USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, 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 NoAdj-H: A 14 CYS H : A 14 CYS N : A 73 AGAG :(H bumps) USER MOD Set 1.1: A 53 SER OG : rot -54:sc= 0.975 USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0.802 USER MOD Set 2.1: A 37 SER OG : rot -170:sc= 1.03 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.694 K(o=1.7,f=0.06) USER MOD Set 3.1: A 8 ASN : amide:sc= 0.0103 X(o=0.02,f=0.045) USER MOD Set 3.2: A 71 SER OG : rot -57:sc= 0.00981 USER MOD Set 4.1: A 1 LEU N :NH3+ -176:sc= 0.638 (180deg=0.627) USER MOD Set 4.2: A 32 LYS NZ :NH3+ 161:sc= 0.614 (180deg=0.321) USER MOD Single : A 2 THR OG1 : rot 39:sc= 0.462 USER MOD Single : A 3 GLN : amide:sc= 0.451 K(o=0.45,f=-0.12) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0 USER MOD Single : A 12 MET CE :methyl 179:sc= 0 (180deg=-0.000332) USER MOD Single : A 15 ASN : amide:sc=-0.00233 X(o=-0.0023,f=-0.0023) USER MOD Single : A 16 SER OG : rot 95:sc= 0.153 USER MOD Single : A 19 GLN : amide:sc= -0.718 X(o=-0.72,f=-0.95) USER MOD Single : A 20 SER OG : rot 77:sc= 0.449 USER MOD Single : A 26 SER OG : rot -77:sc= 0.609 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.561 (180deg=0.548) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0 (180deg=-1.26) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00118 USER MOD Single : A 41 SER OG : rot 10:sc= 0.851 USER MOD Single : A 42 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.3) 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 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.809 -16.717 -0.134 1.00 0.00 N ATOM 2 CA LEU A 1 6.207 -16.402 -1.442 1.00 0.00 C ATOM 3 C LEU A 1 6.174 -14.889 -1.668 1.00 0.00 C ATOM 4 O LEU A 1 5.867 -14.137 -0.746 1.00 0.00 O ATOM 5 CB LEU A 1 4.809 -17.031 -1.545 1.00 0.00 C ATOM 6 CG LEU A 1 4.097 -16.822 -2.894 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.883 -17.414 -4.071 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.722 -17.498 -2.837 1.00 0.00 C ATOM 0 H1 LEU A 1 6.885 -17.749 -0.026 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.756 -16.292 -0.076 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.211 -16.333 0.625 1.00 0.00 H new ATOM 0 HA LEU A 1 6.822 -16.832 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.895 -18.102 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.183 -16.619 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 1 4.010 -15.748 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.337 -17.239 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.862 -16.938 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.010 -18.486 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.207 -17.357 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.848 -18.564 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.131 -17.054 -2.035 1.00 0.00 H new ATOM 22 N THR A 2 6.504 -14.452 -2.889 1.00 0.00 N ATOM 23 CA THR A 2 6.583 -13.051 -3.276 1.00 0.00 C ATOM 24 C THR A 2 5.617 -12.782 -4.429 1.00 0.00 C ATOM 25 O THR A 2 5.813 -13.299 -5.528 1.00 0.00 O ATOM 26 CB THR A 2 8.021 -12.709 -3.694 1.00 0.00 C ATOM 27 OG1 THR A 2 8.480 -13.626 -4.667 1.00 0.00 O ATOM 28 CG2 THR A 2 8.972 -12.733 -2.496 1.00 0.00 C ATOM 0 H THR A 2 6.729 -15.088 -3.654 1.00 0.00 H new ATOM 0 HA THR A 2 6.305 -12.423 -2.429 1.00 0.00 H new ATOM 0 HB THR A 2 8.009 -11.702 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.752 -13.835 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.981 -12.487 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.644 -12.002 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.969 -13.727 -2.049 1.00 0.00 H new ATOM 36 N GLN A 3 4.592 -11.963 -4.175 1.00 0.00 N ATOM 37 CA GLN A 3 3.698 -11.406 -5.181 1.00 0.00 C ATOM 38 C GLN A 3 3.694 -9.892 -4.994 1.00 0.00 C ATOM 39 O GLN A 3 3.889 -9.414 -3.879 1.00 0.00 O ATOM 40 CB GLN A 3 2.281 -11.973 -5.025 1.00 0.00 C ATOM 41 CG GLN A 3 2.180 -13.455 -5.408 1.00 0.00 C ATOM 42 CD GLN A 3 2.397 -13.694 -6.901 1.00 0.00 C ATOM 43 OE1 GLN A 3 1.453 -13.619 -7.684 1.00 0.00 O ATOM 44 NE2 GLN A 3 3.633 -13.989 -7.305 1.00 0.00 N ATOM 0 H GLN A 3 4.358 -11.662 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 3 4.040 -11.669 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.958 -11.848 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.595 -11.396 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.918 -14.023 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.199 -13.834 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.392 -14.043 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.819 -14.161 -8.293 1.00 0.00 H new ATOM 53 N GLU A 4 3.489 -9.145 -6.084 1.00 0.00 N ATOM 54 CA GLU A 4 3.528 -7.689 -6.086 1.00 0.00 C ATOM 55 C GLU A 4 2.181 -7.128 -6.531 1.00 0.00 C ATOM 56 O GLU A 4 1.478 -7.749 -7.328 1.00 0.00 O ATOM 57 CB GLU A 4 4.661 -7.194 -6.992 1.00 0.00 C ATOM 58 CG GLU A 4 6.029 -7.638 -6.458 1.00 0.00 C ATOM 59 CD GLU A 4 7.167 -7.033 -7.272 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.445 -7.585 -8.360 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.739 -6.029 -6.795 1.00 0.00 O ATOM 0 H GLU A 4 3.289 -9.546 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 4 3.724 -7.334 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.519 -7.580 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.629 -6.107 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.128 -7.340 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.097 -8.725 -6.487 1.00 0.00 H new ATOM 68 N THR A 5 1.832 -5.948 -6.007 1.00 0.00 N ATOM 69 CA THR A 5 0.627 -5.220 -6.369 1.00 0.00 C ATOM 70 C THR A 5 0.915 -3.721 -6.320 1.00 0.00 C ATOM 71 O THR A 5 1.707 -3.266 -5.495 1.00 0.00 O ATOM 72 CB THR A 5 -0.542 -5.618 -5.449 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.742 -5.020 -5.895 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.312 -5.240 -3.980 1.00 0.00 C ATOM 0 H THR A 5 2.396 -5.469 -5.305 1.00 0.00 H new ATOM 0 HA THR A 5 0.328 -5.477 -7.385 1.00 0.00 H new ATOM 0 HB THR A 5 -0.612 -6.705 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.333 -4.861 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.172 -5.548 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.582 -5.742 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.182 -4.161 -3.898 1.00 0.00 H new ATOM 82 N VAL A 6 0.257 -2.969 -7.208 1.00 0.00 N ATOM 83 CA VAL A 6 0.262 -1.517 -7.223 1.00 0.00 C ATOM 84 C VAL A 6 -1.158 -1.078 -6.879 1.00 0.00 C ATOM 85 O VAL A 6 -2.107 -1.516 -7.525 1.00 0.00 O ATOM 86 CB VAL A 6 0.713 -0.984 -8.594 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.808 0.549 -8.563 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.083 -1.554 -8.984 1.00 0.00 C ATOM 0 H VAL A 6 -0.308 -3.373 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 6 0.970 -1.113 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.028 -1.297 -9.330 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.128 0.914 -9.539 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.168 0.969 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.532 0.853 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.377 -1.161 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.823 -1.266 -8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.024 -2.641 -9.035 1.00 0.00 H new ATOM 98 N ILE A 7 -1.300 -0.231 -5.856 1.00 0.00 N ATOM 99 CA ILE A 7 -2.577 0.283 -5.384 1.00 0.00 C ATOM 100 C ILE A 7 -2.522 1.801 -5.511 1.00 0.00 C ATOM 101 O ILE A 7 -1.546 2.410 -5.083 1.00 0.00 O ATOM 102 CB ILE A 7 -2.822 -0.172 -3.930 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.714 -1.708 -3.838 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.196 0.311 -3.439 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.042 -2.267 -2.451 1.00 0.00 C ATOM 0 H ILE A 7 -0.505 0.122 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.410 -0.101 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.062 0.270 