USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 57 SER OG : rot -43:sc= -2.15! USER MOD Set 1.2: A 59 MET CE :methyl 170:sc= -2.14! (180deg=-2.25!) USER MOD Set 2.1: A 40 MET CE :methyl -107:sc= -4.31 (180deg=-9.91!) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= -0.289 USER MOD Set 3.1: A 23 ASN : amide:sc= -6.66! C(o=-9.8!,f=-20!) USER MOD Set 3.2: A 24 GLN : amide:sc= -3.18! C(o=-9.8!,f=-9.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 108:sc= 0.244 USER MOD Single : A 10 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.107 (180deg=-0.652) USER MOD Single : A 27 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 156:sc= -0.426 (180deg=-1.99!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 69:sc= 0.788 USER MOD Single : A 34 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.4!) USER MOD Single : A 39 ASN : amide:sc= -0.855 K(o=-0.86,f=-13!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.0339 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.96) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.704 -10.354 -11.802 1.00 0.00 N ATOM 2 CA GLY A 1 -16.703 -9.407 -12.262 1.00 0.00 C ATOM 3 C GLY A 1 -15.360 -9.649 -11.570 1.00 0.00 C ATOM 4 O GLY A 1 -14.633 -10.574 -11.926 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.606 -10.169 -12.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.389 -11.322 -12.014 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.835 -10.250 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.581 -9.497 -13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.041 -8.390 -12.063 1.00 0.00 H new ATOM 8 N SER A 2 -15.073 -8.800 -10.594 1.00 0.00 N ATOM 9 CA SER A 2 -13.830 -8.910 -9.849 1.00 0.00 C ATOM 10 C SER A 2 -13.880 -8.009 -8.613 1.00 0.00 C ATOM 11 O SER A 2 -14.442 -6.916 -8.659 1.00 0.00 O ATOM 12 CB SER A 2 -12.629 -8.545 -10.723 1.00 0.00 C ATOM 13 OG SER A 2 -12.708 -7.207 -11.207 1.00 0.00 O ATOM 0 H SER A 2 -15.679 -8.034 -10.302 1.00 0.00 H new ATOM 0 HA SER A 2 -13.712 -9.946 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.711 -8.669 -10.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.572 -9.233 -11.567 1.00 0.00 H new ATOM 0 HG SER A 2 -11.922 -7.012 -11.759 1.00 0.00 H new ATOM 19 N SER A 3 -13.284 -8.502 -7.537 1.00 0.00 N ATOM 20 CA SER A 3 -13.254 -7.755 -6.291 1.00 0.00 C ATOM 21 C SER A 3 -12.702 -6.349 -6.537 1.00 0.00 C ATOM 22 O SER A 3 -13.381 -5.358 -6.274 1.00 0.00 O ATOM 23 CB SER A 3 -12.413 -8.478 -5.236 1.00 0.00 C ATOM 24 OG SER A 3 -13.185 -9.412 -4.487 1.00 0.00 O ATOM 0 H SER A 3 -12.818 -9.409 -7.502 1.00 0.00 H new ATOM 0 HA SER A 3 -14.274 -7.677 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.588 -8.998 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.973 -7.746 -4.559 1.00 0.00 H new ATOM 0 HG SER A 3 -12.612 -9.854 -3.826 1.00 0.00 H new ATOM 30 N GLY A 4 -11.476 -6.308 -7.038 1.00 0.00 N ATOM 31 CA GLY A 4 -10.826 -5.041 -7.323 1.00 0.00 C ATOM 32 C GLY A 4 -9.408 -5.259 -7.855 1.00 0.00 C ATOM 33 O GLY A 4 -8.908 -6.382 -7.855 1.00 0.00 O ATOM 0 H GLY A 4 -10.916 -7.133 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.411 -4.485 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.789 -4.435 -6.418 1.00 0.00 H new ATOM 37 N SER A 5 -8.801 -4.166 -8.295 1.00 0.00 N ATOM 38 CA SER A 5 -7.451 -4.224 -8.828 1.00 0.00 C ATOM 39 C SER A 5 -6.512 -3.374 -7.970 1.00 0.00 C ATOM 40 O SER A 5 -6.387 -2.169 -8.188 1.00 0.00 O ATOM 41 CB SER A 5 -7.413 -3.753 -10.283 1.00 0.00 C ATOM 42 OG SER A 5 -8.303 -4.499 -11.110 1.00 0.00 O ATOM 0 H SER A 5 -9.219 -3.236 -8.293 1.00 0.00 H new ATOM 0 HA SER A 5 -7.117 -5.261 -8.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.676 -2.696 -10.329 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.397 -3.846 -10.668 1.00 0.00 H new ATOM 0 HG SER A 5 -8.250 -4.167 -12.030 1.00 0.00 H new ATOM 48 N SER A 6 -5.876 -4.033 -7.013 1.00 0.00 N ATOM 49 CA SER A 6 -4.953 -3.353 -6.121 1.00 0.00 C ATOM 50 C SER A 6 -3.809 -2.733 -6.927 1.00 0.00 C ATOM 51 O SER A 6 -3.072 -3.440 -7.611 1.00 0.00 O ATOM 52 CB SER A 6 -4.400 -4.311 -5.065 1.00 0.00 C ATOM 53 OG SER A 6 -3.773 -5.448 -5.652 1.00 0.00 O ATOM 0 H SER A 6 -5.982 -5.032 -6.836 1.00 0.00 H new ATOM 0 HA SER A 6 -5.496 -2.562 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.681 -3.784 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.210 -4.639 -4.414 1.00 0.00 H new ATOM 0 HG SER A 6 -2.801 -5.376 -5.547 1.00 0.00 H new ATOM 59 N GLY A 7 -3.697 -1.417 -6.818 1.00 0.00 N ATOM 60 CA GLY A 7 -2.656 -0.693 -7.527 1.00 0.00 C ATOM 61 C GLY A 7 -1.501 -0.335 -6.589 1.00 0.00 C ATOM 62 O GLY A 7 -1.155 0.836 -6.444 1.00 0.00 O ATOM 0 H GLY A 7 -4.310 -0.833 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.284 -1.300 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.072 0.216 -7.961 1.00 0.00 H new ATOM 66 N LEU A 8 -0.936 -1.366 -5.978 1.00 0.00 N ATOM 67 CA LEU A 8 0.172 -1.174 -5.058 1.00 0.00 C ATOM 68 C LEU A 8 1.321 -2.105 -5.450 1.00 0.00 C ATOM 69 O LEU A 8 2.476 -1.684 -5.504 1.00 0.00 O ATOM 70 CB LEU A 8 -0.295 -1.349 -3.612 1.00 0.00 C ATOM 71 CG LEU A 8 -0.895 -0.109 -2.946 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.082 0.424 -3.749 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.269 -0.396 -1.490 1.00 0.00 C ATOM 0 H LEU A 8 -1.225 -2.336 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 8 0.550 -0.154 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.037 -2.147 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.554 -1.683 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.137 0.674 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.490 1.305 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.751 0.692 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.852 -0.345 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.693 0.501 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.003 -1.201 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.378 -0.693 -0.937 1.00 0.00 H new ATOM 85 N ASP A 9 0.965 -3.354 -5.714 1.00 0.00 N ATOM 86 CA ASP A 9 1.952 -4.348 -6.100 1.00 0.00 C ATOM 87 C ASP A 9 2.864 -3.763 -7.179 1.00 0.00 C ATOM 88 O ASP A 9 4.034 -4.132 -7.275 1.00 0.00 O ATOM 89 CB ASP A 9 1.280 -5.597 -6.674 1.00 0.00 C ATOM 90 CG ASP A 9 0.164 -6.187 -5.810 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.677 -5.387 -5.346 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.178 -7.424 -5.632 1.00 0.00 O ATOM 0 H ASP A 9 0.007 -3.700 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 9 2.521 -4.621 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.869 -5.352 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.041 -6.362 -6.829 1.00 0.00 H new ATOM 97 N HIS A 10 2.295 -2.860 -7.965 1.00 0.00 N ATOM 98 CA HIS A 10 3.043 -2.221 -9.034 1.00 0.00 C ATOM 99 C HIS A 10 3.848 -1.050 -8.467 1.00 0.00 C ATOM 100 O HIS A 10 4.964 -0.786 -8.912 1.00 0.00 O ATOM 101 CB HIS A 10 2.111 -1.803 -10.173 1.00 0.00 C ATOM 102 CG HIS A 10 1.427 -0.475 -9.952 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.322 -0.328 -9.132 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.703 0.764 -10.451 1.00 0.00 C ATOM 105 CE1 HIS A 10 -0.042 0.945 -9.145 1.00 0.00 C ATOM 106 NE2 HIS A 10 0.814 1.621 -9.964 1.00 0.00 N ATOM 0 H HIS A 10 1.325 -2.556 -7.882 1.00 0.00 H new ATOM 0 HA HIS A 10 3.751 -2.930 -9.463 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.684 -1.755 -11.099 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.351 -2.573 -10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.509 1.007 -11.128 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.872 1.373 -8.602 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.777 2.620 -10.168 1.00 0.00 H new ATOM 114 N ILE A 11 3.251 -0.379 -7.493 1.00 0.00 N ATOM 115 CA ILE A 11 3.899 0.758 -6.861 1.00 0.00 C ATOM 116 C ILE A 11 5.308 0.355 -6.419 1.00 0.00 C ATOM 117 O ILE A 11 5.576 -0.822 -6.186 1.00 0.00 O ATOM 118 CB ILE A 11 3.032 1.306 -5.726 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.767 1.969 -6.274 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.834 2.253 -4.831 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.028 2.734 -5.174 1.00 0.00 C ATOM 0 H ILE A 11 2.326 -0.601 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 11 4.009 1.577 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 11 2.714 0.469 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.031 2.651 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.110 1.211 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.194 2.628 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.678 1.716 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.202 3.090 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.133 3.196 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.744 2.044 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.680 3.508 -4.768 1.00 0.00 H new ATOM 133 N THR A 12 6.170 1.356 -6.317 1.00 0.00 N ATOM 134 CA THR A 12 7.544 1.121 -5.908 1.00 0.00 C ATOM 135 C THR A 12 