 USER MOD Single : A 18 THR OG1 : rot -101:sc= 1.38 USER MOD Single : A 21 MET CE :methyl 175:sc= -3.79! (180deg=-3.84!) USER MOD Single : A 22 MET CE :methyl -146:sc= -1.5 (180deg=-3.31!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -115:sc= -1.36 (180deg=-2.64) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.12 K(o=-3.1,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 136:sc= 0.742 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -167:sc= 0 (180deg=-0.243) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 2:sc= 0.81 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.484 -8.541 -7.411 1.00 0.00 N ATOM 2 CA ASN A 1 -15.909 -8.666 -6.043 1.00 0.00 C ATOM 3 C ASN A 1 -14.497 -9.234 -6.135 1.00 0.00 C ATOM 4 O ASN A 1 -14.304 -10.416 -6.422 1.00 0.00 O ATOM 5 CB ASN A 1 -16.783 -9.603 -5.205 1.00 0.00 C ATOM 6 CG ASN A 1 -17.891 -8.800 -4.534 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.631 -7.775 -3.904 1.00 0.00 O ATOM 8 ND2 ASN A 1 -19.127 -9.209 -4.632 1.00 0.00 N ATOM 0 H1 ASN A 1 -17.447 -8.154 -7.349 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.891 -7.904 -7.980 1.00 0.00 H new ATOM 0 H3 ASN A 1 -16.516 -9.478 -7.861 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.875 -7.684 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -17.214 -10.379 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -16.177 -10.106 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -19.876 -8.679 -4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -19.343 -10.058 -5.154 1.00 0.00 H new ATOM 15 N GLN A 2 -13.510 -8.377 -5.886 1.00 0.00 N ATOM 16 CA GLN A 2 -12.113 -8.801 -5.942 1.00 0.00 C ATOM 17 C GLN A 2 -11.302 -8.105 -4.854 1.00 0.00 C ATOM 18 O GLN A 2 -11.606 -6.980 -4.456 1.00 0.00 O ATOM 19 CB GLN A 2 -11.507 -8.469 -7.307 1.00 0.00 C ATOM 20 CG GLN A 2 -10.173 -9.199 -7.465 1.00 0.00 C ATOM 21 CD GLN A 2 -9.625 -8.961 -8.868 1.00 0.00 C ATOM 22 OE1 GLN A 2 -10.301 -9.233 -9.860 1.00 0.00 O ATOM 23 NE2 GLN A 2 -8.427 -8.464 -9.012 1.00 0.00 N ATOM 0 H GLN A 2 -13.648 -7.395 -5.646 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.081 -9.879 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.192 -8.765 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.358 -7.393 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.461 -8.843 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.308 -10.267 -7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.866 -8.238 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.051 -8.301 -9.946 1.00 0.00 H new ATOM 32 N ALA A 3 -10.264 -8.788 -4.380 1.00 0.00 N ATOM 33 CA ALA A 3 -9.410 -8.227 -3.336 1.00 0.00 C ATOM 34 C ALA A 3 -8.436 -7.216 -3.931 1.00 0.00 C ATOM 35 O ALA A 3 -8.182 -7.211 -5.135 1.00 0.00 O ATOM 36 CB ALA A 3 -8.615 -9.336 -2.642 1.00 0.00 C ATOM 0 H ALA A 3 -9.995 -9.720 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.051 -7.729 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.984 -8.901 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.304 -10.050 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.990 -9.848 -3.374 1.00 0.00 H new ATOM 42 N SER A 4 -7.895 -6.356 -3.071 1.00 0.00 N ATOM 43 CA SER A 4 -6.949 -5.339 -3.520 1.00 0.00 C ATOM 44 C SER A 4 -5.956 -5.009 -2.410 1.00 0.00 C ATOM 45 O SER A 4 -5.982 -5.609 -1.335 1.00 0.00 O ATOM 46 CB SER A 4 -7.687 -4.063 -3.925 1.00 0.00 C ATOM 47 OG SER A 4 -8.023 -4.133 -5.305 1.00 0.00 O ATOM 0 H SER A 4 -8.093 -6.343 -2.070 1.00 0.00 H new ATOM 0 HA SER A 4 -6.412 -5.735 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.589 -3.945 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.061 -3.191 -3.735 1.00 0.00 H new ATOM 0 HG SER A 4 -8.145 -5.070 -5.565 1.00 0.00 H new ATOM 53 N VAL A 5 -5.079 -4.046 -2.683 1.00 0.00 N ATOM 54 CA VAL A 5 -4.079 -3.640 -1.700 1.00 0.00 C ATOM 55 C VAL A 5 -4.532 -2.380 -0.969 1.00 0.00 C ATOM 56 O VAL A 5 -5.204 -1.521 -1.541 1.00 0.00 O ATOM 57 CB VAL A 5 -2.735 -3.365 -2.381 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.658 -3.138 -1.317 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.344 -4.566 -3.246 1.00 0.00 C ATOM 0 H VAL A 5 -5.040 -3.537 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.962 -4.454 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.824 -2.477 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.702 -2.942 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.932 -2.283 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.572 -4.026 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.387 -4.370 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.258 -5.453 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.108 -4.731 -4.006 1.00 0.00 H new ATOM 69 N VAL A 6 -4.156 -2.280 0.302 1.00 0.00 N ATOM 70 CA VAL A 6 -4.526 -1.124 1.110 1.00 0.00 C ATOM 71 C VAL A 6 -3.382 -0.752 2.049 1.00 0.00 C ATOM 72 O VAL A 6 -2.543 -1.585 2.389 1.00 0.00 O ATOM 73 CB VAL A 6 -5.777 -1.426 1.937 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.243 -0.155 2.650 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.891 -1.922 1.014 1.00 0.00 C ATOM 0 H VAL A 6 -3.599 -2.980 0.792 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.733 -0.291 0.438 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.543 -2.193 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.134 -0.374 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.452 0.203 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.475 0.612 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.783 -2.137 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.121 -1.154 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.565 -2.829 0.505 1.00 0.00 H new ATOM 85 N ALA A 7 -3.361 0.511 2.466 1.00 0.00 N ATOM 86 CA ALA A 7 -2.316 0.987 3.369 1.00 0.00 C ATOM 87 C ALA A 7 -2.692 0.692 4.817 1.00 0.00 C ATOM 88 O ALA A 7 -3.713 1.164 5.318 1.00 0.00 O ATOM 89 CB ALA A 7 -2.111 2.493 3.204 1.00 0.00 C ATOM 0 H ALA A 7 -4.047 1.217 2.197 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.391 0.467 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.329 2.830 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.817 2.710 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.041 3.014 3.433 1.00 0.00 H new ATOM 95 N ASN A 8 -1.853 -0.093 5.486 1.00 0.00 N ATOM 96 CA ASN A 8 -2.105 -0.446 6.881 1.00 0.00 C ATOM 97 C ASN A 8 -1.265 0.423 7.812 1.00 0.00 C ATOM 98 O ASN A 8 -0.867 -0.008 8.895 1.00 0.00 O ATOM 99 CB ASN A 8 -1.766 -1.917 7.132 1.00 0.00 C ATOM 100 CG ASN A 8 -2.637 -2.455 8.261 1.00 0.00 C ATOM 101 OD1 ASN A 8 -2.921 -1.746 9.226 1.00 0.00 O ATOM 102 ND2 ASN A 8 -3.082 -3.680 8.197 1.00 0.00 N ATOM 0 H ASN A 8 -1.002 -0.493 5.091 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.163 -0.278 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.929 -2.498 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.712 -2.019 7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.666 -4.050 8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.846 -4.267 7.397 1.00 0.00 H new ATOM 109 N GLN A 9 -1.001 1.654 7.378 1.00 0.00 N ATOM 110 CA GLN A 9 -0.206 2.583 8.178 1.00 0.00 C ATOM 111 C GLN A 9 -0.073 3.918 7.450 1.00 0.00 C ATOM 112 O GLN A 9 -0.337 4.016 6.252 1.00 0.00 O ATOM 113 CB GLN A 9 1.196 2.007 8.439 1.00 0.00 C ATOM 114 CG GLN A 9 1.283 1.485 9.877 1.00 0.00 C ATOM 115 CD GLN A 9 2.676 1.755 10.436 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.325 