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.388 -2.155 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.703 -2.009 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.352 -0.019 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.235 1.400 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.977 -0.105 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.945 -3.353 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.352 -1.849 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.063 -1.998 -2.182 1.00 0.00 H new ATOM 117 N ASN A 8 -3.556 2.413 -6.096 1.00 0.00 N ATOM 118 CA ASN A 8 -3.693 3.859 -6.155 1.00 0.00 C ATOM 119 C ASN A 8 -4.249 4.344 -4.819 1.00 0.00 C ATOM 120 O ASN A 8 -5.322 3.904 -4.405 1.00 0.00 O ATOM 121 CB ASN A 8 -4.622 4.271 -7.304 1.00 0.00 C ATOM 122 CG ASN A 8 -4.130 3.779 -8.662 1.00 0.00 C ATOM 123 OD1 ASN A 8 -4.840 3.056 -9.357 1.00 0.00 O ATOM 124 ND2 ASN A 8 -2.911 4.160 -9.050 1.00 0.00 N ATOM 0 H ASN A 8 -4.323 1.910 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.720 4.313 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.621 3.875 -7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.708 5.357 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.542 3.850 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.349 4.761 -8.448 1.00 0.00 H new ATOM 131 N ILE A 9 -3.515 5.249 -4.160 1.00 0.00 N ATOM 132 CA ILE A 9 -3.941 5.932 -2.950 1.00 0.00 C ATOM 133 C ILE A 9 -4.194 7.382 -3.344 1.00 0.00 C ATOM 134 O ILE A 9 -3.263 8.186 -3.389 1.00 0.00 O ATOM 135 CB ILE A 9 -2.882 5.816 -1.838 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.616 4.352 -1.449 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.383 6.567 -0.596 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.303 3.836 -2.028 1.00 0.00 C ATOM 0 H ILE A 9 -2.584 5.528 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.845 5.481 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.953 6.244 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.592 4.264 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.437 3.728 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.641 6.492 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.543 7.616 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.322 6.127 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.156 2.798 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.336 3.898 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.478 4.442 -1.655 1.00 0.00 H new ATOM 150 N ASP A 10 -5.456 7.708 -3.633 1.00 0.00 N ATOM 151 CA ASP A 10 -5.860 9.032 -4.074 1.00 0.00 C ATOM 152 C ASP A 10 -6.433 9.811 -2.888 1.00 0.00 C ATOM 153 O ASP A 10 -7.048 9.235 -1.991 1.00 0.00 O ATOM 154 CB ASP A 10 -6.861 8.890 -5.227 1.00 0.00 C ATOM 155 CG ASP A 10 -7.451 10.233 -5.646 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.678 11.047 -6.195 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.663 10.425 -5.404 1.00 0.00 O ATOM 0 H ASP A 10 -6.230 7.047 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.005 9.597 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.365 8.430 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.666 8.219 -4.927 1.00 0.00 H new ATOM 162 N GLY A 11 -6.213 11.129 -2.894 1.00 0.00 N ATOM 163 CA GLY A 11 -6.694 12.040 -1.870 1.00 0.00 C ATOM 164 C GLY A 11 -5.748 12.115 -0.672 1.00 0.00 C ATOM 165 O GLY A 11 -6.210 12.152 0.467 1.00 0.00 O ATOM 0 H GLY A 11 -5.683 11.595 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.814 13.035 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.679 11.717 -1.533 1.00 0.00 H new ATOM 169 N MET A 12 -4.432 12.168 -0.922 1.00 0.00 N ATOM 170 CA MET A 12 -3.450 12.457 0.115 1.00 0.00 C ATOM 171 C MET A 12 -3.430 13.969 0.352 1.00 0.00 C ATOM 172 O MET A 12 -3.567 14.746 -0.592 1.00 0.00 O ATOM 173 CB MET A 12 -2.046 12.009 -0.309 1.00 0.00 C ATOM 174 CG MET A 12 -1.871 10.501 -0.500 1.00 0.00 C ATOM 175 SD MET A 12 -0.121 10.055 -0.698 1.00 0.00 S ATOM 176 CE MET A 12 -0.259 8.359 -1.304 1.00 0.00 C ATOM 0 H MET A 12 -4.027 12.012 -1.845 1.00 0.00 H new ATOM 0 HA MET A 12 -3.727 11.917 1.020 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.789 12.509 -1.243 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.332 12.349 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.287 9.974 0.358 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.432 10.176 -1.376 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.737 7.957 -1.489 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.765 7.746 -0.558 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.832 8.349 -2.231 1.00 0.00 H new ATOM 186 N THR A 13 -3.249 14.383 1.609 1.00 0.00 N ATOM 187 CA THR A 13 -3.192 15.786 1.995 1.00 0.00 C ATOM 188 C THR A 13 -1.776 16.337 1.803 1.00 0.00 C ATOM 189 O THR A 13 -1.615 17.455 1.319 1.00 0.00 O ATOM 190 CB THR A 13 -3.665 15.945 3.448 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.891 15.148 4.321 1.00 0.00 O ATOM 192 CG2 THR A 13 -5.138 15.550 3.595 1.00 0.00 C ATOM 0 H THR A 13 -3.137 13.741 2.394 1.00 0.00 H new ATOM 0 HA THR A 13 -3.859 16.363 1.354 1.00 0.00 H new ATOM 0 HB THR A 13 -3.545 16.996 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.446 15.672 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.751 16.187 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.267 14.509 3.299 1.00 0.00 H new ATOM 200 N CYS A 14 -0.757 15.557 2.187 1.00 0.00 N ATOM 201 CA CYS A 14 0.646 15.961 2.143 1.00 0.00 C ATOM 202 C CYS A 14 1.535 14.715 2.258 1.00 0.00 C ATOM 203 O CYS A 14 1.033 13.597 2.369 1.00 0.00 O ATOM 204 CB CYS A 14 0.933 16.957 3.279 1.00 0.00 C ATOM 205 SG CYS A 14 0.874 16.159 4.895 1.00 0.00 S ATOM 0 HA CYS A 14 0.864 16.455 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.915 17.406 3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.204 17.767 3.246 1.00 0.00 H new ATOM 210 N ASN A 15 2.859 14.913 2.240 1.00 0.00 N ATOM 211 CA ASN A 15 3.849 13.840 2.267 1.00 0.00 C ATOM 212 C ASN A 15 3.799 13.005 3.553 1.00 0.00 C ATOM 213 O ASN A 15 4.201 11.844 3.537 1.00 0.00 O ATOM 214 CB ASN A 15 5.246 14.428 2.041 1.00 0.00 C ATOM 215 CG ASN A 15 6.293 13.329 1.859 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.416 12.763 0.775 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.049 13.022 2.915 1.00 0.00 N ATOM 0 H ASN A 15 3.276 15.843 2.206 1.00 0.00 H new ATOM 0 HA ASN A 15 3.607 13.150 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.234 15.070 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.519 15.056 2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.760 12.294 2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.916 13.515 3.798 1.00 0.00 H new ATOM 224 N SER A 16 3.303 13.563 4.664 1.00 0.00 N ATOM 225 CA SER A 16 3.114 12.817 5.904 1.00 0.00 C ATOM 226 C SER A 16 2.292 11.544 5.676 1.00 0.00 C ATOM 227 O SER A 16 2.556 10.529 6.315 1.00 0.00 O ATOM 228 CB SER A 16 2.452 13.704 6.961 1.00 0.00 C ATOM 229 OG SER A 16 3.185 14.902 7.118 1.00 0.00 O ATOM 0 H SER A 16 3.023 14.542 4.724 1.00 0.00 H new ATOM 0 HA SER A 16 4.097 12.513 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.428 13.931 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.400 13.173 7.912 1.00 0.00 H new ATOM 0 HG SER A 16 2.795 15.601 6.552 1.00 0.00 H new ATOM 235 N CYS A 17 1.314 11.592 4.759 1.00 0.00 N ATOM 236 CA CYS A 17 0.516 10.432 4.389 1.00 0.00 C ATOM 237 C CYS A 17 1.405 9.305 3.868 1.00 0.00 C ATOM 238 O CYS A 17 1.265 8.174 4.321 1.00 0.00 O ATOM 239 CB CYS A 17 -0.528 10.806 3.337 1.00 0.00 C ATOM 240 SG CYS A 17 -1.727 12.049 3.865 1.00 0.00 S ATOM 0 H CYS A 17 1.060 12.443 4.257 1.00 0.00 H new ATOM 0 HA CYS A 17 0.000 10.082 5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.013 11.173 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.066 9.905 3.044 1.00 0.00 H new ATOM 245 N VAL A 18 2.317 9.611 2.933 1.00 0.00 N ATOM 246 CA VAL A 18 3.258 8.646 2.370 1.00 0.00 C ATOM 247 C VAL A 18 3.975 7.904 3.498 1.00 0.00 C ATOM 248 O VAL A 18 3.994 6.674 