7.856 1.890 -4.622 1.00 0.00 C ATOM 136 O THR A 12 7.455 3.043 -4.471 1.00 0.00 O ATOM 137 CB THR A 12 8.457 1.497 -7.077 1.00 0.00 C ATOM 138 OG1 THR A 12 7.689 1.175 -8.234 1.00 0.00 O ATOM 139 CG2 THR A 12 9.683 0.587 -7.178 1.00 0.00 C ATOM 0 H THR A 12 5.943 2.331 -6.511 1.00 0.00 H new ATOM 0 HA THR A 12 7.712 0.070 -5.671 1.00 0.00 H new ATOM 0 HB THR A 12 8.781 2.532 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.205 1.389 -9.039 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.297 0.897 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.266 0.659 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.360 -0.444 -7.323 1.00 0.00 H new ATOM 147 N VAL A 13 8.570 1.221 -3.729 1.00 0.00 N ATOM 148 CA VAL A 13 8.941 1.826 -2.461 1.00 0.00 C ATOM 149 C VAL A 13 10.438 2.141 -2.470 1.00 0.00 C ATOM 150 O VAL A 13 11.247 1.316 -2.894 1.00 0.00 O ATOM 151 CB VAL A 13 8.528 0.914 -1.305 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.863 1.553 0.045 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.042 0.560 -1.390 1.00 0.00 C ATOM 0 H VAL A 13 8.902 0.265 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 13 8.412 2.768 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 13 9.098 -0.011 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.559 0.884 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.937 1.731 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.332 2.500 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.774 -0.089 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.447 1.472 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.844 0.044 -2.330 1.00 0.00 H new ATOM 163 N VAL A 14 10.762 3.335 -1.996 1.00 0.00 N ATOM 164 CA VAL A 14 12.148 3.768 -1.943 1.00 0.00 C ATOM 165 C VAL A 14 12.849 3.081 -0.769 1.00 0.00 C ATOM 166 O VAL A 14 12.389 3.166 0.369 1.00 0.00 O ATOM 167 CB VAL A 14 12.217 5.294 -1.870 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.602 5.760 -1.416 1.00 0.00 C ATOM 169 CG2 VAL A 14 11.839 5.925 -3.212 1.00 0.00 C ATOM 0 H VAL A 14 10.089 4.016 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 14 12.674 3.475 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 14 11.492 5.626 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.623 6.849 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.817 5.353 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.354 5.410 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.896 7.011 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.528 5.581 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.823 5.634 -3.478 1.00 0.00 H new ATOM 179 N THR A 15 13.950 2.415 -1.085 1.00 0.00 N ATOM 180 CA THR A 15 14.718 1.714 -0.071 1.00 0.00 C ATOM 181 C THR A 15 16.200 2.078 -0.178 1.00 0.00 C ATOM 182 O THR A 15 16.583 2.898 -1.011 1.00 0.00 O ATOM 183 CB THR A 15 14.447 0.216 -0.224 1.00 0.00 C ATOM 184 OG1 THR A 15 14.719 -0.048 -1.597 1.00 0.00 O ATOM 185 CG2 THR A 15 12.965 -0.130 -0.064 1.00 0.00 C ATOM 0 H THR A 15 14.328 2.346 -2.030 1.00 0.00 H new ATOM 0 HA THR A 15 14.414 2.013 0.932 1.00 0.00 H new ATOM 0 HB THR A 15 15.030 -0.335 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.570 -0.999 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.828 -1.205 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.626 0.173 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.385 0.395 -0.823 1.00 0.00 H new ATOM 193 N ALA A 16 16.994 1.448 0.676 1.00 0.00 N ATOM 194 CA ALA A 16 18.426 1.695 0.687 1.00 0.00 C ATOM 195 C ALA A 16 18.996 1.430 -0.708 1.00 0.00 C ATOM 196 O ALA A 16 19.626 2.304 -1.301 1.00 0.00 O ATOM 197 CB ALA A 16 19.086 0.828 1.761 1.00 0.00 C ATOM 0 H ALA A 16 16.673 0.767 1.365 1.00 0.00 H new ATOM 0 HA ALA A 16 18.634 2.736 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 16 20.160 1.013 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.668 1.076 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.901 -0.224 1.544 1.00 0.00 H new ATOM 203 N ASP A 17 18.755 0.220 -1.191 1.00 0.00 N ATOM 204 CA ASP A 17 19.236 -0.171 -2.505 1.00 0.00 C ATOM 205 C ASP A 17 18.798 0.871 -3.535 1.00 0.00 C ATOM 206 O ASP A 17 19.622 1.398 -4.280 1.00 0.00 O ATOM 207 CB ASP A 17 18.656 -1.523 -2.924 1.00 0.00 C ATOM 208 CG ASP A 17 19.693 -2.586 -3.292 1.00 0.00 C ATOM 209 OD1 ASP A 17 20.786 -2.546 -2.686 1.00 0.00 O ATOM 210 OD2 ASP A 17 19.370 -3.414 -4.171 1.00 0.00 O ATOM 0 H ASP A 17 18.233 -0.503 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 17 20.323 -0.244 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.040 -1.905 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.997 -1.369 -3.778 1.00 0.00 H new ATOM 215 N GLY A 18 17.500 1.138 -3.544 1.00 0.00 N ATOM 216 CA GLY A 18 16.942 2.108 -4.470 1.00 0.00 C ATOM 217 C GLY A 18 15.412 2.092 -4.426 1.00 0.00 C ATOM 218 O GLY A 18 14.810 2.613 -3.488 1.00 0.00 O ATOM 0 H GLY A 18 16.819 0.699 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.306 3.105 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.283 1.888 -5.482 1.00 0.00 H new ATOM 222 N LYS A 19 14.829 1.489 -5.451 1.00 0.00 N ATOM 223 CA LYS A 19 13.381 1.399 -5.541 1.00 0.00 C ATOM 224 C LYS A 19 12.978 -0.061 -5.757 1.00 0.00 C ATOM 225 O LYS A 19 13.485 -0.721 -6.663 1.00 0.00 O ATOM 226 CB LYS A 19 12.850 2.349 -6.616 1.00 0.00 C ATOM 227 CG LYS A 19 12.430 3.688 -6.005 1.00 0.00 C ATOM 228 CD LYS A 19 10.946 3.679 -5.633 1.00 0.00 C ATOM 229 CE LYS A 19 10.240 4.927 -6.168 1.00 0.00 C ATOM 230 NZ LYS A 19 10.304 4.965 -7.646 1.00 0.00 N ATOM 0 H LYS A 19 15.332 1.058 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 19 12.921 1.723 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.618 2.515 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.999 1.893 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.030 3.891 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.626 4.493 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.471 2.786 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.839 3.633 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.200 4.931 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.707 5.821 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.457 5.441 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.153 5.487 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.346 3.994 -8.017 1.00 0.00 H new ATOM 244 N VAL A 20 12.071 -0.523 -4.910 1.00 0.00 N ATOM 245 CA VAL A 20 11.594 -1.893 -4.997 1.00 0.00 C ATOM 246 C VAL A 20 10.066 -1.893 -5.074 1.00 0.00 C ATOM 247 O VAL A 20 9.423 -0.909 -4.712 1.00 0.00 O ATOM 248 CB VAL A 20 12.133 -2.711 -3.821 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.661 -2.779 -3.855 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.639 -2.145 -2.488 1.00 0.00 C ATOM 0 H VAL A 20 11.653 0.027 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 20 11.965 -2.369 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 20 11.750 -3.727 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.018 -3.366 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.984 -3.249 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.071 -1.771 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.036 -2.744 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.979 -1.115 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.550 -2.172 -2.462 1.00 0.00 H new ATOM 260 N ALA A 21 9.530 -3.007 -5.549 1.00 0.00 N ATOM 261 CA ALA A 21 8.089 -3.148 -5.679 1.00 0.00 C ATOM 262 C ALA A 21 7.475 -3.364 -4.294 1.00 0.00 C ATOM 263 O ALA A 21 8.063 -4.038 -3.449 1.00 0.00 O ATOM 264 CB ALA A 21 7.773 -4.294 -6.642 1.00 0.00 C ATOM 0 H ALA A 21 10.067 -3.821 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 21 7.651 -2.241 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.693 -4.400 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.206 -4.078 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.195 -5.221 -6.255 1.00 0.00 H new ATOM 270 N LEU A 22 6.302 -2.780 -4.105 1.00 0.00 N ATOM 271 CA LEU A 22 5.602 -2.900 -2.837 1.00 0.00 C ATOM 272 C LEU A 22 5.431 -4.381 -2.492 1.00 0.00 C ATOM 273 O LEU A 22 5.202 -4.729 -1.335 1.00 0.00 O ATOM 274 CB LEU A 22 4.285 -2.122 -2.876 1.00 0.00 C ATOM 275 CG LEU A 22 4.054 -1.135 -1.730 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.631 -0.576 -1.766 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.384 -1.776 -0.380 1.00 0.00 C ATOM 0 H LEU A 22 5.818 -2.222 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 22 6.187 -2.451 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.238 -1.573 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.463 -2.838 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 22 4.734 -0.293 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.494 0.123 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.467 -0.058 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.916 -1.394 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.211 -1.054 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.747 -2.647 