0.853 10.967 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.179 2.956 10.349 1.00 0.00 N ATOM 0 H GLN A 9 -1.322 2.029 6.485 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.713 2.734 9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.404 1.200 7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.951 2.776 8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.531 1.972 10.497 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.072 0.416 9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.642 3.703 9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.109 3.147 10.721 1.00 0.00 H new ATOM 126 N LEU A 10 0.341 4.943 8.187 1.00 0.00 N ATOM 127 CA LEU A 10 0.510 6.269 7.601 1.00 0.00 C ATOM 128 C LEU A 10 1.728 6.289 6.684 1.00 0.00 C ATOM 129 O LEU A 10 2.866 6.375 7.144 1.00 0.00 O ATOM 130 CB LEU A 10 0.690 7.323 8.695 1.00 0.00 C ATOM 131 CG LEU A 10 0.566 8.719 8.083 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.865 8.937 7.591 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.905 9.771 9.142 1.00 0.00 C ATOM 0 H LEU A 10 0.564 4.884 9.181 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.386 6.500 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.061 7.187 9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.664 7.207 9.169 1.00 0.00 H new ATOM 0 HG LEU A 10 1.256 8.809 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.952 9.932 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.109 8.188 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.556 8.846 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.817 10.767 8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.215 9.679 9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.925 9.618 9.494 1.00 0.00 H new ATOM 145 N ILE A 11 1.474 6.204 5.381 1.00 0.00 N ATOM 146 CA ILE A 11 2.557 6.210 4.400 1.00 0.00 C ATOM 147 C ILE A 11 2.764 7.628 3.844 1.00 0.00 C ATOM 148 O ILE A 11 1.926 8.120 3.089 1.00 0.00 O ATOM 149 CB ILE A 11 2.227 5.267 3.238 1.00 0.00 C ATOM 150 CG1 ILE A 11 1.866 3.883 3.785 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.444 5.145 2.318 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.114 3.091 2.714 1.00 0.00 C ATOM 0 H ILE A 11 0.538 6.131 4.982 1.00 0.00 H new ATOM 0 HA ILE A 11 3.467 5.874 4.897 1.00 0.00 H new ATOM 0 HB ILE A 11 1.383 5.668 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.770 3.350 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.250 3.983 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.209 4.474 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.703 6.128 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.287 4.746 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.857 2.106 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.202 3.623 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.746 2.979 1.833 1.00 0.00 H new ATOM 164 N PRO A 12 3.870 8.310 4.199 1.00 0.00 N ATOM 165 CA PRO A 12 4.129 9.673 3.701 1.00 0.00 C ATOM 166 C PRO A 12 4.738 9.680 2.300 1.00 0.00 C ATOM 167 O PRO A 12 4.939 8.630 1.690 1.00 0.00 O ATOM 168 CB PRO A 12 5.121 10.212 4.724 1.00 0.00 C ATOM 169 CG PRO A 12 5.810 9.009 5.357 1.00 0.00 C ATOM 170 CD PRO A 12 4.922 7.786 5.103 1.00 0.00 C ATOM 0 HA PRO A 12 3.218 10.263 3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.850 10.866 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.609 10.805 5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.799 8.862 4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.950 9.166 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.481 6.972 4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.499 7.397 6.029 1.00 0.00 H new ATOM 178 N ILE A 13 5.025 10.878 1.799 1.00 0.00 N ATOM 179 CA ILE A 13 5.609 11.017 0.469 1.00 0.00 C ATOM 180 C ILE A 13 7.123 10.794 0.525 1.00 0.00 C ATOM 181 O ILE A 13 7.758 10.995 1.560 1.00 0.00 O ATOM 182 CB ILE A 13 5.301 12.409 -0.106 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.829 12.495 -1.543 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.960 13.494 0.759 1.00 0.00 C ATOM 185 CD1 ILE A 13 5.457 13.848 -2.155 1.00 0.00 C ATOM 0 H ILE A 13 4.865 11.759 2.288 1.00 0.00 H new ATOM 0 HA ILE A 13 5.168 10.262 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 13 4.223 12.567 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.912 12.368 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.410 11.687 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.736 14.476 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.573 13.433 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.039 13.343 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.835 13.902 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.373 13.958 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.898 14.649 -1.562 1.00 0.00 H new ATOM 197 N ASN A 14 7.689 10.377 -0.606 1.00 0.00 N ATOM 198 CA ASN A 14 9.128 10.127 -0.684 1.00 0.00 C ATOM 199 C ASN A 14 9.536 9.037 0.303 1.00 0.00 C ATOM 200 O ASN A 14 10.631 9.065 0.865 1.00 0.00 O ATOM 201 CB ASN A 14 9.912 11.405 -0.372 1.00 0.00 C ATOM 202 CG ASN A 14 10.124 12.197 -1.657 1.00 0.00 C ATOM 203 OD1 ASN A 14 10.155 11.627 -2.749 1.00 0.00 O ATOM 204 ND2 ASN A 14 10.274 13.491 -1.594 1.00 0.00 N ATOM 0 H ASN A 14 7.180 10.206 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 14 9.358 9.800 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.369 12.009 0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.873 11.154 0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.417 14.030 -2.448 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.249 13.964 -0.691 1.00 0.00 H new ATOM 211 N THR A 15 8.641 8.073 0.506 1.00 0.00 N ATOM 212 CA THR A 15 8.915 6.974 1.428 1.00 0.00 C ATOM 213 C THR A 15 8.618 5.634 0.762 1.00 0.00 C ATOM 214 O THR A 15 7.560 5.443 0.164 1.00 0.00 O ATOM 215 CB THR A 15 8.060 7.106 2.689 1.00 0.00 C ATOM 216 OG1 THR A 15 8.196 8.418 3.217 1.00 0.00 O ATOM 217 CG2 THR A 15 8.521 6.084 3.730 1.00 0.00 C ATOM 0 H THR A 15 7.730 8.030 0.050 1.00 0.00 H new ATOM 0 HA THR A 15 9.969 7.018 1.700 1.00 0.00 H new ATOM 0 HB THR A 15 7.015 6.921 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.699 8.382 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.911 6.179 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.415 5.078 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.566 6.266 3.980 1.00 0.00 H new ATOM 225 N ALA A 16 9.567 4.708 0.874 1.00 0.00 N ATOM 226 CA ALA A 16 9.400 3.385 0.280 1.00 0.00 C ATOM 227 C ALA A 16 8.306 2.609 1.003 1.00 0.00 C ATOM 228 O ALA A 16 7.987 2.888 2.160 1.00 0.00 O ATOM 229 CB ALA A 16 10.707 2.594 0.358 1.00 0.00 C ATOM 0 H ALA A 16 10.450 4.847 1.365 1.00 0.00 H new ATOM 0 HA ALA A 16 9.119 3.520 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.564 1.610 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.488 3.128 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.001 2.479 1.401 1.00 0.00 H new ATOM 235 N LEU A 17 7.734 1.629 0.309 1.00 0.00 N ATOM 236 CA LEU A 17 6.672 0.814 0.892 1.00 0.00 C ATOM 237 C LEU A 17 7.260 -0.406 1.595 1.00 0.00 C ATOM 238 O LEU A 17 8.426 -0.750 1.404 1.00 0.00 O ATOM 239 CB LEU A 17 5.702 0.342 -0.193 1.00 0.00 C ATOM 240 CG LEU A 17 4.963 1.547 -0.777 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.199 1.120 -2.032 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.975 2.089 0.260 1.00 