3.507 1.00 0.00 O ATOM 249 CB VAL A 18 4.262 9.345 1.431 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.312 8.371 0.886 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.542 9.991 0.244 1.00 0.00 C ATOM 0 H VAL A 18 2.419 10.549 2.545 1.00 0.00 H new ATOM 0 HA VAL A 18 2.707 7.918 1.774 1.00 0.00 H new ATOM 0 HB VAL A 18 4.761 10.108 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.998 8.906 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.869 7.935 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.817 7.579 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.272 10.477 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.010 9.225 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.830 10.732 0.609 1.00 0.00 H new ATOM 261 N GLN A 19 4.542 8.663 4.446 1.00 0.00 N ATOM 262 CA GLN A 19 5.257 8.128 5.595 1.00 0.00 C ATOM 263 C GLN A 19 4.347 7.199 6.405 1.00 0.00 C ATOM 264 O GLN A 19 4.715 6.055 6.656 1.00 0.00 O ATOM 265 CB GLN A 19 5.825 9.284 6.434 1.00 0.00 C ATOM 266 CG GLN A 19 6.917 8.836 7.417 1.00 0.00 C ATOM 267 CD GLN A 19 6.379 8.008 8.583 1.00 0.00 C ATOM 268 OE1 GLN A 19 5.634 8.519 9.415 1.00 0.00 O ATOM 269 NE2 GLN A 19 6.753 6.728 8.651 1.00 0.00 N ATOM 0 H GLN A 19 4.512 9.682 4.428 1.00 0.00 H new ATOM 0 HA GLN A 19 6.100 7.524 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.234 10.042 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.014 9.754 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.663 8.251 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.426 9.716 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.373 6.340 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.418 6.139 9.413 1.00 0.00 H new ATOM 278 N SER A 20 3.164 7.677 6.809 1.00 0.00 N ATOM 279 CA SER A 20 2.215 6.900 7.597 1.00 0.00 C ATOM 280 C SER A 20 1.866 5.571 6.919 1.00 0.00 C ATOM 281 O SER A 20 1.875 4.527 7.571 1.00 0.00 O ATOM 282 CB SER A 20 0.951 7.727 7.850 1.00 0.00 C ATOM 283 OG SER A 20 1.280 8.936 8.501 1.00 0.00 O ATOM 0 H SER A 20 2.841 8.620 6.594 1.00 0.00 H new ATOM 0 HA SER A 20 2.684 6.660 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.451 7.939 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.251 7.156 8.460 1.00 0.00 H new ATOM 0 HG SER A 20 1.655 9.566 7.851 1.00 0.00 H new ATOM 289 N ILE A 21 1.563 5.613 5.616 1.00 0.00 N ATOM 290 CA ILE A 21 1.168 4.452 4.833 1.00 0.00 C ATOM 291 C ILE A 21 2.293 3.415 4.840 1.00 0.00 C ATOM 292 O ILE A 21 2.069 2.291 5.286 1.00 0.00 O ATOM 293 CB ILE A 21 0.758 4.878 3.410 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.518 5.742 3.442 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.492 3.650 2.525 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.648 6.597 2.178 1.00 0.00 C ATOM 0 H ILE A 21 1.588 6.476 5.072 1.00 0.00 H new ATOM 0 HA ILE A 21 0.293 3.983 5.283 1.00 0.00 H new ATOM 0 HB ILE A 21 1.584 5.457 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.392 5.098 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.499 6.388 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.204 3.977 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.396 3.044 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.313 3.057 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.559 7.193 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.214 7.258 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.692 5.948 1.303 1.00 0.00 H new ATOM 308 N GLU A 22 3.492 3.776 4.358 1.00 0.00 N ATOM 309 CA GLU A 22 4.610 2.837 4.311 1.00 0.00 C ATOM 310 C GLU A 22 4.981 2.344 5.711 1.00 0.00 C ATOM 311 O GLU A 22 5.341 1.181 5.872 1.00 0.00 O ATOM 312 CB GLU A 22 5.803 3.403 3.519 1.00 0.00 C ATOM 313 CG GLU A 22 6.555 4.579 4.161 1.00 0.00 C ATOM 314 CD GLU A 22 7.454 4.199 5.338 1.00 0.00 C ATOM 315 OE1 GLU A 22 8.054 3.104 5.280 1.00 0.00 O ATOM 316 OE2 GLU A 22 7.530 5.019 6.280 1.00 0.00 O ATOM 0 H GLU A 22 3.706 4.706 3.999 1.00 0.00 H new ATOM 0 HA GLU A 22 4.287 1.956 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.514 2.595 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.443 3.721 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.165 5.062 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.827 5.315 4.501 1.00 0.00 H new ATOM 323 N GLY A 23 4.874 3.219 6.719 1.00 0.00 N ATOM 324 CA GLY A 23 5.146 2.904 8.110 1.00 0.00 C ATOM 325 C GLY A 23 4.284 1.735 8.576 1.00 0.00 C ATOM 326 O GLY A 23 4.818 0.700 8.967 1.00 0.00 O ATOM 0 H GLY A 23 4.588 4.188 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.200 2.656 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.949 3.778 8.731 1.00 0.00 H new ATOM 330 N VAL A 24 2.956 1.895 8.521 1.00 0.00 N ATOM 331 CA VAL A 24 2.014 0.850 8.902 1.00 0.00 C ATOM 332 C VAL A 24 2.259 -0.409 8.069 1.00 0.00 C ATOM 333 O VAL A 24 2.510 -1.477 8.625 1.00 0.00 O ATOM 334 CB VAL A 24 0.564 1.351 8.749 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.447 0.203 8.914 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.260 2.431 9.795 1.00 0.00 C ATOM 0 H VAL A 24 2.509 2.757 8.209 1.00 0.00 H new ATOM 0 HA VAL A 24 2.169 0.597 9.951 1.00 0.00 H new ATOM 0 HB VAL A 24 0.468 1.766 7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.459 0.591 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.262 -0.557 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.337 -0.239 9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.767 2.775 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.389 2.016 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.942 3.270 9.660 1.00 0.00 H new ATOM 346 N ILE A 25 2.174 -0.276 6.741 1.00 0.00 N ATOM 347 CA ILE A 25 2.165 -1.406 5.824 1.00 0.00 C ATOM 348 C ILE A 25 3.441 -2.246 5.940 1.00 0.00 C ATOM 349 O ILE A 25 3.350 -3.471 5.934 1.00 0.00 O ATOM 350 CB ILE A 25 1.830 -0.937 4.395 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.385 -0.397 4.371 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.958 -2.100 3.404 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.051 0.108 2.994 1.00 0.00 C ATOM 0 H ILE A 25 2.109 0.629 6.275 1.00 0.00 H new ATOM 0 HA ILE A 25 1.366 -2.091 6.109 1.00 0.00 H new ATOM 0 HB ILE A 25 2.529 -0.153 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.295 -1.185 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.296 0.415 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.718 -1.751 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.979 -2.482 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.268 -2.896 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.076 0.473 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.607 0.918 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.006 -0.707 2.273 1.00 0.00 H new ATOM 365 N SER A 26 4.616 -1.617 6.071 1.00 0.00 N ATOM 366 CA SER A 26 5.883 -2.329 6.231 1.00 0.00 C ATOM 367 C SER A 26 5.864 -3.323 7.400 1.00 0.00 C ATOM 368 O SER A 26 6.543 -4.346 7.333 1.00 0.00 O ATOM 369 CB SER A 26 7.046 -1.342 6.375 1.00 0.00 C ATOM 370 OG SER A 26 6.898 -0.542 7.529 1.00 0.00 O ATOM 0 H SER A 26 4.711 -0.601 6.069 1.00 0.00 H new ATOM 0 HA SER A 26 6.029 -2.916 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.987 -1.890 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.097 -0.705 5.492 1.00 0.00 H new ATOM 0 HG SER A 26 6.227 0.153 7.362 1.00 0.00 H new ATOM 376 N LYS A 27 5.092 -3.035 8.459 1.00 0.00 N ATOM 377 CA LYS A 27 5.014 -3.872 9.650 1.00 0.00 C ATOM 378 C LYS A 27 3.923 -4.947 9.544 1.00 0.00 C ATOM 379 O LYS A 27 3.893 -5.847 10.383 1.00 0.00 O ATOM 380 CB LYS A 27 4.778 -2.996 10.887 1.00 0.00 C ATOM 381 CG LYS A 27 5.929 -2.006 11.115 1.00 0.00 C ATOM 382 CD LYS A 27 5.867 -1.360 12.507 1.00 0.00 C ATOM 383 CE LYS A 27 4.590 -0.551 12.767 1.00 0.00 C ATOM 384 NZ LYS A 27 4.470 0.600 11.858 1.00 0.00 N ATOM 0 H LYS A 27 4.501 -2.205 8.506 1.00 0.00 H new ATOM 0 HA LYS A 27 5.966 -4.394 9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.844 -2.446 10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.666 -3.631 