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.429 -2.085 -0.370 1.00 0.00 H new ATOM 289 N ASN A 23 5.550 -5.212 -3.516 1.00 0.00 N ATOM 290 CA ASN A 23 5.412 -6.647 -3.336 1.00 0.00 C ATOM 291 C ASN A 23 6.793 -7.262 -3.099 1.00 0.00 C ATOM 292 O ASN A 23 7.023 -8.426 -3.424 1.00 0.00 O ATOM 293 CB ASN A 23 4.810 -7.303 -4.580 1.00 0.00 C ATOM 294 CG ASN A 23 5.765 -7.202 -5.770 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.914 -6.811 -5.646 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.228 -7.575 -6.928 1.00 0.00 N ATOM 0 H ASN A 23 5.741 -4.919 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 23 4.754 -6.818 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.591 -8.350 -4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.864 -6.822 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.785 -7.544 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.259 -7.893 -6.962 1.00 0.00 H new ATOM 303 N GLN A 24 7.677 -6.453 -2.533 1.00 0.00 N ATOM 304 CA GLN A 24 9.029 -6.902 -2.249 1.00 0.00 C ATOM 305 C GLN A 24 9.348 -6.720 -0.764 1.00 0.00 C ATOM 306 O GLN A 24 9.724 -7.673 -0.084 1.00 0.00 O ATOM 307 CB GLN A 24 10.047 -6.167 -3.123 1.00 0.00 C ATOM 308 CG GLN A 24 9.637 -6.209 -4.596 1.00 0.00 C ATOM 309 CD GLN A 24 9.627 -7.646 -5.122 1.00 0.00 C ATOM 310 OE1 GLN A 24 10.036 -8.581 -4.454 1.00 0.00 O ATOM 311 NE2 GLN A 24 9.139 -7.768 -6.353 1.00 0.00 N ATOM 0 H GLN A 24 7.483 -5.489 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 24 9.095 -7.964 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.132 -5.131 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.030 -6.621 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.647 -5.768 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.327 -5.607 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.813 -6.943 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.090 -8.687 -6.794 1.00 0.00 H new ATOM 320 N ILE A 25 9.185 -5.488 -0.303 1.00 0.00 N ATOM 321 CA ILE A 25 9.451 -5.168 1.089 1.00 0.00 C ATOM 322 C ILE A 25 8.334 -5.743 1.962 1.00 0.00 C ATOM 323 O ILE A 25 8.575 -6.147 3.099 1.00 0.00 O ATOM 324 CB ILE A 25 9.654 -3.662 1.263 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.338 -2.905 1.069 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.754 -3.145 0.334 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.530 -1.404 1.296 1.00 0.00 C ATOM 0 H ILE A 25 8.872 -4.700 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 25 10.382 -5.631 1.415 1.00 0.00 H new ATOM 0 HB ILE A 25 9.984 -3.479 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.960 -3.079 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.588 -3.288 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.877 -2.072 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.691 -3.652 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.478 -3.342 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.580 -0.890 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.885 -1.232 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.262 -1.019 0.586 1.00 0.00 H new ATOM 339 N GLY A 26 7.135 -5.763 1.397 1.00 0.00 N ATOM 340 CA GLY A 26 5.981 -6.282 2.110 1.00 0.00 C ATOM 341 C GLY A 26 5.186 -7.252 1.234 1.00 0.00 C ATOM 342 O GLY A 26 5.242 -7.175 0.007 1.00 0.00 O ATOM 0 H GLY A 26 6.939 -5.428 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.308 -6.790 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.339 -5.457 2.420 1.00 0.00 H new ATOM 346 N GLN A 27 4.465 -8.144 1.897 1.00 0.00 N ATOM 347 CA GLN A 27 3.660 -9.128 1.194 1.00 0.00 C ATOM 348 C GLN A 27 2.212 -8.647 1.082 1.00 0.00 C ATOM 349 O GLN A 27 1.470 -8.666 2.063 1.00 0.00 O ATOM 350 CB GLN A 27 3.733 -10.491 1.885 1.00 0.00 C ATOM 351 CG GLN A 27 4.191 -11.577 0.909 1.00 0.00 C ATOM 352 CD GLN A 27 3.040 -12.019 0.002 1.00 0.00 C ATOM 353 OE1 GLN A 27 2.337 -12.979 0.271 1.00 0.00 O ATOM 354 NE2 GLN A 27 2.888 -11.268 -1.085 1.00 0.00 N ATOM 0 H GLN A 27 4.422 -8.206 2.914 1.00 0.00 H new ATOM 0 HA GLN A 27 4.062 -9.246 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.423 -10.439 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.755 -10.750 2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.014 -11.201 0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.571 -12.434 1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.512 -10.478 -1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.148 -11.482 -1.753 1.00 0.00 H new ATOM 363 N ILE A 28 1.852 -8.229 -0.122 1.00 0.00 N ATOM 364 CA ILE A 28 0.506 -7.744 -0.375 1.00 0.00 C ATOM 365 C ILE A 28 -0.438 -8.936 -0.540 1.00 0.00 C ATOM 366 O ILE A 28 -0.141 -9.870 -1.283 1.00 0.00 O ATOM 367 CB ILE A 28 0.497 -6.784 -1.566 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.280 -5.508 -1.248 1.00 0.00 C ATOM 369 CG2 ILE A 28 -0.934 -6.481 -2.016 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.056 -5.021 -2.473 1.00 0.00 C ATOM 0 H ILE A 28 2.469 -8.216 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 28 0.144 -7.165 0.475 1.00 0.00 H new ATOM 0 HB ILE A 28 1.001 -7.271 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.594 -4.730 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.971 -5.696 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.912 -5.796 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.427 -7.408 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.485 -6.023 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.603 -4.113 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.759 -5.792 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.360 -4.810 -3.285 1.00 0.00 H new ATOM 382 N SER A 29 -1.558 -8.866 0.166 1.00 0.00 N ATOM 383 CA SER A 29 -2.547 -9.928 0.108 1.00 0.00 C ATOM 384 C SER A 29 -3.947 -9.352 0.333 1.00 0.00 C ATOM 385 O SER A 29 -4.318 -9.039 1.464 1.00 0.00 O ATOM 386 CB SER A 29 -2.249 -11.017 1.140 1.00 0.00 C ATOM 387 OG SER A 29 -2.993 -12.206 0.893 1.00 0.00 O ATOM 0 H SER A 29 -1.802 -8.090 0.781 1.00 0.00 H new ATOM 0 HA SER A 29 -2.502 -10.382 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.184 -11.247 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.482 -10.644 2.137 1.00 0.00 H new ATOM 0 HG SER A 29 -2.773 -12.877 1.573 1.00 0.00 H new ATOM 393 N MET A 30 -4.685 -9.230 -0.760 1.00 0.00 N ATOM 394 CA MET A 30 -6.035 -8.697 -0.695 1.00 0.00 C ATOM 395 C MET A 30 -6.968 -9.656 0.048 1.00 0.00 C ATOM 396 O MET A 30 -7.649 -10.471 -0.573 1.00 0.00 O ATOM 397 CB MET A 30 -6.563 -8.469 -2.114 1.00 0.00 C ATOM 398 CG MET A 30 -6.719 -6.975 -2.406 1.00 0.00 C ATOM 399 SD MET A 30 -8.345 -6.649 -3.066 1.00 0.00 S ATOM 400 CE MET A 30 -8.766 -5.181 -2.141 1.00 0.00 C ATOM 0 H MET A 30 -4.374 -9.491 -1.696 1.00 0.00 H new ATOM 0 HA MET A 30 -6.007 -7.753 -0.152 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.880 -8.915 -2.836 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.524 -8.969 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.566 -6.400 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.958 -6.653 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.512 -4.606 -2.690 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.170 -5.466 -1.170 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.873 -4.573 -1.998 1.00 0.00 H new ATOM 410 N LYS A 31 -6.969 -9.527 1.366 1.00 0.00 N ATOM 411 CA LYS A 31 -7.806 -10.371 2.201 1.00 0.00 C ATOM 412 C LYS A 31 -9.161 -9.692 2.408 1.00 0.00 C ATOM 413 O LYS A 31 -10.163 -10.361 2.657 1.00 0.00 O ATOM 414 CB LYS A 31 -7.086 -10.718 3.505 1.00 0.00 C ATOM 415 CG LYS A 31 -7.990 -11.538 4.429 1.00 0.00 C ATOM 416 CD LYS A 31 -7.902 -13.030 4.100 1.00 0.00 C ATOM 417 CE LYS A 31 -6.530 -13.594 4.475 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.021 -14.476 3.402 1.00 0.00 N ATOM 0 H LYS A 31 -6.403 -8.850 1.877 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.998 -11.324 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.179 -11.281 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.779 -9.802 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.700 -11.373 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.021 -11.200 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.681 -13.571 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.084 -13.183 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.829 -12.777 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.602 -14.152 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.089 -14.850 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.683 -15.265 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.933 -13.933 2.519 1.00 0.00 H new ATOM 432 N SER A 32 -9.149 -8.372 2.299 1.00 0.00 N ATOM 433 CA SER A 32 -10.364 -7.595 2.472 1.00 0.00 C ATOM 434 C SER A 32 -10.962 -7.248 1.106 1.00 0.00 C ATOM 435 O SER A 32 -10.378 -7.563 0.071 1.00 0.00 O ATOM 436 CB SER A 32 -10.094 -6.319 3.272 1.00 0.00 C ATOM 437 OG SER A 32 -8.730 -6.219 3.673 1.00 0.00 O ATOM 0 H SER A 32 -8.316 -7.820 2.093 1.00 0.00 H new ATOM 0 HA SER A 32 -11.078 -8.198 