USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 1.06 USER MOD Set 1.2: A 56 THR OG1 : rot 78:sc= 0.988 USER MOD Set 2.1: A 37 SER OG : rot 110:sc= 0.932 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.684 X(o=1.6,f=1.4) USER MOD Single : A 1 LEU N :NH3+ 150:sc= 0.0095 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.663 K(o=0.66,f=-0.054) USER MOD Single : A 5 THR OG1 : rot 64:sc= 0.0733 USER MOD Single : A 8 ASN : amide:sc= 0.446 X(o=0.45,f=-0.004) USER MOD Single : A 12 MET CE :methyl 170:sc= -0.0959 (180deg=-0.285) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.036) USER MOD Single : A 19 GLN : amide:sc= 0.302 X(o=0.3,f=-0.1) USER MOD Single : A 20 SER OG : rot 76:sc= 0.911 USER MOD Single : A 26 SER OG : rot 73:sc= 1.02 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc=-0.00541 (180deg=-0.0995) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.363) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 41 SER OG : rot 11:sc= 0.885 USER MOD Single : A 42 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00364 USER MOD Single : A 64 MET CE :methyl 176:sc= 0 (180deg=-0.0333) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -84:sc= 0.835 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.567 -17.735 -1.349 1.00 0.00 N ATOM 2 CA LEU A 1 5.746 -17.100 -2.395 1.00 0.00 C ATOM 3 C LEU A 1 5.681 -15.588 -2.186 1.00 0.00 C ATOM 4 O LEU A 1 5.521 -15.132 -1.056 1.00 0.00 O ATOM 5 CB LEU A 1 4.340 -17.718 -2.412 1.00 0.00 C ATOM 6 CG LEU A 1 3.414 -17.174 -3.515 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.931 -17.499 -4.922 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.019 -17.782 -3.337 1.00 0.00 C ATOM 0 H1 LEU A 1 6.222 -18.700 -1.175 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.558 -17.773 -1.661 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.501 -17.180 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 1 6.211 -17.281 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.433 -18.797 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.870 -17.546 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 1 3.382 -16.089 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.243 -17.094 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.917 -17.054 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.001 -18.580 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.355 -17.403 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.083 -18.868 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.625 -17.509 -2.358 1.00 0.00 H new ATOM 22 N THR A 2 5.804 -14.817 -3.274 1.00 0.00 N ATOM 23 CA THR A 2 5.696 -13.365 -3.261 1.00 0.00 C ATOM 24 C THR A 2 4.918 -12.892 -4.489 1.00 0.00 C ATOM 25 O THR A 2 4.960 -13.528 -5.541 1.00 0.00 O ATOM 26 CB THR A 2 7.085 -12.710 -3.222 1.00 0.00 C ATOM 27 OG1 THR A 2 7.882 -13.186 -4.288 1.00 0.00 O ATOM 28 CG2 THR A 2 7.807 -12.966 -1.897 1.00 0.00 C ATOM 0 H THR A 2 5.985 -15.199 -4.202 1.00 0.00 H new ATOM 0 HA THR A 2 5.159 -13.066 -2.361 1.00 0.00 H new ATOM 0 HB THR A 2 6.933 -11.635 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.764 -12.760 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.784 -12.484 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.217 -12.558 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.935 -14.039 -1.754 1.00 0.00 H new ATOM 36 N GLN A 3 4.217 -11.763 -4.336 1.00 0.00 N ATOM 37 CA GLN A 3 3.506 -11.041 -5.381 1.00 0.00 C ATOM 38 C GLN A 3 3.665 -9.544 -5.112 1.00 0.00 C ATOM 39 O GLN A 3 4.014 -9.152 -3.999 1.00 0.00 O ATOM 40 CB GLN A 3 2.018 -11.422 -5.367 1.00 0.00 C ATOM 41 CG GLN A 3 1.723 -12.825 -5.914 1.00 0.00 C ATOM 42 CD GLN A 3 1.978 -12.928 -7.416 1.00 0.00 C ATOM 43 OE1 GLN A 3 1.109 -12.594 -8.218 1.00 0.00 O ATOM 44 NE2 GLN A 3 3.166 -13.393 -7.807 1.00 0.00 N ATOM 0 H GLN A 3 4.130 -11.309 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 3 3.914 -11.295 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.648 -11.358 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.462 -10.691 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.343 -13.554 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.685 -13.083 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.863 -13.661 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.377 -13.481 -8.801 1.00 0.00 H new ATOM 53 N GLU A 4 3.403 -8.717 -6.133 1.00 0.00 N ATOM 54 CA GLU A 4 3.428 -7.263 -6.040 1.00 0.00 C ATOM 55 C GLU A 4 2.061 -6.710 -6.437 1.00 0.00 C ATOM 56 O GLU A 4 1.423 -7.243 -7.345 1.00 0.00 O ATOM 57 CB GLU A 4 4.546 -6.697 -6.928 1.00 0.00 C ATOM 58 CG GLU A 4 4.742 -5.192 -6.693 1.00 0.00 C ATOM 59 CD GLU A 4 5.934 -4.650 -7.476 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.060 -4.748 -6.942 1.00 0.00 O ATOM 61 OE2 GLU A 4 5.697 -4.146 -8.595 1.00 0.00 O ATOM 0 H GLU A 4 3.163 -9.055 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 4 3.638 -6.959 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.478 -7.223 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.305 -6.875 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.839 -4.657 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.890 -5.006 -5.629 1.00 0.00 H new ATOM 68 N THR A 5 1.620 -5.647 -5.754 1.00 0.00 N ATOM 69 CA THR A 5 0.374 -4.950 -6.040 1.00 0.00 C ATOM 70 C THR A 5 0.627 -3.444 -6.054 1.00 0.00 C ATOM 71 O THR A 5 1.278 -2.914 -5.153 1.00 0.00 O ATOM 72 CB THR A 5 -0.718 -5.358 -5.034 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.940 -4.733 -5.365 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.377 -5.030 -3.575 1.00 0.00 C ATOM 0 H THR A 5 2.135 -5.244 -4.971 1.00 0.00 H new ATOM 0 HA THR A 5 0.008 -5.235 -7.026 1.00 0.00 H new ATOM 0 HB THR A 5 -0.796 -6.443 -5.109 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.247 -5.056 -6.238 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.196 -5.348 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.535 -5.553 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.228 -3.955 -3.469 1.00 0.00 H new ATOM 82 N VAL A 6 0.102 -2.768 -7.084 1.00 0.00 N ATOM 83 CA VAL A 6 0.089 -1.319 -7.193 1.00 0.00 C ATOM 84 C VAL A 6 -1.308 -0.861 -6.782 1.00 0.00 C ATOM 85 O VAL A 6 -2.278 -1.085 -7.506 1.00 0.00 O ATOM 86 CB VAL A 6 0.456 -0.873 -8.620 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.424 0.658 -8.730 1.00 0.00 C ATOM 88 CG2 VAL A 6 1.856 -1.367 -9.005 1.00 0.00 C ATOM 0 H VAL A 6 -0.334 -3.233 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 6 0.835 -0.864 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.278 -1.306 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.686 0.955 -9.745 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.577 1.019 -8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.140 1.088 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.092 -1.039 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.590 -0.958 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.883 -2.456 -8.961 1.00 0.00 H new ATOM 98 N ILE A 7 -1.401 -0.225 -5.612 1.00 0.00 N ATOM 99 CA ILE A 7 -2.640 0.307 -5.075 1.00 0.00 C ATOM 100 C ILE A 7 -2.636 1.799 -5.383 1.00 0.00 C ATOM 101 O ILE A 7 -1.750 2.513 -4.922 1.00 0.00 O ATOM 102 CB ILE A 7 -2.732 0.031 -3.561 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.440 -1.456 -3.275 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.120 0.449 -3.050 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.684 -1.864 -1.821 1.00 0.00 C ATOM 0 H ILE A 7 -0.597 -0.066 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.512 -0.168 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.983 0.619 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.063 -2.071 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.403 -1.669 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.187 0.255 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.271 1.512 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.887 -0.123 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.457 -2.923 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.041 -1.276 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.728 -1.684 -1.563 1.00 0.00 H new ATOM 117 N ASN A 8 -3.611 2.267 -6.166 1.00 0.00 N ATOM 118 CA ASN A 8 -3.782 3.674 -6.490 1.00 0.00 C ATOM 119 C ASN A 8 -4.381 4.355 -5.263 1.00 0.00 C ATOM 120 O ASN A 8 -5.549 4.134 -4.953 1.00 0.00 O ATOM 121 CB ASN A 8 -4.692 3.841 -7.715 1.00 0.00 C ATOM 122 CG ASN A 8 -4.238 2.988 -8.896 1.00 0.00 C ATOM 123 OD1 ASN A 8 -3.399 3.410 -9.689 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.796 1.782 -9.017 1.00 0.00 N ATOM 0 H ASN A 8 -4.312 1.664 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.824 4.129 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.713 3.570 -7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.708 4.890 -8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.530 1.172 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.489 1.470 -8.337 1.00 0.00 H new ATOM 131 N ILE A 9 -3.571 5.154 -4.560 1.00 0.00 N ATOM 132 CA ILE A 9 -3.920 5.806 -3.308 1.00 0.00 C ATOM 133 C ILE A 9 -3.988 7.298 -3.604 1.00 0.00 C ATOM 134 O ILE A 9 -2.965 7.981 -3.608 1.00 0.00 O ATOM 135 CB ILE A 9 -2.890 5.466 -2.214 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.894 3.955 -1.915 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.222 6.247 -0.930 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.651 3.509 -1.138 1.00 0.00 C ATOM 0 H ILE A 9 -2.621 5.368 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.880 5.461 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.899 5.748 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.787 3.703 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.951 3.402 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.492 6.005 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.190 7.317 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.219 5.973 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.703 2.436 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.758 3.734 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.607 4.039 -0.187 1.00 0.00 H new ATOM 150 N ASP A 10 -5.199 7.794 -3.864 1.00 0.00 N ATOM 151 CA ASP A 10 -5.429 9.178 -4.240 1.00 0.00 C ATOM 152 C ASP A 10 -5.897 9.973 -3.023 1.00 0.00 C ATOM 153 O ASP A 10 -6.503 9.425 -2.100 1.00 0.00 O ATOM 154 CB ASP A 10 -6.429 9.239 -5.399 1.00 0.00 C ATOM 155 CG ASP A 10 -5.923 8.449 -6.605 1.00 0.00 C ATOM 156 OD1 ASP A 10 -5.109 9.023 -7.359 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.353 7.283 -6.747 1.00 0.00 O ATOM 0 H ASP A 10 -6.051 7.236 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.501 9.633 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.390 8.839 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.596 10.277 -5.685 1.00 0.00 H new ATOM 162 N GLY A 11 -5.590 11.274 -3.030 1.00 0.00 N ATOM 163 CA GLY A 11 -5.911 12.194 -1.953 1.00 0.00 C ATOM 164 C GLY A 11 -4.854 12.181 -0.848 1.00 0.00 C ATOM 165 O GLY A 11 -5.199 12.353 0.320 1.00 0.00 O ATOM 0 H GLY A 11 -5.100 11.719 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.002 13.203 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.880 11.931 -1.529 1.00 0.00 H new ATOM 169 N MET A 12 -3.572 12.009 -1.204 1.00 0.00 N ATOM 170 CA MET A 12 -2.475 12.195 -0.264 1.00 0.00 C ATOM 171 C MET A 12 -2.211 13.697 -0.137 1.00 0.00 C ATOM 172 O MET A 12 -2.151 14.400 -1.145 1.00 0.00 O ATOM 173 CB MET A 12 -1.197 11.495 -0.736 1.00 0.00 C ATOM 174 CG MET A 12 -1.277 9.973 -0.865 1.00 0.00 C ATOM 175 SD MET A 12 0.380 9.253 -1.049 1.00 0.00 S ATOM 176 CE MET A 12 0.002 7.655 -1.796 1.00 0.00 C ATOM 0 H MET A 12 -3.277 11.740 -2.143 1.00 0.00 H new ATOM 0 HA MET A 12 -2.754 11.758 0.695 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.916 11.908 -1.705 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.394 11.740 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.765 9.554 0.015 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.891 9.708 -1.726 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.926 7.181 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.490 7.017 -1.062 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.658 7.800 -2.651 1.00 0.00 H new ATOM 186 N THR A 13 -2.058 14.185 1.097 1.00 0.00 N ATOM 187 CA THR A 13 -1.926 15.606 1.387 1.00 0.00 C ATOM 188 C THR A 13 -0.474 16.057 1.222 1.00 0.00 C ATOM 189 O THR A 13 -0.213 17.039 0.531 1.00 0.00 O ATOM 190 CB THR A 13 -2.444 15.888 2.807 1.00 0.00 C ATOM 191 OG1 THR A 13 -3.731 15.328 2.964 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.517 17.391 3.092 1.00 0.00 C ATOM 0 H THR A 13 -2.023 13.594 1.928 1.00 0.00 H new ATOM 0 HA THR A 13 -2.526 16.178 0.679 1.00 0.00 H new ATOM 0 HB THR A 13 -1.745 15.437 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.058 15.508 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.887 17.552 4.105 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.523 17.828 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.193 17.864 2.379 1.00 0.00 H new ATOM 200 N CYS A 14 0.466 15.351 1.863 1.00 0.00 N ATOM 201 CA CYS A 14 1.879 15.719 1.884 1.00 0.00 C ATOM 202 C CYS A 14 2.725 14.498 2.276 1.00 0.00 C ATOM 203 O CYS A 14 2.207 13.387 2.394 1.00 0.00 O ATOM 204 CB CYS A 14 2.092 16.900 2.848 1.00 0.00 C ATOM 205 SG CYS A 14 1.918 16.408 4.575 1.00 0.00 S ATOM 0 H CYS A 14 0.260 14.500 2.386 1.00 0.00 H new ATOM 0 HA CYS A 14 2.198 16.039 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.085 17.321 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.372 17.686 2.621 1.00 0.00 H new ATOM 210 N ASN A 15 4.030 14.717 2.480 1.00 0.00 N ATOM 211 CA ASN A 15 5.017 13.694 2.813 1.00 0.00 C ATOM 212 C ASN A 15 4.658 12.869 4.055 1.00 0.00 C ATOM 213 O ASN A 15 4.997 11.689 4.118 1.00 0.00 O ATOM 214 CB ASN A 15 6.401 14.339 2.974 1.00 0.00 C ATOM 215 CG ASN A 15 6.480 15.264 4.190 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.857 14.832 5.277 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.126 16.538 4.015 1.00 0.00 N ATOM 0 H ASN A 15 4.438 15.649 2.414 1.00 0.00 H new ATOM 0 HA ASN A 15 5.028 12.989 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.154 13.556 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.641 14.906 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.163 17.190 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.818 16.860 3.098 1.00 0.00 H new ATOM 224 N SER A 16 3.983 13.471 5.043 1.00 0.00 N ATOM 225 CA SER A 16 3.586 12.774 6.259 1.00 0.00 C ATOM 226 C SER A 16 2.684 11.582 5.935 1.00 0.00 C ATOM 227 O SER A 16 2.846 10.517 6.527 1.00 0.00 O ATOM 228 CB SER A 16 2.911 13.738 7.240 1.00 0.00 C ATOM 229 OG SER A 16 1.675 14.193 6.732 1.00 0.00 O ATOM 0 H SER A 16 3.701 14.451 5.016 1.00 0.00 H new ATOM 0 HA SER A 16 4.483 12.385 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.754 13.239 8.196 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.566 14.589 7.429 1.00 0.00 H new ATOM 235 N CYS A 17 1.750 11.755 4.990 1.00 0.00 N ATOM 236 CA CYS A 17 0.855 10.692 4.559 1.00 0.00 C ATOM 237 C CYS A 17 1.655 9.551 3.941 1.00 0.00 C ATOM 238 O CYS A 17 1.462 8.404 4.328 1.00 0.00 O ATOM 239 CB CYS A 17 -0.183 11.213 3.565 1.00 0.00 C ATOM 240 SG CYS A 17 -1.217 12.571 4.162 1.00 0.00 S ATOM 0 H CYS A 17 1.600 12.641 4.507 1.00 0.00 H new ATOM 0 HA CYS A 17 0.323 10.320 5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.335 11.542 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.831 10.386 3.276 1.00 0.00 H new ATOM 245 N VAL A 18 2.557 9.865 2.999 1.00 0.00 N ATOM 246 CA VAL A 18 3.435 8.890 2.358 1.00 0.00 C ATOM 247 C VAL A 18 4.134 8.040 3.422 1.00 0.00 C ATOM 248 O VAL A 18 4.080 6.812 3.364 1.00 0.00 O ATOM 249 CB VAL A 18 4.449 9.606 1.442 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.494 8.638 0.873 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.737 10.297 0.274 1.00 0.00 C ATOM 0 H VAL A 18 2.694 10.817 2.661 1.00 0.00 H new