11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.881 -2.524 10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.894 -1.228 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.949 -2.142 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.730 -0.706 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.721 -1.198 12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.588 -0.200 13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.577 1.099 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.268 1.249 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.480 0.267 10.873 1.00 0.00 H new ATOM 398 N LYS A 28 3.033 -4.881 8.543 1.00 0.00 N ATOM 399 CA LYS A 28 1.982 -5.879 8.376 1.00 0.00 C ATOM 400 C LYS A 28 2.602 -7.221 7.960 1.00 0.00 C ATOM 401 O LYS A 28 3.548 -7.235 7.172 1.00 0.00 O ATOM 402 CB LYS A 28 0.953 -5.421 7.336 1.00 0.00 C ATOM 403 CG LYS A 28 0.193 -4.170 7.796 1.00 0.00 C ATOM 404 CD LYS A 28 -0.779 -3.684 6.714 1.00 0.00 C ATOM 405 CE LYS A 28 -2.078 -4.491 6.709 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.900 -4.162 5.535 1.00 0.00 N ATOM 0 H LYS A 28 3.025 -4.143 7.839 1.00 0.00 H new ATOM 0 HA LYS A 28 1.466 -6.003 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.458 -5.213 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.244 -6.227 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.357 -4.391 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.902 -3.377 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.007 -2.631 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.301 -3.759 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.848 -5.556 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.641 -4.286 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.897 -4.379 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.803 -3.150 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.582 -4.724 4.720 1.00 0.00 H new ATOM 420 N PRO A 29 2.089 -8.352 8.474 1.00 0.00 N ATOM 421 CA PRO A 29 2.654 -9.666 8.216 1.00 0.00 C ATOM 422 C PRO A 29 2.495 -10.025 6.738 1.00 0.00 C ATOM 423 O PRO A 29 1.412 -9.880 6.173 1.00 0.00 O ATOM 424 CB PRO A 29 1.895 -10.628 9.134 1.00 0.00 C ATOM 425 CG PRO A 29 0.544 -9.941 9.324 1.00 0.00 C ATOM 426 CD PRO A 29 0.920 -8.460 9.331 1.00 0.00 C ATOM 0 HA PRO A 29 3.724 -9.710 8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.785 -11.613 8.681 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.411 -10.769 10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.149 -10.179 8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.064 -10.242 10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.101 -7.845 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.141 -8.116 10.341 1.00 0.00 H new ATOM 434 N GLY A 30 3.591 -10.479 6.121 1.00 0.00 N ATOM 435 CA GLY A 30 3.644 -10.824 4.711 1.00 0.00 C ATOM 436 C GLY A 30 4.374 -9.770 3.888 1.00 0.00 C ATOM 437 O GLY A 30 5.019 -10.130 2.907 1.00 0.00 O ATOM 0 H GLY A 30 4.479 -10.617 6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.144 -11.785 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.630 -10.943 4.329 1.00 0.00 H new ATOM 441 N VAL A 31 4.273 -8.487 4.266 1.00 0.00 N ATOM 442 CA VAL A 31 4.874 -7.395 3.511 1.00 0.00 C ATOM 443 C VAL A 31 6.401 -7.478 3.573 1.00 0.00 C ATOM 444 O VAL A 31 6.968 -7.780 4.622 1.00 0.00 O ATOM 445 CB VAL A 31 4.348 -6.037 4.002 1.00 0.00 C ATOM 446 CG1 VAL A 31 5.023 -4.888 3.239 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.830 -5.966 3.786 1.00 0.00 C ATOM 0 H VAL A 31 3.773 -8.185 5.102 1.00 0.00 H new ATOM 0 HA VAL A 31 4.584 -7.490 2.465 1.00 0.00 H new ATOM 0 HB VAL A 31 4.578 -5.938 5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.637 -3.935 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.100 -4.928 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.811 -4.984 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.458 -5.003 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.608 -6.079 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.345 -6.766 4.345 1.00 0.00 H new ATOM 457 N LYS A 32 7.047 -7.213 2.431 1.00 0.00 N ATOM 458 CA LYS A 32 8.490 -7.258 2.251 1.00 0.00 C ATOM 459 C LYS A 32 8.957 -5.873 1.794 1.00 0.00 C ATOM 460 O LYS A 32 8.992 -4.953 2.610 1.00 0.00 O ATOM 461 CB LYS A 32 8.836 -8.401 1.283 1.00 0.00 C ATOM 462 CG LYS A 32 8.535 -9.754 1.947 1.00 0.00 C ATOM 463 CD LYS A 32 8.612 -10.917 0.956 1.00 0.00 C ATOM 464 CE LYS A 32 8.280 -12.226 1.684 1.00 0.00 C ATOM 465 NZ LYS A 32 8.299 -13.381 0.772 1.00 0.00 N ATOM 0 H LYS A 32 6.553 -6.952 1.578 1.00 0.00 H new ATOM 0 HA LYS A 32 9.021 -7.479 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.258 -8.300 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.889 -8.348 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.243 -9.923 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.541 -9.724 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.913 -10.757 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.609 -10.973 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.998 -12.386 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.296 -12.145 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.392 -14.258 1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.414 -13.408 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.104 -13.295 0.120 1.00 0.00 H new ATOM 479 N SER A 33 9.308 -5.704 0.512 1.00 0.00 N ATOM 480 CA SER A 33 9.727 -4.415 -0.026 1.00 0.00 C ATOM 481 C SER A 33 8.501 -3.548 -0.324 1.00 0.00 C ATOM 482 O SER A 33 7.463 -4.067 -0.731 1.00 0.00 O ATOM 483 CB SER A 33 10.588 -4.626 -1.277 1.00 0.00 C ATOM 484 OG SER A 33 9.888 -5.365 -2.255 1.00 0.00 O ATOM 0 H SER A 33 9.308 -6.458 -0.175 1.00 0.00 H new ATOM 0 HA SER A 33 10.333 -3.891 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.882 -3.660 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.505 -5.150 -1.007 1.00 0.00 H new ATOM 0 HG SER A 33 10.457 -5.485 -3.044 1.00 0.00 H new ATOM 490 N ILE A 34 8.623 -2.230 -0.120 1.00 0.00 N ATOM 491 CA ILE A 34 7.543 -1.278 -0.341 1.00 0.00 C ATOM 492 C ILE A 34 8.098 0.091 -0.743 1.00 0.00 C ATOM 493 O ILE A 34 9.142 0.512 -0.247 1.00 0.00 O ATOM 494 CB ILE A 34 6.629 -1.193 0.900 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.536 -0.133 0.677 1.00 0.00 C ATOM 496 CG2 ILE A 34 7.411 -0.886 2.188 1.00 0.00 C ATOM 497 CD1 ILE A 34 4.364 -0.271 1.649 1.00 0.00 C ATOM 0 H ILE A 34 9.487 -1.797 0.207 1.00 0.00 H new ATOM 0 HA ILE A 34 6.931 -1.632 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 34 6.170 -2.173 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.973 0.860 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.165 -0.211 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.721 -0.837 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.144 -1.673 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.924 0.070 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.626 0.504 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.904 -1.252 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.725 -0.164 2.672 1.00 0.00 H new ATOM 509 N ARG A 35 7.376 0.778 -1.638 1.00 0.00 N ATOM 510 CA ARG A 35 7.590 2.174 -1.993 1.00 0.00 C ATOM 511 C ARG A 35 6.217 2.829 -2.156 1.00 0.00 C ATOM 512 O ARG A 35 5.356 2.276 -2.836 1.00 0.00 O ATOM 513 CB ARG A 35 8.427 2.276 -3.280 1.00 0.00 C ATOM 514 CG ARG A 35 8.443 3.683 -3.904 1.00 0.00 C ATOM 515 CD ARG A 35 9.079 4.748 -3.000 1.00 0.00 C ATOM 516 NE ARG A 35 8.679 6.101 -3.407 1.00 0.00 N ATOM 517 CZ ARG A 35 9.175 6.790 -4.448 1.00 0.00 C ATOM 518 NH1 ARG A 35 10.124 6.265 -5.235 1.00 0.00 N ATOM 519 NH2 ARG A 35 8.710 8.021 -4.701 1.00 0.00 N ATOM 0 H ARG A 35 6.601 0.356 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 35 8.148 2.692 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.451 1.975 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.037 1.569 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.988 3.647 