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.359 -5.450 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.734 -6.302 4.155 1.00 0.00 H new ATOM 0 HG SER A 32 -8.167 -6.072 2.884 1.00 0.00 H new ATOM 443 N PRO A 33 -12.149 -6.586 1.150 1.00 0.00 N ATOM 444 CA PRO A 33 -12.832 -6.193 -0.071 1.00 0.00 C ATOM 445 C PRO A 33 -12.146 -4.989 -0.719 1.00 0.00 C ATOM 446 O PRO A 33 -11.775 -5.039 -1.891 1.00 0.00 O ATOM 447 CB PRO A 33 -14.263 -5.904 0.355 1.00 0.00 C ATOM 448 CG PRO A 33 -14.216 -5.695 1.860 1.00 0.00 C ATOM 449 CD PRO A 33 -12.871 -6.197 2.358 1.00 0.00 C ATOM 0 HA PRO A 33 -12.807 -6.969 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.650 -5.019 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.922 -6.732 0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.344 -4.640 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.029 -6.235 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.337 -5.421 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.990 -7.041 3.037 1.00 0.00 H new ATOM 457 N GLN A 34 -11.999 -3.936 0.071 1.00 0.00 N ATOM 458 CA GLN A 34 -11.365 -2.721 -0.412 1.00 0.00 C ATOM 459 C GLN A 34 -10.267 -2.275 0.556 1.00 0.00 C ATOM 460 O GLN A 34 -10.141 -1.089 0.853 1.00 0.00 O ATOM 461 CB GLN A 34 -12.395 -1.610 -0.622 1.00 0.00 C ATOM 462 CG GLN A 34 -13.004 -1.685 -2.023 1.00 0.00 C ATOM 463 CD GLN A 34 -14.129 -0.660 -2.188 1.00 0.00 C ATOM 464 OE1 GLN A 34 -14.121 0.408 -1.598 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.093 -1.044 -3.019 1.00 0.00 N ATOM 0 H GLN A 34 -12.308 -3.899 1.042 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.907 -2.933 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.183 -1.694 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.922 -0.639 -0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.231 -1.505 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.392 -2.688 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.037 -1.952 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.889 -0.431 -3.195 1.00 0.00 H new ATOM 474 N VAL A 35 -9.500 -3.251 1.020 1.00 0.00 N ATOM 475 CA VAL A 35 -8.416 -2.974 1.948 1.00 0.00 C ATOM 476 C VAL A 35 -7.286 -3.979 1.721 1.00 0.00 C ATOM 477 O VAL A 35 -7.469 -5.179 1.918 1.00 0.00 O ATOM 478 CB VAL A 35 -8.943 -2.981 3.384 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.791 -2.963 4.391 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.899 -1.811 3.624 1.00 0.00 C ATOM 0 H VAL A 35 -9.608 -4.234 0.771 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.006 -1.980 1.771 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.502 -3.905 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.193 -2.968 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.166 -3.844 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.192 -2.064 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.259 -1.840 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.375 -0.871 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.745 -1.887 2.941 1.00 0.00 H new ATOM 490 N ILE A 36 -6.142 -3.452 1.308 1.00 0.00 N ATOM 491 CA ILE A 36 -4.982 -4.289 1.052 1.00 0.00 C ATOM 492 C ILE A 36 -4.180 -4.451 2.345 1.00 0.00 C ATOM 493 O ILE A 36 -4.014 -3.495 3.101 1.00 0.00 O ATOM 494 CB ILE A 36 -4.164 -3.728 -0.113 1.00 0.00 C ATOM 495 CG1 ILE A 36 -4.868 -3.978 -1.448 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.740 -4.287 -0.102 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.073 -2.669 -2.213 1.00 0.00 C ATOM 0 H ILE A 36 -5.994 -2.456 1.144 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.293 -5.287 0.742 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.087 -2.648 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.277 -4.667 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.832 -4.455 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.180 -3.872 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.249 -4.015 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.775 -5.373 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.575 -2.875 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.684 -1.991 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.105 -2.207 -2.409 1.00 0.00 H new ATOM 509 N LEU A 37 -3.704 -5.669 2.559 1.00 0.00 N ATOM 510 CA LEU A 37 -2.924 -5.969 3.747 1.00 0.00 C ATOM 511 C LEU A 37 -1.502 -6.354 3.335 1.00 0.00 C ATOM 512 O LEU A 37 -1.310 -7.274 2.541 1.00 0.00 O ATOM 513 CB LEU A 37 -3.626 -7.031 4.596 1.00 0.00 C ATOM 514 CG LEU A 37 -4.928 -6.595 5.272 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.623 -7.783 5.940 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.678 -5.451 6.257 1.00 0.00 C ATOM 0 H LEU A 37 -3.844 -6.459 1.930 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.845 -5.087 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.839 -7.892 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.934 -7.367 5.368 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.602 -6.217 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.545 -7.446 6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.855 -8.538 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.964 -8.213 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.619 -5.160 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.978 -5.779 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.258 -4.598 5.725 1.00 0.00 H new ATOM 528 N VAL A 38 -0.542 -5.631 3.892 1.00 0.00 N ATOM 529 CA VAL A 38 0.857 -5.885 3.591 1.00 0.00 C ATOM 530 C VAL A 38 1.579 -6.314 4.870 1.00 0.00 C ATOM 531 O VAL A 38 1.455 -5.662 5.906 1.00 0.00 O ATOM 532 CB VAL A 38 1.484 -4.653 2.936 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.791 -5.014 2.228 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.502 -3.987 1.969 1.00 0.00 C ATOM 0 H VAL A 38 -0.705 -4.869 4.550 1.00 0.00 H new ATOM 0 HA VAL A 38 0.951 -6.701 2.874 1.00 0.00 H new ATOM 0 HB VAL A 38 1.717 -3.936 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.216 -4.120 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.496 -5.422 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.593 -5.757 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.972 -3.114 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.224 -4.695 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.391 -3.678 2.513 1.00 0.00 H new ATOM 544 N ASN A 39 2.317 -7.409 4.756 1.00 0.00 N ATOM 545 CA ASN A 39 3.059 -7.933 5.891 1.00 0.00 C ATOM 546 C ASN A 39 4.535 -7.559 5.745 1.00 0.00 C ATOM 547 O ASN A 39 5.237 -8.107 4.896 1.00 0.00 O ATOM 548 CB ASN A 39 2.961 -9.458 5.956 1.00 0.00 C ATOM 549 CG ASN A 39 3.660 -10.000 7.204 1.00 0.00 C ATOM 550 OD1 ASN A 39 4.233 -9.267 7.993 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.582 -11.321 7.337 1.00 0.00 N ATOM 0 H ASN A 39 2.417 -7.948 3.896 1.00 0.00 H new ATOM 0 HA ASN A 39 2.634 -7.506 6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.913 -9.759 5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.412 -9.893 5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.018 -11.780 8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.086 -11.875 6.639 1.00 0.00 H new ATOM 558 N MET A 40 4.964 -6.630 6.587 1.00 0.00 N ATOM 559 CA MET A 40 6.344 -6.178 6.563 1.00 0.00 C ATOM 560 C MET A 40 7.168 -6.872 7.649 1.00 0.00 C ATOM 561 O MET A 40 8.144 -6.312 8.146 1.00 0.00 O ATOM 562 CB MET A 40 6.389 -4.664 6.778 1.00 0.00 C ATOM 563 CG MET A 40 5.514 -3.938 5.753 1.00 0.00 C ATOM 564 SD MET A 40 6.360 -3.848 4.183 1.00 0.00 S ATOM 565 CE MET A 40 7.710 -2.765 4.621 1.00 0.00 C ATOM 0 H MET A 40 4.379 -6.178 7.290 1.00 0.00 H new ATOM 0 HA MET A 40 6.772 -6.430 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.048 -4.426 7.786 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.418 -4.312 6.698 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.566 -4.463 5.635 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.281 -2.934 6.108 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.545 -1.782 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.765 -2.672 5.706 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.645 -3.179 4.245 1.00 0.00 H new ATOM 575 N ALA A 41 6.744 -8.081 7.986 1.00 0.00 N ATOM 576 CA ALA A 41 7.431 -8.858 9.004 1.00 0.00 C ATOM 577 C ALA A 41 8.865 -9.134 8.549 1.00 0.00 C ATOM 578 O ALA A 41 9.708 -9.535 9.350 1.00 0.00 O ATOM 579 CB ALA A 41 6.649 -10.144 9.279 1.00 0.00 C ATOM 0 H ALA A 41 5.933 -8.542 7.572 1.00 0.00 H new ATOM 0 HA ALA A 41 7.484 -8.302 9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.164 -10.727 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.647 -9.893 9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.578 -10.729 8.362 1.00 0.00 H new ATOM 585 N SER A 42 9.098 -8.907 7.265 1.00 0.00 N ATOM 586 CA SER A 42 10.416 -9.126 6.693 1.00 0.00 C ATOM 587 C SER A 42 11.130 -7.787 6.496 1.00 0.00 C ATOM 588 O SER A 42 12.331 -7.752 6.234 1.00 0.00 O ATOM 589 CB SER A 42 10.322 -9.878 5.364 1.00 0.00 C ATOM 590 OG SER A 42 10.824 -11.208 