ATOM 0 HA VAL A 18 2.842 8.223 1.733 1.00 0.00 H new ATOM 0 HB VAL A 18 4.955 10.346 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.187 9.185 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.044 8.174 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.994 7.866 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.473 10.795 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.197 9.554 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.034 11.034 0.661 1.00 0.00 H new ATOM 261 N GLN A 19 4.770 8.704 4.396 1.00 0.00 N ATOM 262 CA GLN A 19 5.504 8.059 5.474 1.00 0.00 C ATOM 263 C GLN A 19 4.591 7.185 6.343 1.00 0.00 C ATOM 264 O GLN A 19 4.976 6.075 6.708 1.00 0.00 O ATOM 265 CB GLN A 19 6.229 9.127 6.306 1.00 0.00 C ATOM 266 CG GLN A 19 7.093 8.539 7.431 1.00 0.00 C ATOM 267 CD GLN A 19 8.197 7.620 6.908 1.00 0.00 C ATOM 268 OE1 GLN A 19 9.309 8.070 6.648 1.00 0.00 O ATOM 269 NE2 GLN A 19 7.896 6.328 6.755 1.00 0.00 N ATOM 0 H GLN A 19 4.784 9.722 4.451 1.00 0.00 H new ATOM 0 HA GLN A 19 6.245 7.387 5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.860 9.724 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.491 9.802 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.542 9.352 8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.457 7.981 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.960 5.992 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.602 5.677 6.411 1.00 0.00 H new ATOM 278 N SER A 20 3.393 7.676 6.680 1.00 0.00 N ATOM 279 CA SER A 20 2.436 6.949 7.505 1.00 0.00 C ATOM 280 C SER A 20 1.969 5.672 6.805 1.00 0.00 C ATOM 281 O SER A 20 1.974 4.603 7.410 1.00 0.00 O ATOM 282 CB SER A 20 1.241 7.844 7.849 1.00 0.00 C ATOM 283 OG SER A 20 1.665 8.971 8.586 1.00 0.00 O ATOM 0 H SER A 20 3.063 8.595 6.384 1.00 0.00 H new ATOM 0 HA SER A 20 2.933 6.662 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.745 8.166 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.509 7.278 8.426 1.00 0.00 H new ATOM 0 HG SER A 20 2.091 9.615 7.983 1.00 0.00 H new ATOM 289 N ILE A 21 1.569 5.790 5.534 1.00 0.00 N ATOM 290 CA ILE A 21 1.078 4.695 4.708 1.00 0.00 C ATOM 291 C ILE A 21 2.121 3.574 4.678 1.00 0.00 C ATOM 292 O ILE A 21 1.814 2.452 5.079 1.00 0.00 O ATOM 293 CB ILE A 21 0.722 5.238 3.307 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.518 6.152 3.393 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.453 4.124 2.281 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.657 7.054 2.164 1.00 0.00 C ATOM 0 H ILE A 21 1.581 6.683 5.041 1.00 0.00 H new ATOM 0 HA ILE A 21 0.167 4.265 5.124 1.00 0.00 H new ATOM 0 HB ILE A 21 1.591 5.799 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.413 5.539 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.451 6.769 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.208 4.569 1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.342 3.501 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.382 3.511 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.544 7.679 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.225 7.688 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.752 6.438 1.270 1.00 0.00 H new ATOM 308 N GLU A 22 3.347 3.868 4.220 1.00 0.00 N ATOM 309 CA GLU A 22 4.394 2.855 4.146 1.00 0.00 C ATOM 310 C GLU A 22 4.720 2.292 5.531 1.00 0.00 C ATOM 311 O GLU A 22 4.858 1.080 5.678 1.00 0.00 O ATOM 312 CB GLU A 22 5.637 3.367 3.400 1.00 0.00 C ATOM 313 CG GLU A 22 6.404 4.463 4.144 1.00 0.00 C ATOM 314 CD GLU A 22 7.486 5.091 3.271 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.108 5.711 2.253 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.672 4.945 3.639 1.00 0.00 O ATOM 0 H GLU A 22 3.630 4.794 3.899 1.00 0.00 H new ATOM 0 HA GLU A 22 4.011 2.024 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.309 2.528 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.331 3.749 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.708 5.235 4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.859 4.043 5.041 1.00 0.00 H new ATOM 323 N GLY A 23 4.827 3.167 6.541 1.00 0.00 N ATOM 324 CA GLY A 23 5.155 2.804 7.910 1.00 0.00 C ATOM 325 C GLY A 23 4.202 1.746 8.463 1.00 0.00 C ATOM 326 O GLY A 23 4.649 0.700 8.927 1.00 0.00 O ATOM 0 H GLY A 23 4.683 4.169 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.177 2.428 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.116 3.692 8.540 1.00 0.00 H new ATOM 330 N VAL A 24 2.893 2.019 8.407 1.00 0.00 N ATOM 331 CA VAL A 24 1.851 1.116 8.877 1.00 0.00 C ATOM 332 C VAL A 24 1.915 -0.211 8.117 1.00 0.00 C ATOM 333 O VAL A 24 1.942 -1.274 8.735 1.00 0.00 O ATOM 334 CB VAL A 24 0.474 1.796 8.744 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.677 0.806 8.977 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.346 2.929 9.772 1.00 0.00 C ATOM 0 H VAL A 24 2.528 2.892 8.026 1.00 0.00 H new ATOM 0 HA VAL A 24 2.010 0.890 9.931 1.00 0.00 H new ATOM 0 HB VAL A 24 0.406 2.185 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.630 1.325 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.620 0.003 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.599 0.387 9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.630 3.404 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.448 2.521 10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.129 3.668 9.599 1.00 0.00 H new ATOM 346 N ILE A 25 1.934 -0.152 6.780 1.00 0.00 N ATOM 347 CA ILE A 25 1.888 -1.341 5.940 1.00 0.00 C ATOM 348 C ILE A 25 3.113 -2.240 6.156 1.00 0.00 C ATOM 349 O ILE A 25 2.980 -3.460 6.088 1.00 0.00 O ATOM 350 CB ILE A 25 1.665 -0.944 4.472 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.291 -0.281 4.262 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.802 -2.150 3.536 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.916 -1.225 4.362 1.00 0.00 C ATOM 0 H ILE A 25 1.982 0.722 6.257 1.00 0.00 H new ATOM 0 HA ILE A 25 1.034 -1.951 6.236 1.00 0.00 H new ATOM 0 HB ILE A 25 2.441 -0.219 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.173 0.513 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.281 0.192 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.638 -1.832 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.803 -2.572 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.063 -2.905 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.834 -0.660 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.831 -2.006 3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.941 -1.680 5.352 1.00 0.00 H new ATOM 365 N SER A 26 4.289 -1.666 6.446 1.00 0.00 N ATOM 366 CA SER A 26 5.491 -2.434 6.764 1.00 0.00 C ATOM 367 C SER A 26 5.300 -3.386 7.954 1.00 0.00 C ATOM 368 O SER A 26 6.058 -4.346 8.079 1.00 0.00 O ATOM 369 CB SER A 26 6.675 -1.497 7.027 1.00 0.00 C ATOM 370 OG SER A 26 6.989 -0.752 5.870 1.00 0.00 O ATOM 0 H SER A 26 4.429 -0.656 6.466 1.00 0.00 H new ATOM 0 HA SER A 26 5.700 -3.053 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.434 -0.820 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.543 -2.078 7.338 1.00 0.00 H new ATOM 0 HG SER A 26 6.302 -0.068 5.725 1.00 0.00 H new ATOM 376 N LYS A 27 4.304 -3.142 8.819 1.00 0.00 N ATOM 377 CA LYS A 27 4.040 -3.971 9.991 1.00 0.00 C ATOM 378 C LYS A 27 3.082 -5.123 9.665 1.00 0.00 C ATOM 379 O LYS A 27 2.966 -6.051 10.463 1.00 0.00 O ATOM 380 CB LYS A 27 3.458 -3.117 11.128 1.00 0.00 C ATOM 381 CG LYS A 27 4.223 -1.815 11.405 1.00 0.00 C ATOM 382 CD LYS A 27 5.706 -2.045 11.725 1.00 0.00 C ATOM 383 CE LYS A 27 6.444 -0.720 11.943 1.00 0.00 C ATOM 384 NZ LYS A 27 5.941 0.009 13.120 1.00 0.00 N ATOM 0 H LYS A 27 3.659 -2.358 8.719 1.00 0.00 H new ATOM 0 HA LYS A 27 4.990 -4.401 10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.424 -2.871 10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.440 -3.713 12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.142 -1.161 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.754 -1.295 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.795 -2.664 