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.420 3.980 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.782 4.574 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.165 4.660 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 35 7.959 6.559 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.481 5.328 -5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.489 6.802 -6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.987 8.425 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.079 8.554 -5.489 1.00 0.00 H new ATOM 533 N VAL A 36 6.023 4.001 -1.539 1.00 0.00 N ATOM 534 CA VAL A 36 4.815 4.811 -1.643 1.00 0.00 C ATOM 535 C VAL A 36 5.215 6.208 -2.129 1.00 0.00 C ATOM 536 O VAL A 36 6.301 6.686 -1.801 1.00 0.00 O ATOM 537 CB VAL A 36 4.077 4.827 -0.289 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.750 5.596 -0.367 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.767 3.401 0.185 1.00 0.00 C ATOM 0 H VAL A 36 6.730 4.421 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 36 4.116 4.391 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 36 4.744 5.325 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.264 5.582 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.944 6.627 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.099 5.125 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.247 3.441 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.136 2.902 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.698 2.846 0.301 1.00 0.00 H new ATOM 549 N SER A 37 4.351 6.849 -2.930 1.00 0.00 N ATOM 550 CA SER A 37 4.635 8.116 -3.592 1.00 0.00 C ATOM 551 C SER A 37 3.414 9.037 -3.548 1.00 0.00 C ATOM 552 O SER A 37 2.305 8.612 -3.869 1.00 0.00 O ATOM 553 CB SER A 37 5.040 7.834 -5.042 1.00 0.00 C ATOM 554 OG SER A 37 5.232 9.040 -5.754 1.00 0.00 O ATOM 0 H SER A 37 3.419 6.488 -3.135 1.00 0.00 H new ATOM 0 HA SER A 37 5.450 8.621 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.958 7.246 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.269 7.237 -5.530 1.00 0.00 H new ATOM 0 HG SER A 37 5.334 8.844 -6.709 1.00 0.00 H new ATOM 560 N LEU A 38 3.641 10.303 -3.172 1.00 0.00 N ATOM 561 CA LEU A 38 2.659 11.378 -3.240 1.00 0.00 C ATOM 562 C LEU A 38 2.481 11.808 -4.695 1.00 0.00 C ATOM 563 O LEU A 38 1.355 11.901 -5.178 1.00 0.00 O ATOM 564 CB LEU A 38 3.132 12.560 -2.375 1.00 0.00 C ATOM 565 CG LEU A 38 2.219 13.798 -2.432 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.821 13.499 -1.880 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.852 14.928 -1.613 1.00 0.00 C ATOM 0 H LEU A 38 4.541 10.610 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 38 1.699 11.032 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.209 12.228 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.134 12.848 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 38 2.114 14.092 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.207 14.398 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.359 12.706 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.901 13.180 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.210 15.808 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.968 14.606 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.829 15.175 -2.028 1.00 0.00 H new ATOM 579 N ALA A 39 3.601 12.069 -5.383 1.00 0.00 N ATOM 580 CA ALA A 39 3.638 12.533 -6.764 1.00 0.00 C ATOM 581 C ALA A 39 2.819 11.626 -7.683 1.00 0.00 C ATOM 582 O ALA A 39 2.034 12.115 -8.492 1.00 0.00 O ATOM 583 CB ALA A 39 5.092 12.612 -7.235 1.00 0.00 C ATOM 0 H ALA A 39 4.530 11.958 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 39 3.189 13.525 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.122 12.959 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.642 13.309 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.549 11.625 -7.171 1.00 0.00 H new ATOM 589 N ASN A 40 2.996 10.307 -7.543 1.00 0.00 N ATOM 590 CA ASN A 40 2.271 9.312 -8.324 1.00 0.00 C ATOM 591 C ASN A 40 0.961 8.902 -7.640 1.00 0.00 C ATOM 592 O ASN A 40 0.135 8.249 -8.276 1.00 0.00 O ATOM 593 CB ASN A 40 3.168 8.092 -8.550 1.00 0.00 C ATOM 594 CG ASN A 40 4.486 8.463 -9.225 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.530 8.485 -8.577 1.00 0.00 O ATOM 596 ND2 ASN A 40 4.442 8.757 -10.525 1.00 0.00 N ATOM 0 H ASN A 40 3.654 9.902 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 40 2.007 9.752 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.374 7.612 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.639 7.363 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.297 9.012 -11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.553 8.726 -11.025 1.00 0.00 H new ATOM 603 N SER A 41 0.765 9.277 -6.365 1.00 0.00 N ATOM 604 CA SER A 41 -0.426 8.981 -5.575 1.00 0.00 C ATOM 605 C SER A 41 -0.724 7.481 -5.593 1.00 0.00 C ATOM 606 O SER A 41 -1.837 7.061 -5.913 1.00 0.00 O ATOM 607 CB SER A 41 -1.607 9.836 -6.057 1.00 0.00 C ATOM 608 OG SER A 41 -1.340 11.205 -5.830 1.00 0.00 O ATOM 0 H SER A 41 1.460 9.813 -5.845 1.00 0.00 H new ATOM 0 HA SER A 41 -0.248 9.247 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.782 9.663 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.516 9.543 -5.532 1.00 0.00 H new ATOM 0 HG SER A 41 -0.402 11.316 -5.568 1.00 0.00 H new ATOM 614 N ASN A 42 0.288 6.671 -5.261 1.00 0.00 N ATOM 615 CA ASN A 42 0.194 5.221 -5.323 1.00 0.00 C ATOM 616 C ASN A 42 1.167 4.550 -4.354 1.00 0.00 C ATOM 617 O ASN A 42 1.998 5.213 -3.734 1.00 0.00 O ATOM 618 CB ASN A 42 0.365 4.725 -6.771 1.00 0.00 C ATOM 619 CG ASN A 42 1.787 4.852 -7.320 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.680 5.397 -6.677 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.004 4.336 -8.531 1.00 0.00 N ATOM 0 H ASN A 42 1.195 7.011 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.805 4.931 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.061 3.679 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.312 5.285 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.933 4.388 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.241 3.890 -9.039 1.00 0.00 H new ATOM 628 N GLY A 43 1.036 3.224 -4.236 1.00 0.00 N ATOM 629 CA GLY A 43 1.805 2.375 -3.348 1.00 0.00 C ATOM 630 C GLY A 43 2.095 1.049 -4.041 1.00 0.00 C ATOM 631 O GLY A 43 1.171 0.295 -4.342 1.00 0.00 O ATOM 0 H GLY A 43 0.357 2.699 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.738 2.867 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.253 2.202 -2.424 1.00 0.00 H new ATOM 635 N THR A 44 3.382 0.777 -4.279 1.00 0.00 N ATOM 636 CA THR A 44 3.889 -0.454 -4.864 1.00 0.00 C ATOM 637 C THR A 44 4.391 -1.318 -3.712 1.00 0.00 C ATOM 638 O THR A 44 5.329 -0.924 -3.019 1.00 0.00 O ATOM 639 CB THR A 44 5.015 -0.118 -5.854 1.00 0.00 C ATOM 640 OG1 THR A 44 4.515 0.740 -6.860 1.00 0.00 O ATOM 641 CG2 THR A 44 5.585 -1.382 -6.507 1.00 0.00 C ATOM 0 H THR A 44 4.124 1.441 -4.058 1.00 0.00 H new ATOM 0 HA THR A 44 3.120 -0.992 -5.418 1.00 0.00 H new ATOM 0 HB THR A 44 5.816 0.371 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.232 0.957 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.379 -1.107 -7.201 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.988 -2.039 -5.737 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.794 -1.900 -7.048 1.00 0.00 H new ATOM 649 N VAL A 45 3.750 -2.474 -3.498 1.00 0.00 N ATOM 650 CA VAL A 45 3.964 -3.320 -2.333 1.00 0.00 C ATOM 651 C VAL A 45 4.253 -4.753 -2.781 1.00 0.00 C ATOM 652 O VAL A 45 3.488 -5.312 -3.567 1.00 0.00 O ATOM 653 CB VAL A 45 2.716 -3.286 -1.428 1.00 0.00 C ATOM 654 CG1 VAL A 45 3.012 -3.982 -0.093 1.00 0.00 C ATOM 655 CG2 VAL A 45 2.235 -1.855 -1.152 1.00 0.00 C ATOM 0 H VAL A 45 3.057 -2.848 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 45 4.819 -2.948 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 45 1.923 -3.812 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.124 -3.952 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.291 -5.019 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.832 -3.470 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.354 -1.885 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.027 -1.294 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.982 -1.368 -2.094 1.00 0.00 H new ATOM 665 N GLU A 46 5.342 -5.339 -2.265 1.00 0.00 N ATOM 666 CA GLU A 46 5.649 -6.758 -2.383 1.00 0.00 C ATOM 667 C GLU A 46 5.190 -7.418 -1.087 1.00 0.00 C ATOM 668 O GLU A 46 5.457 -6.895 -0.005 1.00 0.00 O ATOM 669 CB GLU A 46 7.149 -6.973 -2.601 1.00 0.00 C ATOM 670 CG GLU A 46 7.473 -8.459 -2.810 1.00 0.00 C ATOM 671 CD GLU A 46 8.963 -8.670 -3.050 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.693 -8.773 -2.040 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.346 -8.725 -4.239 1.00 0.00 O ATOM 0 H GLU A 46 6.047 -4.820 -1.742 1.00 0.00 H new ATOM 0 HA GLU A 46 5.139 -7.195 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.479 -6.401 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.702 -6.595 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.159 -9.029 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.907 -8.841 -3.660 1.00 0.00 H new ATOM 680 N TYR A 47 4.487 -8.548 -1.198 1.00 0.00 N ATOM 681 CA TYR A 47 3.838 -9.197 -0.074 1.00 0.00 C ATOM 682 C TYR A 47 3.753 -10.710 -0.274 1.00 0.00 C ATOM 683 O TYR A 47 3.963 -11.207 -1.380 1.00 0.00 O ATOM 684 CB TYR A 47 2.442 -8.591 0.111 1.00 0.00 C ATOM 685 CG TYR A 47 1.484 -8.934 -1.015 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.527 -8.221 -2.227 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.567 -9.990 -0.861 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.744 -8.639 -3.317 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.250 -10.376 -1.936 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.129 -9.731 -3.178 1.00 0.00 C ATOM 691 OH TYR A 47 -0.857 -10.166 -4.246 1.00 0.00 O ATOM 0 H TYR A 47 4.356 -9.037 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 47 4.432 -9.028 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.023 -8.942 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.531 -7.507 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.162 -7.352 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.491 -10.505 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.814 -8.120 -4.262 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.972 -11.169 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.408 -10.930 -3.977 1.00 0.00 H new ATOM 701 N ASP A 48 3.421 -11.425 0.809 1.00 0.00 N ATOM 702 CA ASP A 48 3.150 -12.855 0.805 1.00 0.00 C ATOM 703 C ASP A 48 1.629 -13.088 0.840 1.00 0.00 C ATOM 704 O ASP A 48 1.003 -12.763 1.850 1.00 0.00 O ATOM 705 CB ASP A 48 3.845 -13.514 2.004 1.00 0.00 C ATOM 706 CG ASP A 48 3.879 -15.037 1.876 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.792 -15.625 1.686 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.996 -15.591 1.969 1.00 0.00 O ATOM 0 H ASP A 48 3.333 -11.006 1.735 1.00 0.00 H new ATOM 0 HA ASP A 48 3.544 -13.308 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.863 -13.134 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.325 -13.238 2.922 1.00 0.00 H new ATOM 713 N PRO A 49 1.033 -13.651 -0.230 1.00 0.00 N ATOM 714 CA PRO A 49 -0.382 -14.007 -0.327 1.00 0.00 C ATOM 715 C PRO A 49 -0.976 -14.688 0.907 1.00 0.00 C ATOM 716 O PRO A 49 -2.117 -14.412 1.272 1.00 0.00 O ATOM 717 CB PRO A 49 -0.489 -14.924 -1.546 1.00 0.00 C ATOM 718 CG PRO A 49 0.593 -14.366 -2.460 1.00 0.00 C ATOM 719 CD PRO A 49 1.699 -13.985 -1.479 1.00 0.00 C ATOM 0 HA PRO A 49 -0.965 -13.090 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.307 -15.967 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.476 -14.877 -2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.932 -15.106 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.240 -13.504 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.398 -14.810 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.276 -13.138 -1.852 1.00 0.00 H new ATOM 727 N LEU A 50 -0.213 -15.588 1.538 1.00 0.00 N ATOM 728 CA LEU A 50 -0.682 -16.391 2.658 1.00 0.00 C ATOM 729 C LEU A 50 -1.030 -15.525 3.873 1.00 0.00 C ATOM 730 O LEU A 50 -1.953 -15.860 4.613 1.00 0.00 O ATOM 731 CB LEU A 50 0.376 -17.438 3.038 1.00 0.00 C ATOM 732 CG LEU A 50 0.806 -18.356 1.878 1.00 0.00 C ATOM 733 CD1 LEU A 50 1.919 -19.290 2.366 1.00 0.00 C ATOM 734 CD2 LEU A 50 -0.363 -19.192 1.343 1.00 0.00 C ATOM 0 H LEU A 50 0.755 -15.776 1.278 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.594 -16.898 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.256 -16.924 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.014 -18.054 3.848 1.00 0.00 H new ATOM 0 HG LEU A 50 1.162 -17.726 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.229 -19.943 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.771 -18.698 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.550 -19.894 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.014 -19.824 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.759 -19.818 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.148 -18.529 0.979 1.00 0.00 H new ATOM 746 N LEU A 51 -0.289 -14.428 4.083 1.00 0.00 N ATOM 747 CA LEU A 51 -0.393 -13.592 5.272 1.00 0.00 C ATOM 748 C LEU A 51 -1.173 -12.300 5.007 1.00 0.00 C ATOM 749 O LEU A 51 -1.806 -11.783 5.926 1.00 0.00 O ATOM 750 CB LEU A 51 1.014 -13.300 5.809 1.00 0.00 C ATOM 751 CG LEU A 51 1.811 -14.565 6.181 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.211 -14.163 6.655 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.126 -15.382 7.284 1.00 0.00 C ATOM 0 H LEU A 51 0.409 -14.097 3.417 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.960 -14.136 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.570 -12.739 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.932 -12.661 6.689 1.00 0.00 H new ATOM 0 HG LEU A 51 1.867 -15.189 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.776 -15.057 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.727 -13.630 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.128 -13.516 7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.727 -16.263 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.026 -14.771 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.138 -15.694 6.946 1.00 0.00 H new ATOM 765 N THR A 52 -1.144 -11.776 3.773 1.00 0.00 N ATOM 766 CA THR A 52 -1.896 -10.584 3.387 1.00 0.00 C ATOM 767 C THR A 52 -2.207 -10.639 1.888 1.00 0.00 C ATOM 768 O THR A 52 -1.625 -11.447 1.170 1.00 0.00 O ATOM 769 CB THR A 52 -1.121 -9.319 3.798 1.00 0.00 C ATOM 770 OG1 THR A 52 -1.908 -8.160 3.619 1.00 0.00 O ATOM 771 CG2 THR A 52 0.180 -9.150 3.011 1.00 0.00 C ATOM 0 H THR A 52 -0.593 -12.174 3.013 1.00 0.00 H new ATOM 0 HA THR A 52 -2.851 -10.549 3.911 1.00 0.00 H new ATOM 0 HB THR A 52 -0.877 -9.446 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.394 -7.371 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.688 -8.243 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.825 -10.011 3.185 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.045 -9.075 1.947 1.00 0.00 H new ATOM 779 N SER A 53 -3.127 -9.786 1.419 1.00 0.00 N ATOM 780 CA SER A 53 -3.580 -9.736 0.033 1.00 0.00 C ATOM 781 C SER A 53 -3.731 -8.276 -0.419 1.00 0.00 C ATOM 782 O SER A 53 -3.719 -7.380 0.426 1.00 0.00 O ATOM 783 CB SER A 53 -4.907 -10.500 -0.077 1.00 0.00 C ATOM 784 OG SER A 53 -5.957 -9.761 0.512 1.00 0.00 O ATOM 0 H SER A 53 -3.586 -9.095 2.013 1.00 0.00 H new ATOM 0 HA SER A 53 -2.847 -10.206 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.135 -10.694 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.817 -11.469 0.414 1.00 0.00 H new ATOM 0 HG SER A 53 -5.713 -9.520 1.430 1.00 0.00 H new ATOM 790 N PRO A 54 -3.892 -8.010 -1.730 1.00 0.00 N ATOM 791 CA PRO A 54 -4.171 -6.677 -2.251 1.00 0.00 C ATOM 792 C PRO A 54 -5.397 -6.044 -1.591 1.00 0.00 C ATOM 793 O PRO A 54 -5.397 -4.847 -1.322 1.00 0.00 O ATOM 794 CB PRO A 54 -4.367 -6.844 -3.761 1.00 0.00 C ATOM 795 CG PRO A 54 -3.567 -8.106 -4.071 1.00 0.00 C ATOM 796 CD PRO A 54 -3.826 -8.957 -2.831 1.00 0.00 C ATOM 0 HA PRO A 54 -3.348 -5.997 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.419 -6.958 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.993 -5.983 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.913 -8.595 -4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.506 -7.894 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.756 -9.518 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.029 -9.684 -2.678 1.00 0.00 H new ATOM 804 N GLU A 55 -6.432 -6.850 -1.324 1.00 0.00 N ATOM 805 CA GLU A 55 -7.655 -6.411 -0.669 1.00 0.00 C ATOM 806 C GLU A 55 -7.400 -6.012 0.786 1.00 0.00 C ATOM 807 O GLU A 55 -7.981 -5.037 1.255 1.00 0.00 O ATOM 808 CB GLU A 55 -8.719 -7.514 -0.760 1.00 0.00 C ATOM 809 CG GLU A 55 -9.152 -7.786 -2.208 1.00 0.00 C ATOM 810 CD GLU A 55 -9.891 -6.594 -2.811 1.00 0.00 C ATOM 811 OE1 GLU A 55 -11.121 -6.525 -2.602 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.218 -5.766 -3.463 1.00 0.00 O ATOM 0 H GLU A 55 -6.436 -7.841 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.022 -5.524 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.327 -8.432 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.589 -7.226 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.275 -8.014 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.796 -8.665 -2.236 1.00 0.00 H new ATOM 819 N THR A 56 -6.538 -6.748 1.500 1.00 0.00 N ATOM 820 CA THR A 56 -6.165 -6.421 2.872 1.00 0.00 C ATOM 821 C THR A 56 -5.461 -5.059 2.912 1.00 0.00 C ATOM 822 O THR A 56 -5.809 -4.200 3.723 1.00 0.00 O ATOM 823 CB THR A 56 -5.264 -7.525 3.445 1.00 0.00 C ATOM 824 OG1 THR A 56 -5.796 -8.800 3.154 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.103 -7.398 4.962 1.00 0.00 C ATOM 0 H THR A 56 -6.083 -7.586 1.138 1.00 0.00 H new ATOM 0 HA THR A 56 -7.063 -6.359 3.487 1.00 0.00 H new ATOM 0 HB THR A 56 -4.287 -7.410 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.209 -9.492 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.459 -8.198 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.655 -6.433 5.201 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.080 -7.473 5.439 1.00 0.00 H new ATOM 833 N LEU A 57 -4.476 -4.872 2.025 1.00 0.00 N ATOM 834 CA LEU A 57 -3.717 -3.636 1.887 1.00 0.00 C ATOM 835 C LEU A 57 -4.655 -2.470 1.560 1.00 0.00 C ATOM 836 O LEU A 57 -4.645 -1.456 2.256 1.00 0.00 O ATOM 837 CB LEU A 57 -2.640 -3.816 0.804 1.00 0.00 C ATOM 838 CG LEU A 57 -1.553 -4.839 1.184 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.759 -5.245 -0.063 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.579 -4.257 2.212 1.00 0.00 C ATOM 0 H LEU A 57 -4.182 -5.597 1.370 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.221 -3.402 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.118 -4.132 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.169 -2.853 0.607 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.052 -5.706 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.008 -5.969 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.433 -5.692 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.287 -4.364 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.176 -5.003 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.094 -3.374 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.125 -3.979 3.114 1.00 0.00 H new ATOM 852 N ARG A 58 -5.473 -2.627 0.513 1.00 0.00 N ATOM 853 CA ARG A 58 -6.475 -1.660 0.083 1.00 0.00 C ATOM 854 C ARG A 58 -7.398 -1.277 1.246 1.00 0.00 C ATOM 855 O ARG A 58 -7.665 -0.097 1.460 1.00 0.00 O ATOM 856 CB ARG A 58 -7.268 -2.258 -1.087 1.00 0.00 C ATOM 857 CG ARG A 58 -8.234 -1.247 -1.717 1.00 0.00 C ATOM 858 CD ARG A 58 -9.067 -1.894 -2.829 1.00 0.00 C ATOM 859 NE ARG A 58 -9.875 -3.021 -2.343 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.974 -2.914 -1.577 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.435 -1.715 -1.193 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.624 -4.019 -1.192 1.00 0.00 N ATOM 0 H ARG A 58 -5.450 -3.461 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.984 -0.745 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.574 -2.615 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.830 -3.124 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.896 -0.846 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.671 -0.407 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.723 -1.144 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.403 -2.242 -3.621 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.578 -3.960 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.950 -0.866 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.271 -1.652 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.285 -4.937 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.459 -3.943 -0.611 1.00 0.00 H new ATOM 876 N GLY A 59 -7.873 -2.277 1.997 1.00 0.00 N ATOM 877 CA GLY A 59 -8.738 -2.100 3.152 1.00 0.00 C ATOM 878 C GLY A 59 -8.095 -1.206 4.211 1.00 0.00 C ATOM 879 O GLY A 59 -8.731 -0.270 4.691 1.00 0.00 O ATOM 0 H GLY A 59 -7.656 -3.255 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.685 -1.663 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.966 -3.073 3.588 1.00 0.00 H new ATOM 883 N ALA A 60 -6.838 -1.488 4.574 1.00 0.00 N ATOM 884 CA ALA A 60 -6.101 -0.706 5.558 1.00 0.00 C ATOM 885 C ALA A 60 -5.938 0.746 5.103 1.00 0.00 C ATOM 886 O ALA A 60 -6.182 1.665 5.880 1.00 0.00 O ATOM 887 CB ALA A 60 -4.744 -1.355 5.829 1.00 0.00 C ATOM 0 H ALA A 60 -6.307 -2.269 4.189 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.671 -0.691 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.199 -0.765 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.893 -2.365 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.170 -1.399 4.903 1.00 0.00 H new ATOM 893 N ILE A 61 -5.537 0.954 3.844 1.00 0.00 N ATOM 894 CA ILE A 61 -5.399 2.278 3.248 1.00 0.00 C ATOM 895 C ILE A 61 -6.734 3.031 3.326 1.00 0.00 C ATOM 896 O ILE A 61 -6.763 4.210 3.679 1.00 0.00 O ATOM 897 CB ILE A 61 -4.887 2.133 1.803 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.451 1.570 1.799 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.907 3.478 1.064 1.00 0.00 C ATOM 900 CD1 ILE A 61 -3.047 0.990 0.441 1.00 0.00 C ATOM 0 H ILE A 61 -5.297 0.195 3.206 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.669 2.869 3.801 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.554 1.443 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.754 2.362 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.367 0.794 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.540 3.340 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.927 3.861 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.269 4.190 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.027 0.609 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.724 0.178 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.101 1.770 -0.318 1.00 0.00 H new ATOM 912 N GLU A 62 -7.842 2.352 3.007 1.00 0.00 N ATOM 913 CA GLU A 62 -9.173 2.932 3.090 1.00 0.00 C ATOM 914 C GLU A 62 -9.495 3.339 4.532 1.00 0.00 C ATOM 915 O GLU A 62 -10.035 4.420 4.758 1.00 0.00 O ATOM 916 CB GLU A 62 -10.206 1.949 2.518 1.00 0.00 C ATOM 917 CG GLU A 62 -11.564 2.610 2.247 1.00 0.00 C ATOM 918 CD GLU A 62 -11.477 3.716 1.196 1.00 0.00 C ATOM 919 OE1 GLU A 62 -10.996 3.414 0.081 1.00 0.00 O ATOM 920 OE2 GLU A 62 -11.895 4.847 1.525 1.00 0.00 O ATOM 0 H GLU A 62 -7.833 1.384 2.685 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.212 3.840 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.822 1.523 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.341 1.123 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.273 1.852 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.954 3.026 3.176 1.00 0.00 H new ATOM 927 N ASP A 63 -9.148 2.480 5.500 1.00 0.00 N ATOM 928 CA ASP A 63 -9.368 2.716 6.920 1.00 0.00 C ATOM 929 C ASP A 63 -8.603 3.946 7.421 1.00 0.00 C ATOM 930 O ASP A 63 -9.146 4.702 8.225 1.00 0.00 O ATOM 931 CB ASP A 63 -9.007 1.460 7.723 1.00 0.00 C ATOM 932 CG ASP A 63 -9.323 1.633 9.206 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.516 1.491 9.554 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.368 1.904 9.966 1.00 0.00 O ATOM 0 H ASP A 63 -8.698 1.585 5.306 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.426 2.929 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.558 0.605 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.947 1.240 7.599 1.00 0.00 H new ATOM 939 N MET A 64 -7.362 4.161 6.951 1.00 0.00 N ATOM 940 CA MET A 64 -6.602 5.371 7.261 1.00 0.00 C ATOM 941 C MET A 64 -7.401 6.613 6.857 1.00 0.00 C ATOM 942 O MET A 64 -7.529 7.544 7.650 1.00 0.00 O ATOM 943 CB MET A 64 -5.241 5.377 6.552 1.00 0.00 C ATOM 944 CG MET A 64 -4.270 4.325 7.088 1.00 0.00 C ATOM 945 SD MET A 64 -2.680 4.316 6.214 1.00 0.00 S ATOM 946 CE MET A 64 -2.360 2.538 6.165 1.00 0.00 C ATOM 0 H MET A 64 -6.866 3.503 6.350 1.00 0.00 H new ATOM 0 HA MET A 64 -6.425 5.385 8.336 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.395 5.209 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.790 6.364 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.094 4.507 8.148 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.729 3.340 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.413 2.353 5.658 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.309 2.149 7.182 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.165 2.038 5.626 1.00 0.00 H new ATOM 956 N GLY A 65 -7.939 6.609 5.631 1.00 0.00 N ATOM 957 CA GLY A 65 -8.826 7.646 5.123 1.00 0.00 C ATOM 958 C GLY A 65 -8.321 8.177 3.787 1.00 0.00 C ATOM 959 O GLY A 65 -8.060 9.371 3.657 1.00 0.00 O ATOM 0 H GLY A 65 -7.762 5.866 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.832 7.245 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.891 8.461 5.843 1.00 0.00 H new ATOM 963 N PHE A 66 -8.196 7.284 2.798 1.00 0.00 N ATOM 964 CA PHE A 66 -7.793 7.614 1.438 1.00 0.00 C ATOM 965 C PHE A 66 -8.630 6.789 0.466 1.00 0.00 C ATOM 966 O PHE A 66 -9.065 5.693 0.812 1.00 0.00 O ATOM 967 CB PHE A 66 -6.309 7.291 1.235 1.00 0.00 C ATOM 968 CG PHE A 66 -5.366 7.878 2.267 1.00 0.00 C ATOM 969 CD1 PHE A 66 -5.197 9.271 2.341 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.662 7.040 3.155 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.360 9.829 3.321 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.799 7.597 4.113 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.660 8.992 4.207 1.00 0.00 C ATOM 0 H PHE A 66 -8.378 6.289 2.931 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.948 8.678 1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.188 6.208 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.009 7.648 0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.712 9.914 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.786 5.969 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.254 10.901 3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.242 6.953 4.777 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.015 9.421 4.960 1.00 0.00 H new ATOM 983 N ASP A 67 -8.843 7.296 -0.753 1.00 0.00 N ATOM 984 CA ASP A 67 -9.527 6.551 -1.798 1.00 0.00 C ATOM 985 C ASP A 67 -8.585 5.455 -2.302 1.00 0.00 C ATOM 986 O ASP A 67 -7.682 5.726 -3.093 1.00 0.00 O ATOM 987 CB ASP A 67 -9.975 7.501 -2.914 1.00 0.00 C ATOM 988 CG ASP A 67 -10.582 6.737 -4.090 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.670 6.154 -3.887 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.949 6.745 -5.168 1.00 0.00 O ATOM 0 H ASP A 67 -8.545 8.230 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.430 6.078 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.707 8.207 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.122 8.086 -3.260 1.00 0.00 H new ATOM 995 N ALA A 68 -8.802 4.227 -1.816 1.00 0.00 N ATOM 996 CA ALA A 68 -7.958 3.073 -2.077 1.00 0.00 C ATOM 997 C ALA A 68 -8.587 2.213 -3.171 1.00 0.00 C ATOM 998 O ALA A 68 -9.721 1.759 -3.018 1.00 0.00 O ATOM 999 CB ALA A 68 -7.811 2.265 -0.786 1.00 0.00 C ATOM 0 H ALA A 68 -9.596 4.011 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.974 3.399 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.179 1.396 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.355 2.888 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.794 1.934 -0.450 1.00 0.00 H new ATOM 1005 N THR A 69 -7.856 1.982 -4.268 1.00 0.00 N ATOM 1006 CA THR A 69 -8.306 1.124 -5.357 1.00 0.00 C ATOM 1007 C THR A 69 -7.097 0.478 -6.031 1.00 0.00 C ATOM 1008 O THR A 69 -6.045 1.103 -6.139 1.00 0.00 O ATOM 1009 CB THR A 69 -9.187 1.918 -6.336 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.722 1.049 -7.311 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.437 3.055 -7.038 1.00 0.00 C ATOM 0 H THR A 69 -6.933 2.389 -4.420 1.00 0.00 H new ATOM 0 HA THR A 69 -8.929 0.319 -4.967 1.00 0.00 H new ATOM 0 HB THR A 69 -9.980 2.371 -5.741 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.284 1.559 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.115 3.575 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.059 3.756 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.602 2.644 -7.606 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.240 -0.777 -6.475 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.165 -1.509 -7.129 1.00 0.00 C ATOM 1021 C LEU A 70 -5.843 -0.857 -8.474 1.00 0.00 C ATOM 1022 O LEU A 70 -6.752 -0.536 -9.238 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.552 -2.980 -7.337 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.975 -3.728 -6.060 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.185 -5.206 -6.405 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.937 -3.614 -4.938 1.00 0.00 C ATOM 0 H LEU A 70 -8.107 -1.307 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.283 -1.476 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.370 -3.027 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.706 -3.503 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.895 -3.271 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.485 -5.750 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.964 -5.296 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.255 -5.626 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.287 -4.160 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.990 -4.036 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.795 -2.565 -4.679 1.00 0.00 H new ATOM 1038 N SER A 71 -4.550 -0.671 -8.766 1.00 0.00 N ATOM 1039 CA SER A 71 -4.075 -0.116 -10.027 1.00 0.00 C ATOM 1040 C SER A 71 -3.837 -1.255 -11.027 1.00 0.00 C ATOM 1041 O SER A 71 -2.805 -1.303 -11.694 1.00 0.00 O ATOM 1042 CB SER A 71 -2.806 0.706 -9.764 1.00 0.00 C ATOM 1043 OG SER A 71 -2.624 1.664 -10.785 1.00 0.00 O ATOM 0 H SER A 71 -3.798 -0.907 -8.119 1.00 0.00 H new ATOM 0 HA SER A 71 -4.819 0.550 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.881 1.204 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.940 0.046 -9.716 1.00 0.00 H new ATOM 0 HG SER A 71 -2.581 1.212 -11.654 1.00 0.00 H new ATOM 1049 N ASP A 72 -4.799 -2.181 -11.111 1.00 0.00 N ATOM 1050 CA ASP A 72 -4.715 -3.418 -11.873 1.00 0.00 C ATOM 1051 C ASP A 72 -6.082 -4.103 -11.856 1.00 0.00 C ATOM 1052 O ASP A 72 -6.846 -3.839 -10.899 1.00 0.00 O ATOM 1053 CB ASP A 72 -3.631 -4.344 -11.296 1.00 0.00 C ATOM 1054 CG ASP A 72 -3.820 -4.625 -9.805 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -4.540 -5.598 -9.490 1.00 0.00 O ATOM 1056 OD2 ASP A 72 -3.236 -3.863 -9.003 1.00 0.00 O ATOM 1057 OXT ASP A 72 -6.339 -4.880 -12.800 1.00 0.00 O ATOM 0 H ASP A 72 -5.691 -2.078 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.436 -3.192 -12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.638 -5.287 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.652 -3.891 -11.454 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 -0.523 14.126 4.536 1.00 0.00 AG