5.467 1.00 0.00 O ATOM 0 H SER A 42 8.396 -8.574 6.604 1.00 0.00 H new ATOM 0 HA SER A 42 10.992 -9.739 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.283 -9.907 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.882 -9.337 4.601 1.00 0.00 H new ATOM 0 HG SER A 42 10.745 -11.656 4.599 1.00 0.00 H new ATOM 596 N PHE A 43 10.360 -6.717 6.629 1.00 0.00 N ATOM 597 CA PHE A 43 10.903 -5.379 6.469 1.00 0.00 C ATOM 598 C PHE A 43 10.196 -4.385 7.393 1.00 0.00 C ATOM 599 O PHE A 43 9.509 -3.479 6.925 1.00 0.00 O ATOM 600 CB PHE A 43 10.659 -4.968 5.015 1.00 0.00 C ATOM 601 CG PHE A 43 11.356 -5.865 3.990 1.00 0.00 C ATOM 602 CD1 PHE A 43 10.860 -7.102 3.720 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.472 -5.425 3.349 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.507 -7.934 2.768 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.119 -6.257 2.397 1.00 0.00 C ATOM 606 CZ PHE A 43 12.623 -7.494 2.127 1.00 0.00 C ATOM 0 H PHE A 43 9.364 -6.750 6.846 1.00 0.00 H new ATOM 0 HA PHE A 43 11.964 -5.376 6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.586 -4.977 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.000 -3.942 4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.974 -7.452 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.866 -4.443 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.113 -8.916 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.005 -5.907 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.115 -8.127 1.404 1.00 0.00 H new ATOM 616 N PRO A 44 10.394 -4.595 8.722 1.00 0.00 N ATOM 617 CA PRO A 44 9.783 -3.729 9.715 1.00 0.00 C ATOM 618 C PRO A 44 10.505 -2.381 9.785 1.00 0.00 C ATOM 619 O PRO A 44 10.072 -1.478 10.499 1.00 0.00 O ATOM 620 CB PRO A 44 9.856 -4.510 11.017 1.00 0.00 C ATOM 621 CG PRO A 44 10.915 -5.580 10.802 1.00 0.00 C ATOM 622 CD PRO A 44 11.201 -5.659 9.311 1.00 0.00 C ATOM 0 HA PRO A 44 8.750 -3.477 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.122 -3.858 11.849 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.892 -4.957 11.259 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.823 -5.334 11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.566 -6.543 11.175 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.261 -5.513 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.928 -6.634 8.906 1.00 0.00 H new ATOM 630 N GLU A 45 11.592 -2.289 9.035 1.00 0.00 N ATOM 631 CA GLU A 45 12.378 -1.067 9.003 1.00 0.00 C ATOM 632 C GLU A 45 12.056 -0.262 7.742 1.00 0.00 C ATOM 633 O GLU A 45 12.436 0.903 7.631 1.00 0.00 O ATOM 634 CB GLU A 45 13.874 -1.375 9.089 1.00 0.00 C ATOM 635 CG GLU A 45 14.441 -1.730 7.713 1.00 0.00 C ATOM 636 CD GLU A 45 15.547 -2.781 7.830 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.222 -3.897 8.291 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.691 -2.445 7.457 1.00 0.00 O ATOM 0 H GLU A 45 11.948 -3.041 8.444 1.00 0.00 H new ATOM 0 HA GLU A 45 12.114 -0.465 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.404 -0.512 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.039 -2.202 9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.643 -2.106 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.836 -0.833 7.236 1.00 0.00 H new ATOM 645 N CYS A 46 11.357 -0.913 6.825 1.00 0.00 N ATOM 646 CA CYS A 46 10.979 -0.272 5.576 1.00 0.00 C ATOM 647 C CYS A 46 9.455 -0.143 5.545 1.00 0.00 C ATOM 648 O CYS A 46 8.863 0.014 4.478 1.00 0.00 O ATOM 649 CB CYS A 46 11.512 -1.038 4.364 1.00 0.00 C ATOM 650 SG CYS A 46 13.066 -0.272 3.774 1.00 0.00 S ATOM 0 H CYS A 46 11.042 -1.878 6.921 1.00 0.00 H new ATOM 0 HA CYS A 46 11.428 0.720 5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.689 -2.080 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.769 -1.035 3.566 1.00 0.00 H new ATOM 0 HG CYS A 46 13.512 -0.931 2.746 1.00 0.00 H new ATOM 656 N THR A 47 8.862 -0.214 6.728 1.00 0.00 N ATOM 657 CA THR A 47 7.418 -0.107 6.850 1.00 0.00 C ATOM 658 C THR A 47 6.940 1.255 6.342 1.00 0.00 C ATOM 659 O THR A 47 6.156 1.329 5.397 1.00 0.00 O ATOM 660 CB THR A 47 7.045 -0.376 8.309 1.00 0.00 C ATOM 661 OG1 THR A 47 7.413 -1.738 8.515 1.00 0.00 O ATOM 662 CG2 THR A 47 5.533 -0.360 8.539 1.00 0.00 C ATOM 0 H THR A 47 9.356 -0.344 7.611 1.00 0.00 H new ATOM 0 HA THR A 47 6.913 -0.847 6.229 1.00 0.00 H new ATOM 0 HB THR A 47 7.517 0.370 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.207 -1.997 9.438 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.323 -0.556 9.590 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.134 0.617 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.063 -1.129 7.926 1.00 0.00 H new ATOM 670 N ALA A 48 7.433 2.299 6.992 1.00 0.00 N ATOM 671 CA ALA A 48 7.065 3.655 6.618 1.00 0.00 C ATOM 672 C ALA A 48 7.292 3.844 5.117 1.00 0.00 C ATOM 673 O ALA A 48 6.409 4.325 4.408 1.00 0.00 O ATOM 674 CB ALA A 48 7.866 4.651 7.460 1.00 0.00 C ATOM 0 H ALA A 48 8.084 2.234 7.775 1.00 0.00 H new ATOM 0 HA ALA A 48 6.009 3.836 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.591 5.668 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.647 4.493 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.931 4.502 7.284 1.00 0.00 H new ATOM 680 N ALA A 49 8.480 3.456 4.677 1.00 0.00 N ATOM 681 CA ALA A 49 8.834 3.578 3.273 1.00 0.00 C ATOM 682 C ALA A 49 7.617 3.230 2.413 1.00 0.00 C ATOM 683 O ALA A 49 7.154 4.053 1.625 1.00 0.00 O ATOM 684 CB ALA A 49 10.037 2.683 2.970 1.00 0.00 C ATOM 0 H ALA A 49 9.209 3.057 5.268 1.00 0.00 H new ATOM 0 HA ALA A 49 9.123 4.602 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.302 2.775 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.883 2.990 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.784 1.646 3.192 1.00 0.00 H new ATOM 690 N ALA A 50 7.135 2.009 2.593 1.00 0.00 N ATOM 691 CA ALA A 50 5.982 1.541 1.843 1.00 0.00 C ATOM 692 C ALA A 50 4.885 2.607 1.887 1.00 0.00 C ATOM 693 O ALA A 50 4.515 3.165 0.856 1.00 0.00 O ATOM 694 CB ALA A 50 5.514 0.199 2.409 1.00 0.00 C ATOM 0 H ALA A 50 7.522 1.329 3.248 1.00 0.00 H new ATOM 0 HA ALA A 50 6.244 1.379 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.649 -0.152 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.320 -0.531 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.239 0.322 3.457 1.00 0.00 H new ATOM 700 N ILE A 51 4.395 2.857 3.093 1.00 0.00 N ATOM 701 CA ILE A 51 3.348 3.845 3.285 1.00 0.00 C ATOM 702 C ILE A 51 3.626 5.057 2.393 1.00 0.00 C ATOM 703 O ILE A 51 2.804 5.415 1.552 1.00 0.00 O ATOM 704 CB ILE A 51 3.205 4.193 4.768 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.410 3.117 5.510 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.593 5.584 4.949 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.095 2.737 6.824 1.00 0.00 C ATOM 0 H ILE A 51 4.704 2.392 3.947 1.00 0.00 H new ATOM 0 HA ILE A 51 2.382 3.440 2.982 1.00 0.00 H new ATOM 0 HB ILE A 51 4.201 4.219 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.402 3.479 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.310 2.234 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.503 5.806 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.234 6.328 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.606 5.610 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.509 1.971 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.093 2.352 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.171 3.617 7.462 1.00 0.00 H new ATOM 719 N LYS A 52 4.789 5.655 2.608 1.00 0.00 N ATOM 720 CA LYS A 52 5.186 6.819 1.834 1.00 0.00 C ATOM 721 C LYS A 52 4.838 6.590 0.362 1.00 0.00 C ATOM 722 O LYS A 52 4.012 7.306 -0.202 1.00 0.00 O ATOM 723 CB LYS A 52 6.662 7.143 2.073 1.00 0.00 C ATOM 724 CG LYS A 52 6.824 8.529 2.702 1.00 0.00 C ATOM 725 CD LYS A 52 7.937 8.527 3.753 1.00 0.00 C ATOM 726 CE LYS A 52 9.164 9.291 3.253 1.00 0.00 C ATOM 727 NZ LYS A 52 9.820 10.006 4.370 1.00 0.00 N ATOM 0 H LYS A 52 5.469 5.355 3.307 1.00 0.00 H new ATOM 0 HA LYS A 52 4.633 7.700 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.102 6.390 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.205 7.103 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.052 9.260 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.885 8.836 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.573 8.980 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.215 7.500 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.869 8.598 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.868 10.002 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.651 10.519 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.150 10.681 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.120 9.321 5.092 1.00 0.00 H new ATOM 741 N ALA A 53 5.485 5.590 -0.218 1.00 0.00 N ATOM 742 CA ALA A 53 5.253 5.258 -1.613 1.00 0.00 C ATOM 743 C ALA A 53 3.785 5.518 -1.958 1.00 0.00 C ATOM 744 O ALA A 53 3.483 6.328 -2.833 1.00 0.00 O ATOM 745 CB ALA A 53 5.664 3.807 -1.868 1.00 0.00 C ATOM 0 H ALA A 53 6.170 4.999 0.253 1.00 0.00 H new ATOM 0 HA ALA A 53 5.860 5.888 