0.00 C ATOM 0 H LEU A 17 7.985 1.381 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 17 6.137 1.429 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.246 -0.180 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.988 -0.367 0.226 1.00 0.00 H new ATOM 0 HG LEU A 17 5.683 2.323 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.673 1.979 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.900 0.732 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.479 0.344 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.447 2.948 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.256 1.312 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.518 2.394 1.155 1.00 0.00 H new ATOM 254 N THR A 18 6.434 -1.056 2.410 1.00 0.00 N ATOM 255 CA THR A 18 6.875 -2.242 3.141 1.00 0.00 C ATOM 256 C THR A 18 5.701 -3.186 3.377 1.00 0.00 C ATOM 257 O THR A 18 4.548 -2.841 3.119 1.00 0.00 O ATOM 258 CB THR A 18 7.477 -1.847 4.491 1.00 0.00 C ATOM 259 OG1 THR A 18 6.460 -1.298 5.318 1.00 0.00 O ATOM 260 CG2 THR A 18 8.580 -0.810 4.278 1.00 0.00 C ATOM 0 H THR A 18 5.465 -0.786 2.581 1.00 0.00 H new ATOM 0 HA THR A 18 7.633 -2.746 2.541 1.00 0.00 H new ATOM 0 HB THR A 18 7.901 -2.729 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.525 -0.320 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.007 -0.530 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.360 -1.233 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.161 0.074 3.797 1.00 0.00 H new ATOM 268 N LEU A 19 6.008 -4.382 3.870 1.00 0.00 N ATOM 269 CA LEU A 19 4.970 -5.373 4.139 1.00 0.00 C ATOM 270 C LEU A 19 4.003 -4.853 5.198 1.00 0.00 C ATOM 271 O LEU A 19 2.806 -5.140 5.163 1.00 0.00 O ATOM 272 CB LEU A 19 5.592 -6.681 4.635 1.00 0.00 C ATOM 273 CG LEU A 19 6.614 -7.182 3.612 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.769 -7.871 4.340 1.00 0.00 C ATOM 275 CD2 LEU A 19 5.942 -8.179 2.664 1.00 0.00 C ATOM 0 H LEU A 19 6.956 -4.687 4.090 1.00 0.00 H new ATOM 0 HA LEU A 19 4.431 -5.557 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.075 -6.523 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.815 -7.431 4.786 1.00 0.00 H new ATOM 0 HG LEU A 19 6.997 -6.338 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.497 -8.228 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.249 -7.162 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.386 -8.715 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.670 -8.536 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.558 -9.023 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.119 -7.689 2.144 1.00 0.00 H new ATOM 287 N VAL A 20 4.539 -4.082 6.139 1.00 0.00 N ATOM 288 CA VAL A 20 3.718 -3.519 7.210 1.00 0.00 C ATOM 289 C VAL A 20 2.793 -2.436 6.660 1.00 0.00 C ATOM 290 O VAL A 20 1.694 -2.220 7.172 1.00 0.00 O ATOM 291 CB VAL A 20 4.603 -2.912 8.301 1.00 0.00 C ATOM 292 CG1 VAL A 20 3.739 -2.509 9.497 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.640 -3.946 8.753 1.00 0.00 C ATOM 0 H VAL A 20 5.527 -3.834 6.184 1.00 0.00 H new ATOM 0 HA VAL A 20 3.121 -4.326 7.635 1.00 0.00 H new ATOM 0 HB VAL A 20 5.111 -2.033 7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.371 -2.077 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.999 -1.774 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.230 -3.389 9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.270 -3.514 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.130 -4.825 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.259 -4.236 7.904 1.00 0.00 H new ATOM 303 N MET A 21 3.250 -1.755 5.610 1.00 0.00 N ATOM 304 CA MET A 21 2.455 -0.693 4.998 1.00 0.00 C ATOM 305 C MET A 21 1.639 -1.220 3.815 1.00 0.00 C ATOM 306 O MET A 21 1.223 -0.453 2.947 1.00 0.00 O ATOM 307 CB MET A 21 3.369 0.431 4.510 1.00 0.00 C ATOM 308 CG MET A 21 4.067 1.070 5.713 1.00 0.00 C ATOM 309 SD MET A 21 5.730 1.611 5.239 1.00 0.00 S ATOM 310 CE MET A 21 5.234 3.067 4.286 1.00 0.00 C ATOM 0 H MET A 21 4.156 -1.917 5.170 1.00 0.00 H new ATOM 0 HA MET A 21 1.769 -0.315 5.756 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.108 0.038 3.812 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.789 1.180 3.971 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.487 1.920 6.073 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.127 0.354 6.533 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.122 3.613 3.967 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.667 2.753 3.410 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.614 3.714 4.906 1.00 0.00 H new ATOM 320 N MET A 22 1.412 -2.535 3.785 1.00 0.00 N ATOM 321 CA MET A 22 0.640 -3.137 2.700 1.00 0.00 C ATOM 322 C MET A 22 -0.089 -4.383 3.193 1.00 0.00 C ATOM 323 O MET A 22 0.455 -5.171 3.967 1.00 0.00 O ATOM 324 CB MET A 22 1.558 -3.524 1.538 1.00 0.00 C ATOM 325 CG MET A 22 1.974 -2.265 0.775 1.00 0.00 C ATOM 326 SD MET A 22 2.255 -2.676 -0.966 1.00 0.00 S ATOM 327 CE MET A 22 3.501 -3.961 -0.700 1.00 0.00 C ATOM 0 H MET A 22 1.747 -3.193 4.489 1.00 0.00 H new ATOM 0 HA MET A 22 -0.087 -2.401 2.357 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.440 -4.042 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.044 -4.214 0.869 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.199 -1.504 0.859 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.881 -1.846 1.211 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.225 -3.940 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.013 -3.781 0.245 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.016 -4.937 -0.670 1.00 0.00 H new ATOM 337 N ARG A 23 -1.326 -4.554 2.736 1.00 0.00 N ATOM 338 CA ARG A 23 -2.122 -5.711 3.136 1.00 0.00 C ATOM 339 C ARG A 23 -3.257 -5.947 2.145 1.00 0.00 C ATOM 340 O ARG A 23 -3.451 -5.177 1.204 1.00 0.00 O ATOM 341 CB ARG A 23 -2.711 -5.500 4.535 1.00 0.00 C ATOM 342 CG ARG A 23 -3.539 -4.209 4.561 1.00 0.00 C ATOM 343 CD ARG A 23 -5.027 -4.550 4.440 1.00 0.00 C ATOM 344 NE ARG A 23 -5.647 -4.624 5.760 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.570 -5.541 6.034 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.285 -6.810 5.914 1.00 0.00 N ATOM 347 NH2 ARG A 23 -7.760 -5.174 6.425 1.00 0.00 N ATOM 0 H ARG A 23 -1.795 -3.914 2.095 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.467 -6.582 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.337 -6.350 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.910 -5.444 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.354 -3.665 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.238 -3.555 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.531 -3.794 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.146 -5.502 3.922 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.368 -3.962 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.355 -7.097 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.993 -7.514 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.982 -4.183 6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.468 -5.878 6.635 1.00 0.00 H new ATOM 361 N SER A 24 -4.006 -7.023 2.367 1.00 0.00 N ATOM 362 CA SER A 24 -5.124 -7.357 1.488 1.00 0.00 C ATOM 363 C SER A 24 -6.448 -6.980 2.146 1.00 0.00 C ATOM 364 O SER A 24 -6.618 -7.118 3.357 1.00 0.00 O ATOM 365 CB SER A 24 -5.132 -8.854 1.177 1.00 0.00 C ATOM 366 OG SER A 24 -3.793 -9.310 1.032 1.00 0.00 O ATOM 0 H SER A 24 -3.862 -7.673 3.140 1.00 0.00 H new ATOM 0 HA SER A 24 -5.004 -6.795 