12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.175 -2.594 10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.509 -0.915 12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.335 -0.095 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.563 0.818 13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.978 0.352 12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.926 -0.627 13.942 1.00 0.00 H new ATOM 398 N LYS A 28 2.397 -5.081 8.513 1.00 0.00 N ATOM 399 CA LYS A 28 1.470 -6.131 8.113 1.00 0.00 C ATOM 400 C LYS A 28 2.266 -7.389 7.742 1.00 0.00 C ATOM 401 O LYS A 28 3.260 -7.287 7.021 1.00 0.00 O ATOM 402 CB LYS A 28 0.615 -5.670 6.925 1.00 0.00 C ATOM 403 CG LYS A 28 -0.202 -4.402 7.207 1.00 0.00 C ATOM 404 CD LYS A 28 -1.365 -4.645 8.174 1.00 0.00 C ATOM 405 CE LYS A 28 -2.174 -3.355 8.329 1.00 0.00 C ATOM 406 NZ LYS A 28 -3.328 -3.548 9.221 1.00 0.00 N ATOM 0 H LYS A 28 2.475 -4.318 7.840 1.00 0.00 H new ATOM 0 HA LYS A 28 0.800 -6.356 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.266 -5.489 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.065 -6.474 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.455 -3.637 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.593 -4.011 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.003 -5.445 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.985 -4.968 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.533 -2.568 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.520 -3.021 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.855 -2.655 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.951 -4.282 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.995 -3.843 10.161 1.00 0.00 H new ATOM 420 N PRO A 29 1.857 -8.576 8.217 1.00 0.00 N ATOM 421 CA PRO A 29 2.588 -9.808 7.977 1.00 0.00 C ATOM 422 C PRO A 29 2.548 -10.145 6.487 1.00 0.00 C ATOM 423 O PRO A 29 1.521 -9.965 5.836 1.00 0.00 O ATOM 424 CB PRO A 29 1.894 -10.870 8.834 1.00 0.00 C ATOM 425 CG PRO A 29 0.457 -10.359 8.924 1.00 0.00 C ATOM 426 CD PRO A 29 0.641 -8.842 8.970 1.00 0.00 C ATOM 0 HA PRO A 29 3.642 -9.737 8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.943 -11.856 8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.353 -10.957 9.819 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.137 -10.669 8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.050 -10.732 9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.214 -8.329 8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.730 -8.488 9.997 1.00 0.00 H new ATOM 434 N GLY A 30 3.678 -10.615 5.951 1.00 0.00 N ATOM 435 CA GLY A 30 3.827 -10.919 4.539 1.00 0.00 C ATOM 436 C GLY A 30 4.533 -9.800 3.781 1.00 0.00 C ATOM 437 O GLY A 30 5.238 -10.094 2.818 1.00 0.00 O ATOM 0 H GLY A 30 4.520 -10.795 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.391 -11.845 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.844 -11.089 4.100 1.00 0.00 H new ATOM 441 N VAL A 31 4.347 -8.534 4.189 1.00 0.00 N ATOM 442 CA VAL A 31 4.936 -7.390 3.502 1.00 0.00 C ATOM 443 C VAL A 31 6.459 -7.423 3.632 1.00 0.00 C ATOM 444 O VAL A 31 6.982 -7.691 4.712 1.00 0.00 O ATOM 445 CB VAL A 31 4.346 -6.071 4.032 1.00 0.00 C ATOM 446 CG1 VAL A 31 5.012 -4.859 3.366 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.839 -6.028 3.751 1.00 0.00 C ATOM 0 H VAL A 31 3.785 -8.283 5.002 1.00 0.00 H new ATOM 0 HA VAL A 31 4.690 -7.450 2.442 1.00 0.00 H new ATOM 0 HB VAL A 31 4.531 -6.027 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.575 -3.942 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.082 -4.871 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.853 -4.903 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.425 -5.093 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.667 -6.094 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.352 -6.867 4.249 1.00 0.00 H new ATOM 457 N LYS A 32 7.154 -7.147 2.521 1.00 0.00 N ATOM 458 CA LYS A 32 8.606 -7.079 2.453 1.00 0.00 C ATOM 459 C LYS A 32 9.011 -5.651 2.081 1.00 0.00 C ATOM 460 O LYS A 32 9.086 -4.798 2.964 1.00 0.00 O ATOM 461 CB LYS A 32 9.136 -8.153 1.488 1.00 0.00 C ATOM 462 CG LYS A 32 8.774 -9.553 2.002 1.00 0.00 C ATOM 463 CD LYS A 32 9.437 -10.650 1.165 1.00 0.00 C ATOM 464 CE LYS A 32 9.013 -12.028 1.687 1.00 0.00 C ATOM 465 NZ LYS A 32 9.711 -13.113 0.978 1.00 0.00 N ATOM 0 H LYS A 32 6.703 -6.961 1.625 1.00 0.00 H new ATOM 0 HA LYS A 32 9.061 -7.300 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.712 -8.001 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.218 -8.062 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.084 -9.651 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.692 -9.681 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.152 -10.544 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.521 -10.551 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.225 -12.095 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.936 -12.148 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.183 -14.001 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.776 -12.881 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.668 -13.225 1.370 1.00 0.00 H new ATOM 479 N SER A 33 9.266 -5.379 0.795 1.00 0.00 N ATOM 480 CA SER A 33 9.625 -4.053 0.310 1.00 0.00 C ATOM 481 C SER A 33 8.362 -3.281 -0.078 1.00 0.00 C ATOM 482 O SER A 33 7.374 -3.873 -0.513 1.00 0.00 O ATOM 483 CB SER A 33 10.604 -4.182 -0.861 1.00 0.00 C ATOM 484 OG SER A 33 10.055 -4.996 -1.874 1.00 0.00 O ATOM 0 H SER A 33 9.227 -6.085 0.060 1.00 0.00 H new ATOM 0 HA SER A 33 10.123 -3.489 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.832 -3.195 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.544 -4.609 -0.512 1.00 0.00 H new ATOM 0 HG SER A 33 10.691 -5.068 -2.616 1.00 0.00 H new ATOM 490 N ILE A 34 8.395 -1.955 0.095 1.00 0.00 N ATOM 491 CA ILE A 34 7.262 -1.076 -0.157 1.00 0.00 C ATOM 492 C ILE A 34 7.755 0.309 -0.580 1.00 0.00 C ATOM 493 O ILE A 34 8.643 0.870 0.060 1.00 0.00 O ATOM 494 CB ILE A 34 6.336 -1.031 1.074 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.233 0.015 0.849 1.00 0.00 C ATOM 496 CG2 ILE A 34 7.092 -0.748 2.383 1.00 0.00 C ATOM 497 CD1 ILE A 34 4.038 -0.193 1.779 1.00 0.00 C ATOM 0 H ILE A 34 9.226 -1.461 0.419 1.00 0.00 H new ATOM 0 HA ILE A 34 6.669 -1.469 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 34 5.892 -2.020 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.644 1.012 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.897 -0.032 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.387 -0.728 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.831 -1.531 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.595 0.216 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.286 0.571 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.608 -1.179 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.367 -0.119 2.816 1.00 0.00 H new ATOM 509 N ARG A 35 7.180 0.846 -1.666 1.00 0.00 N ATOM 510 CA ARG A 35 7.476 2.174 -2.191 1.00 0.00 C ATOM 511 C ARG A 35 6.157 2.931 -2.369 1.00 0.00 C ATOM 512 O ARG A 35 5.375 2.588 -3.253 1.00 0.00 O ATOM 513 CB ARG A 35 8.212 2.080 -3.539 1.00 0.00 C ATOM 514 CG ARG A 35 9.673 1.607 -3.455 1.00 0.00 C ATOM 515 CD ARG A 35 9.857 0.088 -3.345 1.00 0.00 C ATOM 516 NE ARG A 35 9.226 -0.621 -4.466 1.00 0.00 N ATOM 517 CZ ARG A 35 8.804 -1.897 -4.454 1.00 0.00 C ATOM 518 NH1 ARG A 35 8.814 -2.623 -3.328 1.00 0.00 N ATOM 519 NH2 ARG A 35 8.373 -2.453 -5.593 1.00 0.00 N ATOM 0 H ARG A 35 6.478 0.349 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 35 8.124 2.702 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.663 1.398 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.191 3.060 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.205 1.959 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.143 2.078 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.921 -0.148 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.429 -0.263 