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.490 3.558 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.722 3.682 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.074 3.145 -1.235 1.00 0.00 H new ATOM 751 N ILE A 54 2.912 4.814 -1.253 1.00 0.00 N ATOM 752 CA ILE A 54 1.483 4.958 -1.473 1.00 0.00 C ATOM 753 C ILE A 54 1.127 6.445 -1.532 1.00 0.00 C ATOM 754 O ILE A 54 0.446 6.888 -2.455 1.00 0.00 O ATOM 755 CB ILE A 54 0.697 4.179 -0.417 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.810 2.672 -0.650 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.760 4.644 -0.365 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.637 2.007 0.451 1.00 0.00 C ATOM 0 H ILE A 54 3.167 4.142 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 54 1.200 4.524 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 54 1.136 4.387 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.186 2.229 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.271 2.484 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.297 4.074 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.795 5.704 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.228 4.485 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.701 0.936 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.640 2.435 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.160 2.176 1.417 1.00 0.00 H new ATOM 770 N ARG A 55 1.606 7.175 -0.535 1.00 0.00 N ATOM 771 CA ARG A 55 1.347 8.603 -0.462 1.00 0.00 C ATOM 772 C ARG A 55 1.987 9.320 -1.653 1.00 0.00 C ATOM 773 O ARG A 55 1.388 10.225 -2.232 1.00 0.00 O ATOM 774 CB ARG A 55 1.897 9.197 0.837 1.00 0.00 C ATOM 775 CG ARG A 55 1.738 8.214 1.999 1.00 0.00 C ATOM 776 CD ARG A 55 1.630 8.955 3.333 1.00 0.00 C ATOM 777 NE ARG A 55 2.684 8.486 4.259 1.00 0.00 N ATOM 778 CZ ARG A 55 2.840 8.939 5.511 1.00 0.00 C ATOM 779 NH1 ARG A 55 2.011 9.875 5.993 1.00 0.00 N ATOM 780 NH2 ARG A 55 3.825 8.456 6.280 1.00 0.00 N ATOM 0 H ARG A 55 2.172 6.804 0.229 1.00 0.00 H new ATOM 0 HA ARG A 55 0.267 8.746 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.950 9.448 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.374 10.125 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.848 7.604 1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.590 7.534 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.728 10.028 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.647 8.787 3.773 1.00 0.00 H new ATOM 0 HE ARG A 55 3.332 7.774 3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.261 10.243 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.130 10.220 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.456 7.744 5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.944 8.801 7.233 1.00 0.00 H new ATOM 794 N GLU A 56 3.195 8.889 -1.984 1.00 0.00 N ATOM 795 CA GLU A 56 3.922 9.478 -3.095 1.00 0.00 C ATOM 796 C GLU A 56 3.591 8.743 -4.395 1.00 0.00 C ATOM 797 O GLU A 56 4.338 8.829 -5.369 1.00 0.00 O ATOM 798 CB GLU A 56 5.429 9.471 -2.830 1.00 0.00 C ATOM 799 CG GLU A 56 5.799 10.481 -1.742 1.00 0.00 C ATOM 800 CD GLU A 56 6.974 11.356 -2.184 1.00 0.00 C ATOM 801 OE1 GLU A 56 6.754 12.186 -3.092 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.066 11.175 -1.603 1.00 0.00 O ATOM 0 H GLU A 56 3.689 8.138 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 56 3.609 10.517 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.744 8.473 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.965 9.709 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.938 11.109 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.059 9.954 -0.824 1.00 0.00 H new ATOM 809 N SER A 57 2.469 8.038 -4.370 1.00 0.00 N ATOM 810 CA SER A 57 2.030 7.289 -5.535 1.00 0.00 C ATOM 811 C SER A 57 1.006 8.105 -6.326 1.00 0.00 C ATOM 812 O SER A 57 0.238 7.550 -7.111 1.00 0.00 O ATOM 813 CB SER A 57 1.434 5.939 -5.129 1.00 0.00 C ATOM 814 OG SER A 57 1.139 5.124 -6.260 1.00 0.00 O ATOM 0 H SER A 57 1.851 7.970 -3.561 1.00 0.00 H new ATOM 0 HA SER A 57 2.898 7.098 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.133 5.415 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.523 6.103 -4.553 1.00 0.00 H new ATOM 0 HG SER A 57 0.721 5.671 -6.957 1.00 0.00 H new ATOM 820 N GLY A 58 1.028 9.409 -6.092 1.00 0.00 N ATOM 821 CA GLY A 58 0.111 10.306 -6.773 1.00 0.00 C ATOM 822 C GLY A 58 -1.326 9.784 -6.698 1.00 0.00 C ATOM 823 O GLY A 58 -2.002 9.668 -7.719 1.00 0.00 O ATOM 0 H GLY A 58 1.666 9.865 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.165 11.297 -6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.409 10.413 -7.816 1.00 0.00 H new ATOM 827 N MET A 59 -1.749 9.481 -5.480 1.00 0.00 N ATOM 828 CA MET A 59 -3.092 8.974 -5.259 1.00 0.00 C ATOM 829 C MET A 59 -3.837 9.824 -4.228 1.00 0.00 C ATOM 830 O MET A 59 -5.023 10.105 -4.390 1.00 0.00 O ATOM 831 CB MET A 59 -3.017 7.526 -4.768 1.00 0.00 C ATOM 832 CG MET A 59 -3.025 6.548 -5.944 1.00 0.00 C ATOM 833 SD MET A 59 -3.615 4.951 -5.406 1.00 0.00 S ATOM 834 CE MET A 59 -2.060 4.098 -5.206 1.00 0.00 C ATOM 0 H MET A 59 -1.185 9.577 -4.636 1.00 0.00 H new ATOM 0 HA MET A 59 -3.637 9.020 -6.202 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.111 7.384 -4.179 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.861 7.317 -4.111 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.662 6.930 -6.741 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.020 6.454 -6.356 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.230 3.145 -4.706 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.614 3.920 -6.185 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.385 4.708 -4.605 1.00 0.00 H new ATOM 844 N ASN A 60 -3.110 10.210 -3.189 1.00 0.00 N ATOM 845 CA ASN A 60 -3.687 11.022 -2.132 1.00 0.00 C ATOM 846 C ASN A 60 -4.559 10.141 -1.236 1.00 0.00 C ATOM 847 O ASN A 60 -5.665 10.531 -0.863 1.00 0.00 O ATOM 848 CB ASN A 60 -4.569 12.131 -2.709 1.00 0.00 C ATOM 849 CG ASN A 60 -4.616 13.339 -1.771 1.00 0.00 C ATOM 850 OD1 ASN A 60 -4.248 13.270 -0.609 1.00 0.00 O ATOM 851 ND2 ASN A 60 -5.087 14.446 -2.337 1.00 0.00 N ATOM 0 H ASN A 60 -2.126 9.975 -3.057 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.870 11.469 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.185 12.437 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.578 11.751 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.158 15.306 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.378 14.435 -3.315 1.00 0.00 H new ATOM 858 N LEU A 61 -4.030 8.969 -0.916 1.00 0.00 N ATOM 859 CA LEU A 61 -4.746 8.030 -0.071 1.00 0.00 C ATOM 860 C LEU A 61 -4.150 8.060 1.338 1.00 0.00 C ATOM 861 O LEU A 61 -3.064 8.599 1.545 1.00 0.00 O ATOM 862 CB LEU A 61 -4.755 6.637 -0.705 1.00 0.00 C ATOM 863 CG LEU A 61 -5.683 6.454 -1.908 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.203 5.308 -2.801 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.132 6.262 -1.458 1.00 0.00 C ATOM 0 H LEU A 61 -3.113 8.649 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.793 8.321 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.739 6.394 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.037 5.913 0.060 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.650 7.364 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.880 5.199 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.199 5.526 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.188 4.381 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.771 6.134 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.202 5.377 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.457 7.137 -0.896 1.00 0.00 H new ATOM 877 N ASN A 62 -4.887 7.474 2.270 1.00 0.00 N ATOM 878 CA ASN A 62 -4.444 7.427 3.653 1.00 0.00 C ATOM 879 C ASN A 62 -4.193 5.972 4.055 1.00 0.00 C ATOM 880 O ASN A 62 -5.102 5.288 4.523 1.00 0.00 O ATOM 881 CB ASN A 62 -5.509 8.000 4.592 1.00 0.00 C ATOM 882 CG ASN A 62 -4.905 8.360 5.951 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.784 7.536 6.843 1.00 0.00 O ATOM 884 ND2 ASN A 62 -4.535 9.633 6.058 1.00 0.00 N ATOM 0 H ASN A 62 -5.787 7.028 2.095 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.533 8.020 3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.956 8.887 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.309 7.273 4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.121 9.973 6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.665 10.270 5.272 1.00 0.00 H new ATOM 891 N PRO A 63 -2.923 5.531 3.852 1.00 0.00 N ATOM 892 CA PRO A 63 -2.541 4.170 4.188 1.00 0.00 C ATOM 893 C PRO A 63 -2.396 3.999 5.702 1.00 0.00 C ATOM 894 O PRO A 63 -1.939 4.909 6.392 1.00 0.00 O ATOM 895 CB PRO A 63 -1.243 3.929 3.436 1.00 0.00 C ATOM 896 CG PRO A 63 -0.704 5.306 3.082 1.00 0.00 C ATOM 897 CD PRO A 63 -1.821 6.313 3.300 1.00 0.00 C ATOM 0 HA PRO A 63 -3.295 3.438 3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.532 3.378 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.416 3.335 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.157 5.550 