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.630 -9.401 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.694 -9.044 0.263 1.00 0.00 H new ATOM 0 HG SER A 24 -3.794 -10.270 0.834 1.00 0.00 H new ATOM 372 N GLU A 25 -7.384 -6.499 1.332 1.00 0.00 N ATOM 373 CA GLU A 25 -8.694 -6.102 1.845 1.00 0.00 C ATOM 374 C GLU A 25 -9.649 -5.802 0.694 1.00 0.00 C ATOM 375 O GLU A 25 -9.263 -5.210 -0.315 1.00 0.00 O ATOM 376 CB GLU A 25 -8.570 -4.858 2.727 1.00 0.00 C ATOM 377 CG GLU A 25 -9.683 -4.860 3.775 1.00 0.00 C ATOM 378 CD GLU A 25 -10.097 -3.425 4.084 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.215 -2.599 4.252 1.00 0.00 O ATOM 380 OE2 GLU A 25 -11.289 -3.174 4.148 1.00 0.00 O ATOM 0 H GLU A 25 -7.264 -6.375 0.327 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.087 -6.928 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.596 -4.842 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.634 -3.958 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.540 -5.426 3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.340 -5.354 4.684 1.00 0.00 H new ATOM 387 N VAL A 26 -10.902 -6.216 0.858 1.00 0.00 N ATOM 388 CA VAL A 26 -11.911 -5.988 -0.173 1.00 0.00 C ATOM 389 C VAL A 26 -12.322 -4.518 -0.194 1.00 0.00 C ATOM 390 O VAL A 26 -13.179 -4.087 0.577 1.00 0.00 O ATOM 391 CB VAL A 26 -13.151 -6.850 0.085 1.00 0.00 C ATOM 392 CG1 VAL A 26 -14.106 -6.743 -1.105 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.729 -8.310 0.267 1.00 0.00 C ATOM 0 H VAL A 26 -11.241 -6.706 1.686 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.478 -6.261 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.653 -6.500 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.988 -7.357 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.408 -5.704 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.604 -7.092 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.611 -8.924 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.226 -8.658 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.049 -8.389 1.115 1.00 0.00 H new ATOM 403 N VAL A 27 -11.698 -3.755 -1.087 1.00 0.00 N ATOM 404 CA VAL A 27 -12.004 -2.331 -1.203 1.00 0.00 C ATOM 405 C VAL A 27 -12.343 -1.974 -2.647 1.00 0.00 C ATOM 406 O VAL A 27 -12.203 -2.793 -3.555 1.00 0.00 O ATOM 407 CB VAL A 27 -10.811 -1.488 -0.749 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.574 -1.703 0.747 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.563 -1.912 -1.527 1.00 0.00 C ATOM 0 H VAL A 27 -10.986 -4.093 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.862 -2.119 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.018 -0.434 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.724 -1.102 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.463 -1.404 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.366 -2.756 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.712 -1.312 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.357 -2.965 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.730 -1.761 -2.593 1.00 0.00 H new ATOM 419 N THR A 28 -12.792 -0.737 -2.847 1.00 0.00 N ATOM 420 CA THR A 28 -13.150 -0.275 -4.185 1.00 0.00 C ATOM 421 C THR A 28 -12.504 1.087 -4.468 1.00 0.00 C ATOM 422 O THR A 28 -12.359 1.905 -3.560 1.00 0.00 O ATOM 423 CB THR A 28 -14.671 -0.143 -4.317 1.00 0.00 C ATOM 424 OG1 THR A 28 -14.985 0.459 -5.565 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.211 0.725 -3.180 1.00 0.00 C ATOM 0 H THR A 28 -12.915 -0.044 -2.109 1.00 0.00 H new ATOM 0 HA THR A 28 -12.786 -1.008 -4.905 1.00 0.00 H new ATOM 0 HB THR A 28 -15.128 -1.131 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.957 0.543 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.293 0.818 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.969 0.263 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.756 1.714 -3.230 1.00 0.00 H new ATOM 433 N PRO A 29 -12.106 1.356 -5.725 1.00 0.00 N ATOM 434 CA PRO A 29 -12.253 0.418 -6.862 1.00 0.00 C ATOM 435 C PRO A 29 -11.144 -0.631 -6.902 1.00 0.00 C ATOM 436 O PRO A 29 -10.135 -0.517 -6.205 1.00 0.00 O ATOM 437 CB PRO A 29 -12.163 1.347 -8.064 1.00 0.00 C ATOM 438 CG PRO A 29 -11.402 2.588 -7.612 1.00 0.00 C ATOM 439 CD PRO A 29 -11.475 2.641 -6.082 1.00 0.00 C ATOM 0 HA PRO A 29 -13.175 -0.162 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.648 0.859 -8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.158 1.613 -8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.365 2.544 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.839 3.486 -8.048 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.486 2.740 -5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.067 3.489 -5.737 1.00 0.00 H new ATOM 447 N VAL A 30 -11.345 -1.657 -7.725 1.00 0.00 N ATOM 448 CA VAL A 30 -10.358 -2.727 -7.852 1.00 0.00 C ATOM 449 C VAL A 30 -9.031 -2.172 -8.360 1.00 0.00 C ATOM 450 O VAL A 30 -8.804 -2.073 -9.567 1.00 0.00 O ATOM 451 CB VAL A 30 -10.854 -3.803 -8.822 1.00 0.00 C ATOM 452 CG1 VAL A 30 -9.904 -5.002 -8.787 1.00 0.00 C ATOM 453 CG2 VAL A 30 -12.257 -4.258 -8.407 1.00 0.00 C ATOM 0 H VAL A 30 -12.174 -1.771 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.213 -3.168 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.886 -3.392 -9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.258 -5.767 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.904 -4.683 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.872 -5.412 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.610 -5.024 -9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.223 -4.667 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.937 -3.407 -8.431 1.00 0.00 H new ATOM 463 N GLY A 31 -8.157 -1.811 -7.425 1.00 0.00 N ATOM 464 CA GLY A 31 -6.851 -1.265 -7.786 1.00 0.00 C ATOM 465 C GLY A 31 -5.836 -2.384 -7.985 1.00 0.00 C ATOM 466 O GLY A 31 -6.065 -3.321 -8.750 1.00 0.00 O ATOM 0 H GLY A 31 -8.326 -1.885 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.937 -0.678 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.505 -0.588 -7.004 1.00 0.00 H new ATOM 470 N ILE A 32 -4.710 -2.278 -7.284 1.00 0.00 N ATOM 471 CA ILE A 32 -3.662 -3.289 -7.390 1.00 0.00 C ATOM 472 C ILE A 32 -4.086 -4.567 -6.653 1.00 0.00 C ATOM 473 O ILE A 32 -4.670 -4.493 -5.572 1.00 0.00 O ATOM 474 CB ILE A 32 -2.356 -2.771 -6.780 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.999 -1.422 -7.410 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.229 -3.770 -7.050 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.931 -0.729 -6.562 1.00 0.00 C ATOM 0 H ILE A 32 -4.501 -1.512 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.505 -3.509 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.484 -2.651 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.633 -1.569 -8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.887 -0.794 -7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.301 -3.398 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.480 -4.732 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.101 -3.893 -8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.677 0.231 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.314 -0.569 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.040 -1.355 -6.516 1.00 0.00 H new ATOM 489 N PRO A 33 -3.804 -5.759 -7.215 1.00 0.00 N ATOM 490 CA PRO A 33 -4.180 -7.028 -6.567 1.00 0.00 C ATOM 491 C PRO A 33 -3.168 -7.473 -5.514 1.00 0.00 C ATOM 492 O PRO A 33 -2.037 -6.987 -5.473 1.00 0.00 O ATOM 493 CB PRO A 33 -4.199 -7.997 -7.742 1.00 0.00 C ATOM 494 CG PRO A 33 -3.290 -7.416 -8.820 1.00 0.00 C ATOM 495 CD PRO A 33 -3.105 -5.926 -8.511 1.00 0.00 C ATOM 0 HA PRO A 33 -5.123 -6.959 -6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.849 -8.982 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.213 -8.123 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.328 -7.928 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.731 -7.551 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.051 -5.658 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.540 -5.297 -9.287 1.00 0.00 H new ATOM 503 N ALA A 34 -3.590 -8.404 -4.663 1.00 0.00 N ATOM 504 CA ALA A 34 -2.717 -8.916 -3.610 1.00 0.00 C ATOM 505 C ALA A 34 -1.539 -9.688 -4.207 1.00 0.00 C ATOM 506 O ALA A 34 -0.474 -9.786 -3.601 1.00 0.00 O ATOM 507 CB ALA A 34 -3.496 -9.842 -2.673 1.00 0.00 C ATOM 0 H ALA A 34 -4.523 -8.817 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.338 -8.062 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.831 -10.215 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.317 -9.290 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.896 -10.682 -3.241 1.00 0.00 H new ATOM 513 N GLU A 35 -1.744 -10.241 -5.400 1.00 0.00 N ATOM 514 CA GLU A 35 -0.695 -11.006 -6.066 1.00 0.00 C ATOM 515 C GLU A 35 0.571 -10.164 -6.266 1.00 0.00 C ATOM 516 O GLU A 35 1.665 -10.703 -6.430 1.00 0.00 O ATOM 517 CB GLU A 35 -1.190 -11.499 -7.432 1.00 0.00 C ATOM 518 CG GLU A 35 -0.762 -12.952 -7.642 1.00 0.00 C ATOM 519 CD GLU A 35 -0.983 -13.344 -9.099 1.00 0.00 C ATOM 520 OE1 GLU A 35 -0.096 -13.098 -9.899 1.00 0.00 O ATOM 521 OE2 GLU A 35 -2.037 -13.884 -9.392 1.00 0.00 O ATOM 0 H GLU A 35 -2.619 -10.175 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.451 -11.856 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.276 -11.418 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.783 -10.872 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.288 -13.074 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.335 -13.609 -6.987 1.00 0.00 H new ATOM 528 N ASP A 36 0.413 -8.840 -6.264 1.00 0.00 N ATOM 529 CA ASP A 36 1.558 -7.953 -6.462 1.00 0.00 C ATOM 530 C ASP A 36 1.915 -7.206 -5.177 1.00 0.00 C ATOM 531 O ASP A 36 2.300 -6.038 -5.206 1.00 0.00 O ATOM 532 CB ASP A 36 1.263 -6.937 -7.567 1.00 0.00 C ATOM 533 CG ASP A 36 0.829 -7.672 -8.832 1.00 0.00 C ATOM 534 OD1 ASP A 36 -0.142 -8.408 -8.762 1.00 0.00 O ATOM 535 OD2 ASP A 36 1.472 -7.487 -9.851 1.00 0.00 O ATOM 0 H ASP A 36 -0.480 -8.365 -6.130 1.00 0.00 H new ATOM 0 HA ASP A 36 2.405 -8.576 -6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.479 -6.251 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.150 -6.336 -7.769 1.00 0.00 H new ATOM 540 N ILE A 37 1.801 -7.897 -4.048 1.00 0.00 N ATOM 541 CA ILE A 37 2.135 -7.294 -2.761 1.00 0.00 C ATOM 542 C ILE A 37 3.660 -7.333 -2.522 1.00 0.00 C ATOM 543 O ILE A 37 4.243 -6.322 -2.131 1.00 0.00 O ATOM 544 CB ILE A 37 1.384 -8.009 -1.622 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.111 -7.708 -1.751 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.865 -7.513 -0.249 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.914 -8.771 -1.000 1.00 0.00 C ATOM 0 H ILE A 37 1.483 -8.865 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 37 1.821 -6.250 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 37 1.576 -9.079 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.330 -6.720 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.400 -7.694 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.319 -8.034 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.931 -7.712 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.686 -6.441 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.979 -8.556 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.704 -9.753 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.632 -8.763 0.053 1.00 0.00 H new ATOM 559 N PRO A 38 4.334 -8.479 -2.749 1.00 0.00 N ATOM 560 CA PRO A 38 5.795 -8.562 -2.538 1.00 0.00 C ATOM 561 C PRO A 38 6.590 -7.916 -3.673 1.00 0.00 C ATOM 562 O PRO A 38 7.743 -7.523 -3.495 1.00 0.00 O ATOM 563 CB PRO A 38 6.039 -10.064 -2.486 1.00 0.00 C ATOM 564 CG PRO A 38 4.891 -10.728 -3.230 1.00 0.00 C ATOM 565 CD PRO A 38 3.718 -9.743 -3.224 1.00 0.00 C ATOM 0 HA PRO A 38 6.118 -8.029 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.994 -10.316 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.082 -10.412 -1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.184 -10.971 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.610 -11.664 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.283 -9.630 -4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.918 -10.074 -2.562 1.00 0.00 H new ATOM 573 N ARG A 39 5.959 -7.805 -4.840 1.00 0.00 N ATOM 574 CA ARG A 39 6.615 -7.196 -5.994 1.00 0.00 C ATOM 575 C ARG A 39 6.589 -5.669 -5.891 1.00 0.00 C ATOM 576 O ARG A 39 7.407 -4.983 -6.504 1.00 0.00 O ATOM 577 CB ARG A 39 5.916 -7.618 -7.289 1.00 0.00 C ATOM 578 CG ARG A 39 6.178 -9.103 -7.550 1.00 0.00 C ATOM 579 CD ARG A 39 5.897 -9.419 -9.020 1.00 0.00 C ATOM 580 NE ARG A 39 5.968 -10.859 -9.259 1.00 0.00 N ATOM 581 CZ ARG A 39 6.200 -11.340 -10.477 1.00 0.00 C ATOM 582 NH1 ARG A 39 7.415 -11.351 -10.953 1.00 0.00 N ATOM 583 NH2 ARG A 39 5.213 -11.801 -11.196 1.00 0.00 N ATOM 0 H ARG A 39 5.006 -8.125 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 39 7.650 -7.538 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.844 -7.435 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.283 -7.021 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.211 -9.350 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.543 -9.714 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.910 -9.047 -9.295 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.619 -8.904 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 39 5.838 -11.505 -8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.186 -10.991 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.593 -11.720 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.263 -11.792 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.391 -12.170 -12.130 1.00 0.00 H new ATOM 597 N LEU A 40 5.641 -5.142 -5.113 1.00 0.00 N ATOM 598 CA LEU A 40 5.523 -3.695 -4.945 1.00 0.00 C ATOM 599 C LEU A 40 6.226 -3.235 -3.668 1.00 0.00 C ATOM 600 O LEU A 40 5.843 -2.234 -3.062 1.00 0.00 O ATOM 601 CB LEU A 40 4.048 -3.288 -4.871 1.00 0.00 C ATOM 602 CG LEU A 40 3.537 -2.949 -6.272 1.00 0.00 C ATOM 603 CD1 LEU A 40 3.249 -4.240 -7.040 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.250 -2.129 -6.155 1.00 0.00 C ATOM 0 H LEU A 40 4.953 -5.689 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 40 5.996 -3.221 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.458 -4.099 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.931 -2.428 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 40 4.293 -2.373 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.885 -3.996 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.164 -4.827 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.493 -4.818 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.882 -1.885 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.496 -2.709 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.454 -1.208 -5.608 1.00 0.00 H new ATOM 616 N VAL A 41 7.259 -3.971 -3.264 1.00 0.00 N ATOM 617 CA VAL A 41 8.002 -3.618 -2.057 1.00 0.00 C ATOM 618 C VAL A 41 9.065 -2.570 -2.379 1.00 0.00 C ATOM 619 O VAL A 41 9.657 -2.576 -3.459 1.00 0.00 O ATOM 620 CB VAL A 41 8.678 -4.855 -1.459 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.312 -4.496 -0.112 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.634 -5.954 -1.248 1.00 0.00 C ATOM 0 H VAL A 41 7.597 -4.804 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 41 7.297 -3.211 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 41 9.451 -5.208 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.792 -5.378 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.056 -3.713 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.540 -4.141 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.114 -6.835 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.862 -5.597 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.181 -6.214 -2.205 1.00 0.00 H new ATOM 632 N SER A 42 9.299 -1.671 -1.427 1.00 0.00 N ATOM 633 CA SER A 42 10.292 -0.613 -1.613 1.00 0.00 C ATOM 634 C SER A 42 9.915 0.269 -2.799 1.00 0.00 C ATOM 635 O SER A 42 10.781 0.789 -3.506 1.00 0.00 O ATOM 636 CB SER A 42 11.678 -1.212 -1.856 1.00 0.00 C ATOM 637 OG SER A 42 12.315 -1.444 -0.606 1.00 0.00 O ATOM 0 H SER A 42 8.821 -1.652 -0.526 1.00 0.00 H new ATOM 0 HA SER A 42 10.314 -0.011 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.591 -2.146 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.278 -0.534 -2.463 1.00 0.00 H new ATOM 0 HG SER A 42 13.203 -1.830 -0.758 1.00 0.00 H new ATOM 643 N MET A 43 8.613 0.433 -3.009 1.00 0.00 N ATOM 644 CA MET A 43 8.125 1.256 -4.114 1.00 0.00 C ATOM 645 C MET A 43 7.841 2.676 -3.635 1.00 0.00 C ATOM 646 O MET A 43 7.231 2.883 -2.586 1.00 0.00 O ATOM 647 CB MET A 43 6.843 0.662 -4.701 1.00 0.00 C ATOM 648 CG MET A 43 7.123 -0.754 -5.208 1.00 0.00 C ATOM 649 SD MET A 43 8.062 -0.667 -6.752 1.00 0.00 S ATOM 650 CE MET A 43 6.650 -0.473 -7.867 1.00 0.00 C ATOM 0 H MET A 43 7.882 0.012 -2.436 1.00 0.00 H new ATOM 0 HA MET A 43 8.898 1.279 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.059 0.640 -3.944 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.480 1.287 -5.517 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.683 -1.315 -4.460 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.185 -1.286 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.578 -1.344 -8.518 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.735 -0.381 -7.282 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.785 0.423 -8.473 1.00 0.00 H new ATOM 660 N GLN A 44 8.291 3.652 -4.418 1.00 0.00 N ATOM 661 CA GLN A 44 8.080 5.054 -4.068 1.00 0.00 C ATOM 662 C GLN A 44 6.771 5.561 -4.664 1.00 0.00 C ATOM 663 O GLN A 44 6.407 5.212 -5.787 1.00 0.00 O ATOM 664 CB GLN A 44 9.232 5.916 -4.591 1.00 0.00 C ATOM 665 CG GLN A 44 10.510 5.585 -3.818 1.00 0.00 C ATOM 666 CD GLN A 44 11.619 6.544 -4.234 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.441 6.219 -5.091 1.00 0.00 O ATOM 668 NE2 GLN A 44 11.693 7.720 -3.672 1.00 0.00 N ATOM 0 H GLN A 44 8.799 3.502 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 44 8.037 5.126 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.381 5.735 -5.655 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.990 6.973 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.330 5.664 -2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.811 4.556 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.012 7.990 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.432 8.369 -3.943 1.00 0.00 H new ATOM 677 N VAL A 45 6.068 6.389 -3.897 1.00 0.00 N ATOM 678 CA VAL A 45 4.796 6.941 -4.355 1.00 0.00 C ATOM 679 C VAL A 45 4.979 8.382 -4.822 1.00 0.00 C ATOM 680 O VAL A 45 6.035 8.984 -4.628 1.00 0.00 O ATOM 681 CB VAL A 45 3.761 6.909 -3.231 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.425 5.457 -2.888 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.332 7.606 -1.993 1.00 0.00 C ATOM 0 H VAL A 45 6.353 6.690 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 45 4.445 6.330 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 45 2.857 7.424 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.687 5.434 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.020 4.959 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.329 4.941 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.595 7.584 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.236 7.090 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.572 8.641 -2.236 1.00 0.00 H new ATOM 693 N ASN A 46 3.935 8.928 -5.440 1.00 0.00 N ATOM 694 CA ASN A 46 3.987 10.302 -5.934 1.00 0.00 C ATOM 695 C ASN A 46 3.475 11.274 -4.874 1.00 0.00 C ATOM 696 O ASN A 46 3.920 12.419 -4.795 1.00 0.00 O ATOM 697 CB ASN A 46 3.139 10.450 -7.200 1.00 0.00 C ATOM 698 CG ASN A 46 1.713 9.985 -6.919 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.420 8.791 -6.979 1.00 0.00 O ATOM 700 ND2 ASN A 46 0.801 10.866 -6.614 1.00 0.00 N ATOM 0 H ASN A 46 3.052 8.447 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 46 5.027 10.535 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.135 11.490 -7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.571 9.862 -8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.155 10.566 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.044 11.855 -6.564 1.00 0.00 H new ATOM 707 N ARG A 47 2.534 10.805 -4.059 1.00 0.00 N ATOM 708 CA ARG A 47 1.967 11.642 -3.005 1.00 0.00 C ATOM 709 C ARG A 47 1.765 10.834 -1.727 1.00 0.00 C ATOM 710 O ARG A 47 1.858 9.606 -1.729 1.00 0.00 O ATOM 711 CB ARG A 47 0.622 12.226 -3.448 1.00 0.00 C ATOM 712 CG ARG A 47 -0.321 11.093 -3.870 1.00 0.00 C ATOM 713 CD ARG A 47 -1.279 10.766 -2.722 1.00 0.00 C ATOM 714 NE ARG A 47 -2.362 11.744 -2.663 1.00 0.00 N ATOM 715 CZ ARG A 47 -2.587 12.452 -1.559 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.129 11.883 -0.517 1.00 0.00 N ATOM 717 NH2 ARG A 47 -2.266 13.716 -1.518 1.00 0.00 N ATOM 0 H ARG A 47 2.151 9.861 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 47 2.667 12.454 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.177 12.798 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.770 12.917 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.885 11.387 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.256 10.208 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.691 9.766 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.735 10.760 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.955 11.887 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.380 10.895 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.301 12.426 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.843 14.161 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.438 14.259 -0.672 1.00 0.00 H new ATOM 731 N ALA A 48 1.492 11.540 -0.633 1.00 0.00 N ATOM 732 CA ALA A 48 1.281 10.883 0.656 1.00 0.00 C ATOM 733 C ALA A 48 0.003 10.049 0.631 1.00 0.00 C ATOM 734 O ALA A 48 -1.091 10.568 0.410 1.00 0.00 O ATOM 735 CB ALA A 48 1.176 11.921 1.774 1.00 0.00 C ATOM 0 H ALA A 48 1.412 12.557 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 48 2.134 10.231 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.019 11.415 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.097 12.502 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.337 