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 35 9.096 -0.098 -5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.146 -2.209 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.489 -3.590 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.368 -1.909 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.050 -3.421 -5.598 1.00 0.00 H new ATOM 533 N VAL A 36 5.918 3.956 -1.539 1.00 0.00 N ATOM 534 CA VAL A 36 4.745 4.823 -1.616 1.00 0.00 C ATOM 535 C VAL A 36 5.164 6.182 -2.184 1.00 0.00 C ATOM 536 O VAL A 36 6.269 6.649 -1.910 1.00 0.00 O ATOM 537 CB VAL A 36 4.091 4.942 -0.228 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.841 5.832 -0.249 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.666 3.560 0.282 1.00 0.00 C ATOM 0 H VAL A 36 6.552 4.207 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 36 3.998 4.397 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 36 4.839 5.389 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.415 5.885 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.113 6.834 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.105 5.410 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.205 3.661 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.949 3.121 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.541 2.915 0.356 1.00 0.00 H new ATOM 549 N SER A 37 4.287 6.805 -2.983 1.00 0.00 N ATOM 550 CA SER A 37 4.561 8.062 -3.665 1.00 0.00 C ATOM 551 C SER A 37 3.295 8.916 -3.749 1.00 0.00 C ATOM 552 O SER A 37 2.244 8.429 -4.161 1.00 0.00 O ATOM 553 CB SER A 37 5.098 7.760 -5.068 1.00 0.00 C ATOM 554 OG SER A 37 5.262 8.951 -5.812 1.00 0.00 O ATOM 0 H SER A 37 3.354 6.438 -3.172 1.00 0.00 H new ATOM 0 HA SER A 37 5.306 8.624 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.053 7.239 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.411 7.093 -5.589 1.00 0.00 H new ATOM 0 HG SER A 37 6.217 9.132 -5.934 1.00 0.00 H new ATOM 560 N LEU A 38 3.423 10.197 -3.379 1.00 0.00 N ATOM 561 CA LEU A 38 2.408 11.224 -3.577 1.00 0.00 C ATOM 562 C LEU A 38 2.365 11.624 -5.051 1.00 0.00 C ATOM 563 O LEU A 38 1.284 11.722 -5.628 1.00 0.00 O ATOM 564 CB LEU A 38 2.709 12.416 -2.659 1.00 0.00 C ATOM 565 CG LEU A 38 1.629 13.511 -2.712 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.502 14.160 -1.330 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.959 14.600 -3.741 1.00 0.00 C ATOM 0 H LEU A 38 4.263 10.551 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 38 1.421 10.843 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.807 12.061 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.670 12.848 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 38 0.693 13.038 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.738 14.937 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.220 13.404 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.457 14.602 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.169 15.351 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.907 15.071 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.037 14.153 -4.732 1.00 0.00 H new ATOM 579 N ALA A 39 3.541 11.846 -5.654 1.00 0.00 N ATOM 580 CA ALA A 39 3.687 12.237 -7.050 1.00 0.00 C ATOM 581 C ALA A 39 2.929 11.287 -7.980 1.00 0.00 C ATOM 582 O ALA A 39 2.199 11.740 -8.859 1.00 0.00 O ATOM 583 CB ALA A 39 5.173 12.291 -7.415 1.00 0.00 C ATOM 0 H ALA A 39 4.433 11.755 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 39 3.252 13.228 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.281 12.584 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.677 13.020 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.620 11.308 -7.266 1.00 0.00 H new ATOM 589 N ASN A 40 3.093 9.975 -7.770 1.00 0.00 N ATOM 590 CA ASN A 40 2.398 8.946 -8.535 1.00 0.00 C ATOM 591 C ASN A 40 1.056 8.571 -7.892 1.00 0.00 C ATOM 592 O ASN A 40 0.265 7.871 -8.523 1.00 0.00 O ATOM 593 CB ASN A 40 3.294 7.710 -8.676 1.00 0.00 C ATOM 594 CG ASN A 40 4.590 8.015 -9.425 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.654 7.868 -10.643 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.629 8.437 -8.701 1.00 0.00 N ATOM 0 H ASN A 40 3.718 9.600 -7.057 1.00 0.00 H new ATOM 0 HA ASN A 40 2.181 9.347 -9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.532 7.322 -7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.749 6.927 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.516 8.650 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.536 8.547 -7.691 1.00 0.00 H new ATOM 603 N SER A 41 0.793 9.028 -6.657 1.00 0.00 N ATOM 604 CA SER A 41 -0.430 8.774 -5.904 1.00 0.00 C ATOM 605 C SER A 41 -0.713 7.273 -5.830 1.00 0.00 C ATOM 606 O SER A 41 -1.784 6.815 -6.228 1.00 0.00 O ATOM 607 CB SER A 41 -1.598 9.574 -6.498 1.00 0.00 C ATOM 608 OG SER A 41 -1.367 10.959 -6.341 1.00 0.00 O ATOM 0 H SER A 41 1.457 9.606 -6.142 1.00 0.00 H new ATOM 0 HA SER A 41 -0.301 9.118 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.713 9.334 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.529 9.294 -6.005 1.00 0.00 H new ATOM 0 HG SER A 41 -0.443 11.106 -6.049 1.00 0.00 H new ATOM 614 N ASN A 42 0.262 6.506 -5.328 1.00 0.00 N ATOM 615 CA ASN A 42 0.174 5.055 -5.287 1.00 0.00 C ATOM 616 C ASN A 42 1.068 4.447 -4.209 1.00 0.00 C ATOM 617 O ASN A 42 1.908 5.128 -3.622 1.00 0.00 O ATOM 618 CB ASN A 42 0.452 4.454 -6.677 1.00 0.00 C ATOM 619 CG ASN A 42 1.896 4.619 -7.157 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.733 5.214 -6.485 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.193 4.081 -8.341 1.00 0.00 N ATOM 0 H ASN A 42 1.129 6.880 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.848 4.796 -5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.207 3.392 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.215 4.921 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.140 4.158 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.473 3.593 -8.874 1.00 0.00 H new ATOM 628 N GLY A 43 0.861 3.147 -3.976 1.00 0.00 N ATOM 629 CA GLY A 43 1.623 2.305 -3.076 1.00 0.00 C ATOM 630 C GLY A 43 1.956 1.006 -3.800 1.00 0.00 C ATOM 631 O GLY A 43 1.062 0.206 -4.068 1.00 0.00 O ATOM 0 H GLY A 43 0.112 2.634 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.537 2.811 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.050 2.099 -2.172 1.00 0.00 H new ATOM 635 N THR A 44 3.242 0.805 -4.106 1.00 0.00 N ATOM 636 CA THR A 44 3.753 -0.378 -4.779 1.00 0.00 C ATOM 637 C THR A 44 4.325 -1.287 -3.695 1.00 0.00 C ATOM 638 O THR A 44 5.444 -1.073 -3.227 1.00 0.00 O ATOM 639 CB THR A 44 4.810 0.029 -5.816 1.00 0.00 C ATOM 640 OG1 THR A 44 4.251 0.961 -6.719 1.00 0.00 O ATOM 641 CG2 THR A 44 5.308 -1.191 -6.598 1.00 0.00 C ATOM 0 H THR A 44 3.970 1.483 -3.883 1.00 0.00 H new ATOM 0 HA THR A 44 2.973 -0.908 -5.325 1.00 0.00 H new ATOM 0 HB THR A 44 5.653 0.475 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.926 1.222 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.056 -0.876 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.753 -1.909 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.470 -1.657 -7.117 1.00 0.00 H new ATOM 649 N VAL A 45 3.527 -2.280 -3.287 1.00 0.00 N ATOM 650 CA VAL A 45 3.799 -3.135 -2.142 1.00 0.00 C ATOM 651 C VAL A 45 4.139 -4.540 -2.632 1.00 0.00 C ATOM 652 O VAL A 45 3.367 -5.114 -3.398 1.00 0.00 O ATOM 653 CB VAL A 45 2.565 -3.180 -1.220 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.930 -3.865 0.104 1.00 0.00 C ATOM 655 CG2 VAL A 45 2.001 -1.780 -0.941 1.00 0.00 C ATOM 0 H VAL A 45 2.654 -2.511 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 45 4.643 -2.736 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 45 1.792 -3.750 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.054 -3.894 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.269 -4.882 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.726 -3.306 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.133 -1.861 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.764 -1.170 