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.366 5.329 2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.514 7.103 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.107 6.795 2.365 1.00 0.00 H new ATOM 905 N GLU A 64 -2.793 2.826 6.173 1.00 0.00 N ATOM 906 CA GLU A 64 -2.713 2.524 7.592 1.00 0.00 C ATOM 907 C GLU A 64 -1.532 1.592 7.871 1.00 0.00 C ATOM 908 O GLU A 64 -1.085 0.868 6.982 1.00 0.00 O ATOM 909 CB GLU A 64 -4.023 1.916 8.098 1.00 0.00 C ATOM 910 CG GLU A 64 -5.148 2.952 8.088 1.00 0.00 C ATOM 911 CD GLU A 64 -5.726 3.148 9.491 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.005 2.117 10.139 1.00 0.00 O ATOM 913 OE2 GLU A 64 -5.876 4.326 9.883 1.00 0.00 O ATOM 0 H GLU A 64 -3.171 2.074 5.597 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.550 3.456 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.300 1.067 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.884 1.534 9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.769 3.902 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.937 2.631 7.408 1.00 0.00 H new ATOM 920 N VAL A 65 -1.061 1.640 9.108 1.00 0.00 N ATOM 921 CA VAL A 65 0.060 0.809 9.514 1.00 0.00 C ATOM 922 C VAL A 65 -0.116 0.404 10.979 1.00 0.00 C ATOM 923 O VAL A 65 -0.206 1.261 11.857 1.00 0.00 O ATOM 924 CB VAL A 65 1.377 1.541 9.250 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.578 2.684 10.246 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.560 0.570 9.284 1.00 0.00 C ATOM 0 H VAL A 65 -1.435 2.241 9.842 1.00 0.00 H new ATOM 0 HA VAL A 65 0.090 -0.107 8.924 1.00 0.00 H new ATOM 0 HB VAL A 65 1.326 1.973 8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.522 3.188 10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.758 3.396 10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.598 2.284 11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.484 1.116 9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.614 0.096 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.425 -0.194 8.519 1.00 0.00 H new ATOM 936 N GLU A 66 -0.161 -0.902 11.198 1.00 0.00 N ATOM 937 CA GLU A 66 -0.324 -1.431 12.541 1.00 0.00 C ATOM 938 C GLU A 66 0.775 -2.450 12.848 1.00 0.00 C ATOM 939 O GLU A 66 0.732 -3.580 12.362 1.00 0.00 O ATOM 940 CB GLU A 66 -1.712 -2.050 12.721 1.00 0.00 C ATOM 941 CG GLU A 66 -2.568 -1.209 13.670 1.00 0.00 C ATOM 942 CD GLU A 66 -3.431 -2.100 14.566 1.00 0.00 C ATOM 943 OE1 GLU A 66 -2.906 -2.527 15.616 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.597 -2.334 14.179 1.00 0.00 O ATOM 0 H GLU A 66 -0.087 -1.610 10.467 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.235 -0.607 13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.207 -2.130 11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.615 -3.062 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.924 -0.582 14.287 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.207 -0.540 13.093 1.00 0.00 H new ATOM 951 N GLY A 67 1.734 -2.015 13.652 1.00 0.00 N ATOM 952 CA GLY A 67 2.842 -2.875 14.029 1.00 0.00 C ATOM 953 C GLY A 67 3.749 -3.159 12.830 1.00 0.00 C ATOM 954 O GLY A 67 4.772 -2.500 12.652 1.00 0.00 O ATOM 0 H GLY A 67 1.766 -1.078 14.053 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.420 -2.402 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.459 -3.813 14.430 1.00 0.00 H new ATOM 958 N THR A 68 3.341 -4.140 12.039 1.00 0.00 N ATOM 959 CA THR A 68 4.104 -4.518 10.862 1.00 0.00 C ATOM 960 C THR A 68 3.168 -4.773 9.678 1.00 0.00 C ATOM 961 O THR A 68 3.593 -5.290 8.647 1.00 0.00 O ATOM 962 CB THR A 68 4.966 -5.729 11.226 1.00 0.00 C ATOM 963 OG1 THR A 68 4.160 -6.466 12.141 1.00 0.00 O ATOM 964 CG2 THR A 68 6.201 -5.344 12.044 1.00 0.00 C ATOM 0 H THR A 68 2.492 -4.685 12.190 1.00 0.00 H new ATOM 0 HA THR A 68 4.766 -3.712 10.545 1.00 0.00 H new ATOM 0 HB THR A 68 5.279 -6.239 10.315 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.642 -7.270 12.427 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.778 -6.239 12.276 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.818 -4.654 11.469 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.888 -4.864 12.971 1.00 0.00 H new ATOM 972 N LEU A 69 1.912 -4.397 9.867 1.00 0.00 N ATOM 973 CA LEU A 69 0.912 -4.577 8.829 1.00 0.00 C ATOM 974 C LEU A 69 0.555 -3.216 8.228 1.00 0.00 C ATOM 975 O LEU A 69 0.679 -2.189 8.893 1.00 0.00 O ATOM 976 CB LEU A 69 -0.294 -5.345 9.373 1.00 0.00 C ATOM 977 CG LEU A 69 -0.413 -6.806 8.934 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.860 -6.905 7.474 1.00 0.00 C ATOM 979 CD2 LEU A 69 0.893 -7.563 9.186 1.00 0.00 C ATOM 0 H LEU A 69 1.564 -3.968 10.724 1.00 0.00 H new ATOM 0 HA LEU A 69 1.310 -5.188 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.257 -5.315 10.462 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.200 -4.820 9.070 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.183 -7.283 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.937 -7.954 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.832 -6.425 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.130 -6.407 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.781 -8.599 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.700 -7.094 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.130 -7.536 10.250 1.00 0.00 H new ATOM 991 N ILE A 70 0.118 -3.253 6.978 1.00 0.00 N ATOM 992 CA ILE A 70 -0.259 -2.035 6.281 1.00 0.00 C ATOM 993 C ILE A 70 -1.672 -2.192 5.715 1.00 0.00 C ATOM 994 O ILE A 70 -1.946 -3.135 4.975 1.00 0.00 O ATOM 995 CB ILE A 70 0.790 -1.676 5.226 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.206 -1.856 5.776 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.561 -0.263 4.685 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.252 -1.395 4.760 1.00 0.00 C ATOM 0 H ILE A 70 0.017 -4.107 6.430 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.285 -1.193 6.972 1.00 0.00 H new ATOM 0 HB ILE A 70 0.681 -2.364 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.316 -1.288 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.373 -2.904 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.320 -0.032 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.427 -0.204 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.628 0.455 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.250 -1.534 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.155 -1.982 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.098 -0.340 4.532 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.531 -1.254 6.086 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.909 -1.277 5.625 1.00 0.00 C ATOM 1012 C ARG A 71 -4.161 -0.126 4.649 1.00 0.00 C ATOM 1013 O ARG A 71 -4.119 1.041 5.036 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.884 -1.164 6.799 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.713 -2.441 6.947 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.981 -2.180 7.763 1.00 0.00 C ATOM 1017 NE ARG A 71 -6.892 -2.868 9.070 1.00 0.00 N ATOM 1018 CZ ARG A 71 -7.215 -4.154 9.265 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -7.649 -4.899 8.240 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -7.103 -4.695 10.486 1.00 0.00 N ATOM 0 H ARG A 71 -2.300 -0.473 6.700 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.074 -2.229 5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.331 -0.976 7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.546 -0.312 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.982 -2.820 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.116 -3.212 7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.112 -1.109 7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.855 -2.533 7.216 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.564 -2.330 9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.734 -4.488 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.895 -5.878 8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.772 -4.128 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.349 -5.674 10.635 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.416 -0.495 3.403 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.675 0.492 2.368 1.00 0.00 C ATOM 1036 C VAL A 72 -6.113 0.337 1.869 1.00 0.00 C ATOM 1037 O VAL A 72 -6.395 -0.524 1.037 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.637 0.364 1.251 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.248 0.712 -0.108 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.411 1.232 1.539 1.00 0.00 C ATOM 0 H VAL A 72 -4.449 -1.464 3.086 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.578 1.501 2.770 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.310 -0.675 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.489 0.613 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.074 0.034 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.616 1.738 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.689 1.122 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.714 2.276 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.955 