12.587 1.574 1.00 0.00 H new ATOM 741 N VAL A 49 0.157 8.750 0.867 1.00 0.00 N ATOM 742 CA VAL A 49 -0.989 7.844 0.875 1.00 0.00 C ATOM 743 C VAL A 49 -1.333 7.440 2.316 1.00 0.00 C ATOM 744 O VAL A 49 -0.537 6.767 2.972 1.00 0.00 O ATOM 745 CB VAL A 49 -0.674 6.580 0.069 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.939 5.729 -0.065 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.178 6.973 -1.326 1.00 0.00 C ATOM 0 H VAL A 49 1.055 8.303 1.054 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.836 8.362 0.425 1.00 0.00 H new ATOM 0 HB VAL A 49 0.098 6.007 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.714 4.830 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.295 5.447 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.711 6.303 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.046 6.073 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.950 7.547 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.724 7.579 -1.234 1.00 0.00 H new ATOM 757 N PRO A 50 -2.508 7.836 2.840 1.00 0.00 N ATOM 758 CA PRO A 50 -2.896 7.483 4.219 1.00 0.00 C ATOM 759 C PRO A 50 -3.466 6.070 4.325 1.00 0.00 C ATOM 760 O PRO A 50 -3.509 5.326 3.345 1.00 0.00 O ATOM 761 CB PRO A 50 -3.962 8.522 4.536 1.00 0.00 C ATOM 762 CG PRO A 50 -4.537 8.994 3.206 1.00 0.00 C ATOM 763 CD PRO A 50 -3.518 8.645 2.117 1.00 0.00 C ATOM 0 HA PRO A 50 -2.049 7.486 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.744 8.093 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.533 9.358 5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.493 8.509 3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.723 10.068 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.976 8.083 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.077 9.540 1.678 1.00 0.00 H new ATOM 771 N LEU A 51 -3.900 5.709 5.529 1.00 0.00 N ATOM 772 CA LEU A 51 -4.464 4.382 5.760 1.00 0.00 C ATOM 773 C LEU A 51 -5.827 4.258 5.085 1.00 0.00 C ATOM 774 O LEU A 51 -6.499 5.254 4.818 1.00 0.00 O ATOM 775 CB LEU A 51 -4.625 4.121 7.258 1.00 0.00 C ATOM 776 CG LEU A 51 -3.247 3.928 7.893 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.629 5.294 8.195 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.393 3.138 9.195 1.00 0.00 C ATOM 0 H LEU A 51 -3.873 6.310 6.353 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.779 3.647 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.141 4.957 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.239 3.235 7.420 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.603 3.381 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.647 5.157 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.526 5.860 7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.273 5.840 8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.412 3.000 9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.037 3.686 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.835 2.165 8.982 1.00 0.00 H new ATOM 790 N GLY A 52 -6.226 3.018 4.810 1.00 0.00 N ATOM 791 CA GLY A 52 -7.511 2.766 4.165 1.00 0.00 C ATOM 792 C GLY A 52 -7.543 3.374 2.766 1.00 0.00 C ATOM 793 O GLY A 52 -8.591 3.801 2.284 1.00 0.00 O ATOM 0 H GLY A 52 -5.684 2.180 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.688 1.692 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.315 3.188 4.768 1.00 0.00 H new ATOM 797 N THR A 53 -6.380 3.406 2.121 1.00 0.00 N ATOM 798 CA THR A 53 -6.284 3.962 0.774 1.00 0.00 C ATOM 799 C THR A 53 -5.943 2.866 -0.230 1.00 0.00 C ATOM 800 O THR A 53 -4.894 2.228 -0.142 1.00 0.00 O ATOM 801 CB THR A 53 -5.204 5.045 0.716 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.373 5.938 1.808 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.322 5.816 -0.600 1.00 0.00 C ATOM 0 H THR A 53 -5.501 3.058 2.503 1.00 0.00 H new ATOM 0 HA THR A 53 -7.250 4.400 0.521 1.00 0.00 H new ATOM 0 HB THR A 53 -4.219 4.581 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.501 6.129 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.553 6.587 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.192 5.130 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.306 6.282 -0.662 1.00 0.00 H new ATOM 811 N THR A 54 -6.844 2.654 -1.185 1.00 0.00 N ATOM 812 CA THR A 54 -6.634 1.630 -2.204 1.00 0.00 C ATOM 813 C THR A 54 -5.387 1.944 -3.027 1.00 0.00 C ATOM 814 O THR A 54 -5.390 2.843 -3.867 1.00 0.00 O ATOM 815 CB THR A 54 -7.841 1.551 -3.141 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.033 1.499 -2.369 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.736 0.294 -4.007 1.00 0.00 C ATOM 0 H THR A 54 -7.718 3.172 -1.275 1.00 0.00 H new ATOM 0 HA THR A 54 -6.504 0.674 -1.697 1.00 0.00 H new ATOM 0 HB THR A 54 -7.861 2.431 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.808 1.450 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.596 0.239 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.821 0.335 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.716 -0.588 -3.367 1.00 0.00 H new ATOM 825 N LEU A 55 -4.322 1.188 -2.773 1.00 0.00 N ATOM 826 CA LEU A 55 -3.067 1.387 -3.494 1.00 0.00 C ATOM 827 C LEU A 55 -3.267 1.154 -4.988 1.00 0.00 C ATOM 828 O LEU A 55 -3.576 0.044 -5.423 1.00 0.00 O ATOM 829 CB LEU A 55 -1.997 0.424 -2.978 1.00 0.00 C ATOM 830 CG LEU A 55 -0.609 1.001 -3.262 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.328 2.153 -2.294 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.444 -0.092 -3.074 1.00 0.00 C ATOM 0 H LEU A 55 -4.301 0.439 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.742 2.414 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.123 0.264 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.104 -0.547 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.571 1.371 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.661 2.565 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.079 2.931 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.365 1.784 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.434 0.318 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.406 -0.461 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.244 -0.913 -3.763 1.00 0.00 H new ATOM 844 N MET A 56 -3.086 2.215 -5.770 1.00 0.00 N ATOM 845 CA MET A 56 -3.248 2.119 -7.218 1.00 0.00 C ATOM 846 C MET A 56 -1.881 2.032 -7.903 1.00 0.00 C ATOM 847 O MET A 56 -0.877 2.481 -7.351 1.00 0.00 O ATOM 848 CB MET A 56 -3.999 3.339 -7.754 1.00 0.00 C ATOM 849 CG MET A 56 -5.479 3.231 -7.381 1.00 0.00 C ATOM 850 SD MET A 56 -6.273 4.844 -7.596 1.00 0.00 S ATOM 851 CE MET A 56 -7.986 4.267 -7.502 1.00 0.00 C ATOM 0 H MET A 56 -2.830 3.142 -5.430 1.00 0.00 H new ATOM 0 HA MET A 56 -3.821 1.217 -7.435 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.574 4.253 -7.338 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.889 3.400 -8.837 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.970 2.486 -8.007 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.582 2.898 -6.348 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.662 5.115 -7.613 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.172 3.548 -8.300 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.157 3.790 -6.537 1.00 0.00 H new ATOM 861 N PRO A 57 -1.818 1.455 -9.116 1.00 0.00 N ATOM 862 CA PRO A 57 -0.548 1.327 -9.852 1.00 0.00 C ATOM 863 C PRO A 57 -0.172 2.603 -10.601 1.00 0.00 C ATOM 864 O PRO A 57 1.005 2.880 -10.834 1.00 0.00 O ATOM 865 CB PRO A 57 -0.850 