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.705 -1.313 -1.880 1.00 0.00 H new ATOM 665 N GLU A 46 5.273 -5.088 -2.177 1.00 0.00 N ATOM 666 CA GLU A 46 5.631 -6.488 -2.363 1.00 0.00 C ATOM 667 C GLU A 46 5.266 -7.232 -1.080 1.00 0.00 C ATOM 668 O GLU A 46 5.621 -6.788 0.012 1.00 0.00 O ATOM 669 CB GLU A 46 7.119 -6.632 -2.692 1.00 0.00 C ATOM 670 CG GLU A 46 7.411 -6.067 -4.086 1.00 0.00 C ATOM 671 CD GLU A 46 8.874 -6.241 -4.482 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.332 -7.404 -4.483 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.512 -5.207 -4.779 1.00 0.00 O ATOM 0 H GLU A 46 5.975 -4.557 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 46 5.085 -6.913 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.716 -6.107 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.408 -7.682 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.776 -6.565 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.153 -5.008 -4.109 1.00 0.00 H new ATOM 680 N TYR A 47 4.540 -8.347 -1.218 1.00 0.00 N ATOM 681 CA TYR A 47 3.926 -9.055 -0.105 1.00 0.00 C ATOM 682 C TYR A 47 3.826 -10.551 -0.397 1.00 0.00 C ATOM 683 O TYR A 47 3.930 -10.962 -1.551 1.00 0.00 O ATOM 684 CB TYR A 47 2.527 -8.475 0.151 1.00 0.00 C ATOM 685 CG TYR A 47 1.542 -8.783 -0.964 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.572 -8.038 -2.157 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.618 -9.835 -0.825 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.775 -8.424 -3.248 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.201 -10.200 -1.907 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.095 -9.518 -3.131 1.00 0.00 C ATOM 691 OH TYR A 47 -0.830 -9.918 -4.209 1.00 0.00 O ATOM 0 H TYR A 47 4.364 -8.784 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 47 4.548 -8.926 0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.141 -8.873 1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.604 -7.394 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.208 -7.169 -2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.538 -10.362 0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.832 -7.878 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.912 -11.005 -1.798 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.381 -10.690 -3.961 1.00 0.00 H new ATOM 701 N ASP A 48 3.601 -11.350 0.654 1.00 0.00 N ATOM 702 CA ASP A 48 3.332 -12.779 0.559 1.00 0.00 C ATOM 703 C ASP A 48 1.810 -13.012 0.565 1.00 0.00 C ATOM 704 O ASP A 48 1.174 -12.737 1.584 1.00 0.00 O ATOM 705 CB ASP A 48 4.011 -13.501 1.733 1.00 0.00 C ATOM 706 CG ASP A 48 3.988 -15.027 1.609 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.131 -15.549 0.863 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.840 -15.655 2.274 1.00 0.00 O ATOM 0 H ASP A 48 3.602 -11.006 1.614 1.00 0.00 H new ATOM 0 HA ASP A 48 3.736 -13.180 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.046 -13.166 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.517 -13.213 2.661 1.00 0.00 H new ATOM 713 N PRO A 49 1.223 -13.529 -0.534 1.00 0.00 N ATOM 714 CA PRO A 49 -0.181 -13.924 -0.627 1.00 0.00 C ATOM 715 C PRO A 49 -0.691 -14.748 0.557 1.00 0.00 C ATOM 716 O PRO A 49 -1.839 -14.592 0.968 1.00 0.00 O ATOM 717 CB PRO A 49 -0.299 -14.727 -1.923 1.00 0.00 C ATOM 718 CG PRO A 49 0.771 -14.093 -2.802 1.00 0.00 C ATOM 719 CD PRO A 49 1.885 -13.791 -1.803 1.00 0.00 C ATOM 0 HA PRO A 49 -0.802 -13.028 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.114 -15.789 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.291 -14.640 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.104 -14.771 -3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.410 -13.189 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.572 -14.633 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.473 -12.930 -2.122 1.00 0.00 H new ATOM 727 N LEU A 50 0.158 -15.633 1.092 1.00 0.00 N ATOM 728 CA LEU A 50 -0.201 -16.552 2.161 1.00 0.00 C ATOM 729 C LEU A 50 -0.568 -15.814 3.454 1.00 0.00 C ATOM 730 O LEU A 50 -1.412 -16.299 4.206 1.00 0.00 O ATOM 731 CB LEU A 50 0.953 -17.537 2.405 1.00 0.00 C ATOM 732 CG LEU A 50 1.356 -18.358 1.166 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.609 -19.177 1.494 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.236 -19.301 0.710 1.00 0.00 C ATOM 0 H LEU A 50 1.126 -15.727 0.785 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.088 -17.104 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.822 -16.981 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.668 -18.222 3.204 1.00 0.00 H new ATOM 0 HG LEU A 50 1.553 -17.662 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.901 -19.761 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.422 -18.504 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.397 -19.849 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.565 -19.860 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.004 -19.996 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.650 -18.718 0.457 1.00 0.00 H new ATOM 746 N LEU A 51 0.061 -14.660 3.719 1.00 0.00 N ATOM 747 CA LEU A 51 -0.116 -13.906 4.956 1.00 0.00 C ATOM 748 C LEU A 51 -1.088 -12.738 4.761 1.00 0.00 C ATOM 749 O LEU A 51 -1.910 -12.490 5.642 1.00 0.00 O ATOM 750 CB LEU A 51 1.238 -13.388 5.462 1.00 0.00 C ATOM 751 CG LEU A 51 2.158 -14.412 6.151 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.551 -14.975 7.442 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.580 -15.563 5.233 1.00 0.00 C ATOM 0 H LEU A 51 0.714 -14.223 3.068 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.541 -14.579 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.777 -12.962 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.050 -12.574 6.162 1.00 0.00 H new ATOM 0 HG LEU A 51 3.054 -13.846 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.242 -15.692 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.371 -14.161 8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.608 -15.473 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.227 -16.248 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.694 -16.098 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.119 -15.164 4.374 1.00 0.00 H new ATOM 765 N THR A 52 -0.997 -12.016 3.636 1.00 0.00 N ATOM 766 CA THR A 52 -1.846 -10.860 3.351 1.00 0.00 C ATOM 767 C THR A 52 -2.206 -10.821 1.864 1.00 0.00 C ATOM 768 O THR A 52 -1.659 -11.589 1.077 1.00 0.00 O ATOM 769 CB THR A 52 -1.158 -9.573 3.837 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.059 -8.486 3.797 1.00 0.00 O ATOM 771 CG2 THR A 52 0.084 -9.221 3.013 1.00 0.00 C ATOM 0 H THR A 52 -0.326 -12.222 2.896 1.00 0.00 H new ATOM 0 HA THR A 52 -2.785 -10.945 3.897 1.00 0.00 H new ATOM 0 HB THR A 52 -0.839 -9.762 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.607 -7.675 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.529 -8.304 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.808 -10.033 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.200 -9.075 1.971 1.00 0.00 H new ATOM 779 N SER A 53 -3.136 -9.934 1.487 1.00 0.00 N ATOM 780 CA SER A 53 -3.688 -9.841 0.140 1.00 0.00 C ATOM 781 C SER A 53 -3.830 -8.372 -0.278 1.00 0.00 C ATOM 782 O SER A 53 -3.859 -7.501 0.592 1.00 0.00 O ATOM 783 CB SER A 53 -5.050 -10.546 0.116 1.00 0.00 C ATOM 784 OG SER A 53 -6.011 -9.804 0.839 1.00 0.00 O ATOM 0 H SER A 53 -3.531 -9.247 2.129 1.00 0.00 H new ATOM 0 HA SER A 53 -3.016 -10.325 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.381 -10.672 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.956 -11.544 0.545 1.00 0.00 H new ATOM 0 HG SER A 53 -6.873 -10.269 0.810 1.00 0.00 H new ATOM 790 N PRO A 54 -3.946 -8.075 -1.586 1.00 0.00 N ATOM 791 CA PRO A 54 -4.257 -6.742 -2.086 1.00 0.00 C ATOM 792 C PRO A 54 -5.485 -6.138 -1.399 1.00 0.00 C ATOM 793 O PRO A 54 -5.491 -4.954 -1.077 1.00 0.00 O ATOM 794 CB PRO A 54 -4.484 -6.907 -3.592 1.00 0.00 C ATOM 795 CG PRO A 54 -3.632 -8.124 -3.934 1.00 0.00 C ATOM 796 CD PRO A 54 -3.822 -9.002 -2.701 