0.196 -10.828 1.00 0.00 C ATOM 866 CG PRO A 57 -2.363 0.159 -11.016 1.00 0.00 C ATOM 867 CD PRO A 57 -2.992 0.898 -9.830 1.00 0.00 C ATOM 0 HA PRO A 57 0.300 1.139 -9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.347 0.364 -11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.487 -0.755 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.644 0.633 -11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.719 -0.870 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.672 1.683 -10.160 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.567 0.224 -9.195 1.00 0.00 H new ATOM 875 N ASP A 58 -1.187 3.378 -10.975 1.00 0.00 N ATOM 876 CA ASP A 58 -0.954 4.625 -11.698 1.00 0.00 C ATOM 877 C ASP A 58 -0.197 5.616 -10.819 1.00 0.00 C ATOM 878 O ASP A 58 0.660 6.361 -11.294 1.00 0.00 O ATOM 879 CB ASP A 58 -2.282 5.253 -12.127 1.00 0.00 C ATOM 880 CG ASP A 58 -3.190 5.401 -10.911 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.984 6.335 -10.154 1.00 0.00 O ATOM 882 OD2 ASP A 58 -4.079 4.580 -10.756 1.00 0.00 O ATOM 0 H ASP A 58 -2.168 3.168 -10.792 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.360 4.395 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.105 6.227 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.764 4.631 -12.881 1.00 0.00 H new ATOM 887 N MET A 59 -0.523 5.613 -9.530 1.00 0.00 N ATOM 888 CA MET A 59 0.133 6.514 -8.587 1.00 0.00 C ATOM 889 C MET A 59 1.537 6.015 -8.264 1.00 0.00 C ATOM 890 O MET A 59 2.461 6.803 -8.059 1.00 0.00 O ATOM 891 CB MET A 59 -0.673 6.610 -7.289 1.00 0.00 C ATOM 892 CG MET A 59 -2.037 7.239 -7.578 1.00 0.00 C ATOM 893 SD MET A 59 -2.635 8.092 -6.098 1.00 0.00 S ATOM 894 CE MET A 59 -2.853 6.623 -5.063 1.00 0.00 C ATOM 0 H MET A 59 -1.230 5.004 -9.117 1.00 0.00 H new ATOM 0 HA MET A 59 0.194 7.499 -9.049 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.803 5.618 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.132 7.210 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.957 7.941 -8.408 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.748 6.469 -7.879 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.433 6.884 -4.178 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.381 5.855 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.877 6.244 -4.759 1.00 0.00 H new ATOM 904 N VAL A 60 1.686 4.694 -8.220 1.00 0.00 N ATOM 905 CA VAL A 60 2.982 4.092 -7.921 1.00 0.00 C ATOM 906 C VAL A 60 3.865 4.091 -9.166 1.00 0.00 C ATOM 907 O VAL A 60 3.602 3.373 -10.131 1.00 0.00 O ATOM 908 CB VAL A 60 2.802 2.653 -7.428 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.150 2.092 -6.967 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.820 2.636 -6.254 1.00 0.00 C ATOM 0 H VAL A 60 0.934 4.025 -8.386 1.00 0.00 H new ATOM 0 HA VAL A 60 3.460 4.683 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 60 2.414 2.040 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.018 1.068 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.853 2.103 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.541 2.705 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.691 1.612 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.211 3.252 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.858 3.032 -6.579 1.00 0.00 H new ATOM 920 N LYS A 61 4.918 4.903 -9.131 1.00 0.00 N ATOM 921 CA LYS A 61 5.840 4.992 -10.260 1.00 0.00 C ATOM 922 C LYS A 61 6.863 3.863 -10.202 1.00 0.00 C ATOM 923 O LYS A 61 7.496 3.630 -9.172 1.00 0.00 O ATOM 924 CB LYS A 61 6.576 6.334 -10.247 1.00 0.00 C ATOM 925 CG LYS A 61 5.559 7.474 -10.178 1.00 0.00 C ATOM 926 CD LYS A 61 4.872 7.629 -11.537 1.00 0.00 C ATOM 927 CE LYS A 61 5.662 8.615 -12.400 1.00 0.00 C ATOM 928 NZ LYS A 61 4.924 8.864 -13.671 1.00 0.00 N ATOM 0 H LYS A 61 5.153 5.504 -8.341 1.00 0.00 H new ATOM 0 HA LYS A 61 5.257 4.908 -11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.251 6.382 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.189 6.433 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.818 7.268 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.057 8.404 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.809 6.662 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.851 7.985 -11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.807 9.552 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.653 8.214 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.460 9.534 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.808 7.968 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.988 9.264 -13.456 1.00 0.00 H new ATOM 942 N GLY A 62 7.016 3.162 -11.322 1.00 0.00 N ATOM 943 CA GLY A 62 7.965 2.054 -11.392 1.00 0.00 C ATOM 944 C GLY A 62 7.232 0.722 -11.505 1.00 0.00 C ATOM 945 O GLY A 62 7.715 -0.220 -12.133 1.00 0.00 O ATOM 0 H GLY A 62 6.502 3.338 -12.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.623 2.186 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.596 2.053 -10.503 1.00 0.00 H new ATOM 949 N TYR A 63 6.056 0.656 -10.888 1.00 0.00 N ATOM 950 CA TYR A 63 5.255 -0.565 -10.922 1.00 0.00 C ATOM 951 C TYR A 63 4.831 -0.882 -12.354 1.00 0.00 C ATOM 952 O TYR A 63 4.084 -0.129 -12.978 1.00 0.00 O ATOM 953 CB TYR A 63 4.004 -0.407 -10.037 1.00 0.00 C ATOM 954 CG TYR A 63 3.125 -1.654 -10.058 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.628 -2.913 -10.507 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.778 -1.554 -9.615 1.00 0.00 C ATOM 957 CE1 TYR A 63 2.784 -4.056 -10.512 1.00 0.00 C ATOM 958 CE2 TYR A 63 0.938 -2.698 -9.621 1.00 0.00 C ATOM 959 CZ TYR A 63 1.439 -3.948 -10.070 1.00 0.00 C ATOM 960 OH TYR A 63 0.621 -5.059 -10.074 1.00 0.00 O ATOM 0 H TYR A 63 5.639 1.425 -10.363 1.00 0.00 H new ATOM 0 HA TYR A 63 5.863 -1.385 -10.540 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.310 -0.197 -9.012 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.424 0.450 -10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.651 -2.996 -10.843 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.393 -0.605 -9.273 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.166 -5.007 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.085 -2.617 -9.283 1.00 0.00 H new ATOM 0 HH TYR A 63 1.130 -5.839 -10.378 1.00 0.00 H new ATOM 970 N ALA A 64 5.320 -2.009 -12.865 1.00 0.00 N ATOM 971 CA ALA A 64 4.988 -2.422 -14.222 1.00 0.00 C ATOM 972 C ALA A 64 3.582 -3.013 -14.274 1.00 0.00 C ATOM 973 O ALA A 64 2.747 -2.596 -15.077 1.00 0.00 O ATOM 974 CB ALA A 64 5.986 -3.468 -14.726 1.00 0.00 C ATOM 0 H ALA A 64 5.941 -2.645 -12.365 1.00 0.00 H new ATOM 0 HA ALA A 64 5.035 -1.539 -14.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.721 -3.764 -15.741 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.990 -3.044 -14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.958 -4.341 -14.074 1.00 0.00 H new ATOM 980 N ALA A 65 3.330 -3.989 -13.405 1.00 0.00 N ATOM 981 CA ALA A 65 2.019 -4.635 -13.354 1.00 0.00 C ATOM 982 C ALA A 65 1.701 -5.303 -14.688 1.00 0.00 C ATOM 983 O ALA A 65 1.320 -4.597 -15.607 1.00 0.00 O ATOM 984 CB ALA A 65 0.926 -3.612 -13.036 1.00 0.00 C ATOM 0 H ALA A 65 4.008 -4.348 -12.733 1.00 0.00 H new ATOM 0 HA ALA A 65 2.048 -5.389 -12.567 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.042 -4.112 -13.002 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.130 -3.150 -12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.911 -2.844 -13.809 1.00 0.00 H new TER 990 ALA A 65