1.00 0.00 C ATOM 0 HA PRO A 54 -3.443 -6.048 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.536 -7.072 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.168 -6.024 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.974 -8.618 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.586 -7.859 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.711 -9.625 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.975 -9.674 -2.562 1.00 0.00 H new ATOM 804 N GLU A 55 -6.513 -6.964 -1.168 1.00 0.00 N ATOM 805 CA GLU A 55 -7.753 -6.574 -0.514 1.00 0.00 C ATOM 806 C GLU A 55 -7.475 -6.086 0.911 1.00 0.00 C ATOM 807 O GLU A 55 -7.982 -5.039 1.306 1.00 0.00 O ATOM 808 CB GLU A 55 -8.742 -7.751 -0.499 1.00 0.00 C ATOM 809 CG GLU A 55 -9.305 -8.107 -1.885 1.00 0.00 C ATOM 810 CD GLU A 55 -8.255 -8.624 -2.866 1.00 0.00 C ATOM 811 OE1 GLU A 55 -7.454 -9.488 -2.446 1.00 0.00 O ATOM 812 OE2 GLU A 55 -8.267 -8.144 -4.020 1.00 0.00 O ATOM 0 H GLU A 55 -6.498 -7.947 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.200 -5.754 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.243 -8.627 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.570 -7.509 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.081 -8.863 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.782 -7.224 -2.310 1.00 0.00 H new ATOM 819 N THR A 56 -6.673 -6.838 1.676 1.00 0.00 N ATOM 820 CA THR A 56 -6.301 -6.486 3.042 1.00 0.00 C ATOM 821 C THR A 56 -5.549 -5.153 3.071 1.00 0.00 C ATOM 822 O THR A 56 -5.893 -4.261 3.846 1.00 0.00 O ATOM 823 CB THR A 56 -5.448 -7.609 3.652 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.084 -8.858 3.479 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.202 -7.382 5.147 1.00 0.00 C ATOM 0 H THR A 56 -6.263 -7.715 1.356 1.00 0.00 H new ATOM 0 HA THR A 56 -7.207 -6.370 3.637 1.00 0.00 H new ATOM 0 HB THR A 56 -4.489 -7.603 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.955 -9.166 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.595 -8.196 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.679 -6.437 5.290 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.157 -7.352 5.672 1.00 0.00 H new ATOM 833 N LEU A 57 -4.520 -5.029 2.224 1.00 0.00 N ATOM 834 CA LEU A 57 -3.663 -3.854 2.137 1.00 0.00 C ATOM 835 C LEU A 57 -4.494 -2.612 1.792 1.00 0.00 C ATOM 836 O LEU A 57 -4.410 -1.596 2.482 1.00 0.00 O ATOM 837 CB LEU A 57 -2.560 -4.111 1.097 1.00 0.00 C ATOM 838 CG LEU A 57 -1.601 -5.253 1.489 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.800 -5.705 0.262 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.623 -4.822 2.585 1.00 0.00 C ATOM 0 H LEU A 57 -4.259 -5.764 1.567 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.190 -3.666 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.023 -4.348 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.985 -3.196 0.955 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.209 -6.073 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.124 -6.512 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.484 -6.059 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.221 -4.866 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.035 -5.654 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.027 -3.981 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.180 -4.523 3.473 1.00 0.00 H new ATOM 852 N ARG A 58 -5.314 -2.706 0.737 1.00 0.00 N ATOM 853 CA ARG A 58 -6.261 -1.672 0.344 1.00 0.00 C ATOM 854 C ARG A 58 -7.165 -1.298 1.518 1.00 0.00 C ATOM 855 O ARG A 58 -7.322 -0.116 1.809 1.00 0.00 O ATOM 856 CB ARG A 58 -7.083 -2.154 -0.859 1.00 0.00 C ATOM 857 CG ARG A 58 -8.205 -1.163 -1.200 1.00 0.00 C ATOM 858 CD ARG A 58 -8.883 -1.492 -2.531 1.00 0.00 C ATOM 859 NE ARG A 58 -9.421 -2.858 -2.548 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.114 -3.391 -3.567 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.389 -2.669 -4.663 1.00 0.00 N ATOM 862 NH2 ARG A 58 -10.533 -4.660 -3.486 1.00 0.00 N ATOM 0 H ARG A 58 -5.333 -3.522 0.125 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.713 -0.776 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.430 -2.278 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.512 -3.132 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.949 -1.171 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.795 -0.154 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.690 -0.782 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.165 -1.374 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.257 -3.443 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.071 -1.702 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.916 -3.087 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.325 -5.214 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.060 -5.073 -4.255 1.00 0.00 H new ATOM 876 N GLY A 59 -7.752 -2.301 2.181 1.00 0.00 N ATOM 877 CA GLY A 59 -8.640 -2.128 3.319 1.00 0.00 C ATOM 878 C GLY A 59 -8.004 -1.274 4.416 1.00 0.00 C ATOM 879 O GLY A 59 -8.644 -0.362 4.934 1.00 0.00 O ATOM 0 H GLY A 59 -7.614 -3.279 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.567 -1.661 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.903 -3.105 3.726 1.00 0.00 H new ATOM 883 N ALA A 60 -6.744 -1.566 4.761 1.00 0.00 N ATOM 884 CA ALA A 60 -6.003 -0.829 5.774 1.00 0.00 C ATOM 885 C ALA A 60 -5.883 0.653 5.405 1.00 0.00 C ATOM 886 O ALA A 60 -6.210 1.514 6.218 1.00 0.00 O ATOM 887 CB ALA A 60 -4.627 -1.468 5.980 1.00 0.00 C ATOM 0 H ALA A 60 -6.212 -2.327 4.338 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.552 -0.880 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.077 -0.912 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.751 -2.501 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.072 -1.447 5.042 1.00 0.00 H new ATOM 893 N ILE A 61 -5.425 0.958 4.186 1.00 0.00 N ATOM 894 CA ILE A 61 -5.252 2.340 3.743 1.00 0.00 C ATOM 895 C ILE A 61 -6.597 3.067 3.618 1.00 0.00 C ATOM 896 O ILE A 61 -6.693 4.251 3.942 1.00 0.00 O ATOM 897 CB ILE A 61 -4.432 2.375 2.442 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.045 1.730 2.616 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.270 3.814 1.938 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.304 2.191 3.876 1.00 0.00 C ATOM 0 H ILE A 61 -5.167 0.260 3.488 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.690 2.885 4.501 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.986 1.794 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.160 0.647 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.435 1.960 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.687 3.814 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.253 4.245 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.755 4.408 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.335 1.694 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.157 3.270 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.892 1.937 4.758 1.00 0.00 H new ATOM 912 N GLU A 62 -7.639 2.366 3.164 1.00 0.00 N ATOM 913 CA GLU A 62 -8.989 2.900 3.092 1.00 0.00 C ATOM 914 C GLU A 62 -9.470 3.296 4.492 1.00 0.00 C ATOM 915 O GLU A 62 -10.044 4.370 4.662 1.00 0.00 O ATOM 916 CB GLU A 62 -9.906 1.869 2.423 1.00 0.00 C ATOM 917 CG GLU A 62 -11.295 2.442 2.131 1.00 0.00 C ATOM 918 CD GLU A 62 -12.136 1.440 1.348 1.00 0.00 C ATOM 919 OE1 GLU A 62 -12.069 1.491 0.100 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.827 0.635 2.010 1.00 0.00 O ATOM 0 H GLU A 62 -7.562 1.404 2.835 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.008 3.804 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.451 1.529 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.002 0.996 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.795 2.692 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.200 3.368 1.563 1.00 0.00 H new ATOM 927 N ASP A 63 -9.216 2.439 5.490 1.00 0.00 N ATOM 928 CA ASP A 63 -9.543 2.698 6.886 1.00 0.00 C ATOM 929 C ASP A 63 -8.777 3.913 7.423 1.00 0.00 C ATOM 930 O ASP A 63 -9.368 4.734 8.123 1.00 0.00 O ATOM 931 CB ASP A 63 -9.281 1.443 7.727 1.00 0.00 C ATOM 932 CG ASP A 63 -9.653 1.662 9.191 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.865 1.581 9.489 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.720 1.908 9.986 1.00 0.00 O ATOM 0 H ASP A 63 -8.770 1.534 5.341 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.604 2.940 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.856 0.608 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.228 1.169 7.655 1.00 0.00 H new ATOM 939 N MET A 64 -7.481 4.037 7.099 1.00 0.00 N ATOM 940 CA MET A 64 -6.681 5.205 7.467 1.00 0.00 C ATOM 941 C MET A 64 -7.319 6.488 6.923 1.00 0.00 C ATOM 942 O MET A 64 -7.421 7.470 7.656 1.00 0.00 O ATOM 943 CB MET A 64 -5.231 5.062 6.986 1.00 0.00 C ATOM 944 CG MET A 64 -4.462 4.011 7.796 1.00 0.00 C ATOM 945 SD MET A 64 -2.800 3.631 7.177 1.00 0.00 S ATOM 946 CE MET A 64 -1.953 5.192 7.526 1.00 0.00 C ATOM 0 H MET A 64 -6.963 3.330 6.576 1.00 0.00 H new ATOM 0 HA MET A 64 -6.660 5.270 8.555 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.224 4.785 5.932 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.725 6.024 7.066 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.379 4.357 8.826 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.045 3.091 7.815 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.898 5.099 7.269 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.402 5.990 6.934 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.048 5.429 8.586 1.00 0.00 H new ATOM 956 N GLY A 65 -7.761 6.468 5.658 1.00 0.00 N ATOM 957 CA GLY A 65 -8.577 7.524 5.072 1.00 0.00 C ATOM 958 C GLY A 65 -7.955 8.084 3.798 1.00 0.00 C ATOM 959 O GLY A 65 -7.620 9.266 3.745 1.00 0.00 O ATOM 0 H GLY A 65 -7.556 5.707 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.570 7.134 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.705 8.328 5.797 1.00 0.00 H new ATOM 963 N PHE A 66 -7.820 7.237 2.771 1.00 0.00 N ATOM 964 CA PHE A 66 -7.421 7.640 1.427 1.00 0.00 C ATOM 965 C PHE A 66 -8.241 6.847 0.411 1.00 0.00 C ATOM 966 O PHE A 66 -8.755 5.775 0.732 1.00 0.00 O ATOM 967 CB PHE A 66 -5.924 7.395 1.214 1.00 0.00 C ATOM 968 CG PHE A 66 -5.015 8.051 2.235 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.543 9.358 2.020 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.647 7.358 3.404 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.731 9.982 2.982 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.822 7.976 4.359 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.371 9.290 4.153 1.00 0.00 C ATOM 0 H PHE A 66 -7.989 6.235 2.857 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.607 8.706 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.742 6.320 1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.650 7.754 0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.805 9.883 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.999 6.350 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.383 10.992 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.535 7.440 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.748 9.769 4.893 1.00 0.00 H new ATOM 983 N ASP A 67 -8.355 7.364 -0.818 1.00 0.00 N ATOM 984 CA ASP A 67 -9.046 6.676 -1.899 1.00 0.00 C ATOM 985 C ASP A 67 -8.117 5.601 -2.464 1.00 0.00 C ATOM 986 O ASP A 67 -7.384 5.853 -3.417 1.00 0.00 O ATOM 987 CB ASP A 67 -9.490 7.688 -2.962 1.00 0.00 C ATOM 988 CG ASP A 67 -10.128 7.003 -4.171 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.116 6.268 -3.953 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.617 7.224 -5.290 1.00 0.00 O ATOM 0 H ASP A 67 -7.969 8.270 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.949 6.187 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.202 8.387 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.630 8.273 -3.288 1.00 0.00 H new ATOM 995 N ALA A 68 -8.159 4.409 -1.856 1.00 0.00 N ATOM 996 CA ALA A 68 -7.304 3.278 -2.181 1.00 0.00 C ATOM 997 C ALA A 68 -8.072 2.310 -3.080 1.00 0.00 C ATOM 998 O ALA A 68 -9.086 1.757 -2.658 1.00 0.00 O ATOM 999 CB ALA A 68 -6.865 2.597 -0.881 1.00 0.00 C ATOM 0 H ALA A 68 -8.813 4.206 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.415 3.610 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.223 1.747 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.315 3.309 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.744 2.250 -0.337 1.00 0.00 H new ATOM 1005 N THR A 69 -7.597 2.118 -4.318 1.00 0.00 N ATOM 1006 CA THR A 69 -8.212 1.251 -5.317 1.00 0.00 C ATOM 1007 C THR A 69 -7.119 0.475 -6.058 1.00 0.00 C ATOM 1008 O THR A 69 -6.119 1.056 -6.472 1.00 0.00 O ATOM 1009 CB THR A 69 -9.060 2.085 -6.292 1.00 0.00 C ATOM 1010 OG1 THR A 69 -8.277 3.098 -6.889 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.260 2.735 -5.594 1.00 0.00 C ATOM 0 H THR A 69 -6.751 2.577 -4.656 1.00 0.00 H new ATOM 0 HA THR A 69 -8.874 0.537 -4.826 1.00 0.00 H new ATOM 0 HB THR A 69 -9.429 1.400 -7.055 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.831 3.618 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.832 3.315 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.896 1.960 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.907 3.393 -4.800 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.298 -0.841 -6.225 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.311 -1.700 -6.869 1.00 0.00 C ATOM 1021 C LEU A 70 -6.203 -1.398 -8.364 1.00 0.00 C ATOM 1022 O LEU A 70 -7.199 -1.070 -9.007 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.692 -3.176 -6.687 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.814 -3.634 -5.228 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.214 -5.112 -5.188 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.509 -3.425 -4.459 1.00 0.00 C ATOM 0 H LEU A 70 -8.134 -1.336 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.348 -1.503 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.642 -3.356 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.945 -3.794 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.582 -3.029 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.301 -5.438 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.172 -5.243 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.454 -5.708 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.635 -3.761 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.712 -3.998 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.248 -2.367 -4.465 1.00 0.00 H new ATOM 1038 N SER A 71 -4.989 -1.527 -8.914 1.00 0.00 N ATOM 1039 CA SER A 71 -4.764 -1.503 -10.353 1.00 0.00 C ATOM 1040 C SER A 71 -5.265 -2.820 -10.952 1.00 0.00 C ATOM 1041 O SER A 71 -6.025 -2.820 -11.918 1.00 0.00 O ATOM 1042 CB SER A 71 -3.274 -1.290 -10.649 1.00 0.00 C ATOM 1043 OG SER A 71 -2.487 -2.294 -10.042 1.00 0.00 O ATOM 0 H SER A 71 -4.137 -1.651 -8.367 1.00 0.00 H new ATOM 0 HA SER A 71 -5.312 -0.677 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.109 -1.296 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.964 -0.311 -10.285 1.00 0.00 H new ATOM 0 HG SER A 71 -2.312 -2.053 -9.109 1.00 0.00 H new ATOM 1049 N ASP A 72 -4.827 -3.934 -10.354 1.00 0.00 N ATOM 1050 CA ASP A 72 -5.229 -5.291 -10.689 1.00 0.00 C ATOM 1051 C ASP A 72 -6.687 -5.545 -10.297 1.00 0.00 C ATOM 1052 O ASP A 72 -7.120 -4.975 -9.271 1.00 0.00 O ATOM 1053 CB ASP A 72 -4.288 -6.286 -9.994 1.00 0.00 C ATOM 1054 CG ASP A 72 -4.270 -6.120 -8.473 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -3.625 -5.151 -8.014 1.00 0.00 O ATOM 1056 OD2 ASP A 72 -4.895 -6.965 -7.795 1.00 0.00 O ATOM 1057 OXT ASP A 72 -7.343 -6.314 -11.032 1.00 0.00 O ATOM 0 H ASP A 72 -4.152 -3.905 -9.590 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.156 -5.428 -11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.595 -7.302 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.278 -6.155 -10.381 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 0.261 14.544 4.536 1.00 0.00 AG