0.917 2.477 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.007 1.205 2.413 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.408 1.172 2.032 1.00 0.00 C ATOM 1052 C PRO A 73 -8.613 1.779 0.642 1.00 0.00 C ATOM 1053 O PRO A 73 -8.141 2.880 0.366 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.132 1.940 3.127 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.067 2.767 3.829 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.708 2.237 3.402 1.00 0.00 C ATOM 0 HA PRO A 73 -8.797 0.157 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.909 2.579 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.621 1.259 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.166 3.820 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.181 2.697 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.091 3.028 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.159 1.826 4.249 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.317 1.032 -0.196 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.589 1.482 -1.551 1.00 0.00 C ATOM 1066 C ILE A 74 -10.747 2.483 -1.528 1.00 0.00 C ATOM 1067 O ILE A 74 -11.717 2.298 -0.795 1.00 0.00 O ATOM 1068 CB ILE A 74 -9.829 0.286 -2.475 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -8.757 -0.787 -2.272 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -9.923 0.732 -3.935 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.488 -0.449 -3.057 1.00 0.00 C ATOM 0 H ILE A 74 -9.707 0.119 0.037 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.724 2.003 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.787 -0.162 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.521 -0.874 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.141 -1.755 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.094 -0.137 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.750 1.433 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.992 1.218 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.742 -1.227 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.723 -0.387 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.093 0.508 -2.716 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.603 3.547 -2.362 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.624 4.577 -2.444 1.00 0.00 C ATOM 1085 C PRO A 75 -12.840 4.082 -3.230 1.00 0.00 C ATOM 1086 O PRO A 75 -12.784 3.034 -3.873 1.00 0.00 O ATOM 1087 CB PRO A 75 -10.936 5.763 -3.099 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.697 5.202 -3.779 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.467 3.798 -3.245 1.00 0.00 C ATOM 0 HA PRO A 75 -12.021 4.854 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.594 6.246 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.668 6.517 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.831 5.182 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.832 5.834 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.425 3.069 -4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.523 3.729 -2.705 1.00 0.00 H new ATOM 1097 N LYS A 76 -13.911 4.859 -3.154 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.138 4.512 -3.851 1.00 0.00 C ATOM 1099 C LYS A 76 -15.782 3.303 -3.169 1.00 0.00 C ATOM 1100 O LYS A 76 -15.899 2.237 -3.771 1.00 0.00 O ATOM 1101 CB LYS A 76 -14.867 4.306 -5.342 1.00 0.00 C ATOM 1102 CG LYS A 76 -15.625 5.334 -6.184 1.00 0.00 C ATOM 1103 CD LYS A 76 -15.143 5.315 -7.637 1.00 0.00 C ATOM 1104 CE LYS A 76 -14.259 6.527 -7.937 1.00 0.00 C ATOM 1105 NZ LYS A 76 -14.252 6.817 -9.388 1.00 0.00 N ATOM 0 H LYS A 76 -13.954 5.727 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.855 5.331 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.798 4.389 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.166 3.299 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.694 5.122 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.484 6.329 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.586 4.398 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.001 5.311 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.624 7.395 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.242 6.337 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.647 7.642 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.883 5.994 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.221 7.019 -9.706 1.00 0.00 H new ATOM 1119 N VAL A 77 -16.183 3.510 -1.924 1.00 0.00 N ATOM 1120 CA VAL A 77 -16.812 2.451 -1.154 1.00 0.00 C ATOM 1121 C VAL A 77 -18.236 2.229 -1.669 1.00 0.00 C ATOM 1122 O VAL A 77 -18.967 3.187 -1.914 1.00 0.00 O ATOM 1123 CB VAL A 77 -16.761 2.786 0.338 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -17.505 1.733 1.162 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -15.316 2.937 0.817 1.00 0.00 C ATOM 0 H VAL A 77 -16.084 4.396 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.270 1.514 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.264 3.742 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -17.453 1.995 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.548 1.695 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.044 0.757 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -15.308 3.175 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.778 2.004 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.831 3.740 0.262 1.00 0.00 H new ATOM 1135 N THR A 78 -18.587 0.960 -1.817 1.00 0.00 N ATOM 1136 CA THR A 78 -19.910 0.600 -2.298 1.00 0.00 C ATOM 1137 C THR A 78 -20.120 1.122 -3.721 1.00 0.00 C ATOM 1138 O THR A 78 -19.810 2.275 -4.015 1.00 0.00 O ATOM 1139 CB THR A 78 -20.938 1.133 -1.298 1.00 0.00 C ATOM 1140 OG1 THR A 78 -20.884 0.206 -0.217 1.00 0.00 O ATOM 1141 CG2 THR A 78 -22.373 1.019 -1.816 1.00 0.00 C ATOM 0 H THR A 78 -17.978 0.168 -1.612 1.00 0.00 H new ATOM 0 HA THR A 78 -20.027 -0.482 -2.361 1.00 0.00 H new ATOM 0 HB THR A 78 -20.716 2.176 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 78 -21.519 0.477 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 78 -23.062 1.411 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 78 -22.474 1.592 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 78 -22.607 -0.027 -2.012 1.00 0.00 H new ATOM 1149 N SER A 79 -20.645 0.247 -4.566 1.00 0.00 N ATOM 1150 CA SER A 79 -20.900 0.604 -5.951 1.00 0.00 C ATOM 1151 C SER A 79 -22.292 0.126 -6.367 1.00 0.00 C ATOM 1152 O SER A 79 -23.110 0.917 -6.836 1.00 0.00 O ATOM 1153 CB SER A 79 -19.836 0.012 -6.878 1.00 0.00 C ATOM 1154 OG SER A 79 -18.517 0.377 -6.479 1.00 0.00 O ATOM 0 H SER A 79 -20.901 -0.709 -4.318 1.00 0.00 H new ATOM 0 HA SER A 79 -20.855 1.690 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.925 -1.074 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.014 0.353 -7.898 1.00 0.00 H new ATOM 0 HG SER A 79 -17.867 -0.022 -7.095 1.00 0.00 H new ATOM 1160 N GLY A 80 -22.519 -1.166 -6.181 1.00 0.00 N ATOM 1161 CA GLY A 80 -23.799 -1.759 -6.531 1.00 0.00 C ATOM 1162 C GLY A 80 -24.584 -2.149 -5.277 1.00 0.00 C ATOM 1163 O GLY A 80 -24.448 -1.513 -4.233 1.00 0.00 O ATOM 0 H GLY A 80 -21.838 -1.819 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -24.381 -1.053 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -23.638 -2.640 -7.152 1.00 0.00 H new ATOM 1167 N PRO A 81 -25.409 -3.220 -5.425 1.00 0.00 N ATOM 1168 CA PRO A 81 -26.216 -3.702 -4.317 1.00 0.00 C ATOM 1169 C PRO A 81 -25.357 -4.460 -3.303 1.00 0.00 C ATOM 1170 O PRO A 81 -24.837 -5.534 -3.603 1.00 0.00 O ATOM 1171 CB PRO A 81 -27.285 -4.572 -4.958 1.00 0.00 C ATOM 1172 CG PRO A 81 -26.763 -4.920 -6.343 1.00 0.00 C ATOM 1173 CD PRO A 81 -25.595 -3.997 -6.647 1.00 0.00 C ATOM 0 HA PRO A 81 -26.670 -2.894 -3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -27.461 -5.472 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.235 -4.041 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -26.446 -5.962 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -27.549 -4.799 -7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -24.698 -4.563 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -25.812 -3.351 -7.498 1.00 0.00 H new ATOM 1181 N SER A 82 -25.234 -3.872 -2.122 1.00 0.00 N ATOM 1182 CA SER A 82 -24.448 -4.478 -1.062 1.00 0.00 C ATOM 1183 C SER A 82 -25.089 -5.796 -0.623 1.00 0.00 C ATOM 1184 O SER A 82 -26.203 -6.116 -1.034 1.00 0.00 O ATOM 1185 CB SER A 82 -24.310 -3.532 0.132 1.00 0.00 C ATOM 1186 OG SER A 82 -22.960 -3.124 0.338 1.00 0.00 O ATOM 0 H SER A 82 -25.666 -2.981 -1.876 1.00 0.00 H new ATOM 0 HA SER A 82 -23.449 -4.678 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 82 -24.934 -2.653 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.680 -4.026 1.030 1.00 0.00 H new ATOM 0 HG SER A 82 -22.915 -2.520 1.108 1.00 0.00 H new ATOM 1192 N SER A 83 -24.357 -6.526 0.206 1.00 0.00 N ATOM 1193 CA SER A 83 -24.840 -7.803 0.705 1.00 0.00 C ATOM 1194 C SER A 83 -25.933 -7.576 1.751 1.00 0.00 C ATOM 1195 O SER A 83 -26.032 -6.493 2.326 1.00 0.00 O ATOM 1196 CB SER A 83 -23.699 -8.629 1.301 1.00 0.00 C ATOM 1197 OG SER A 83 -23.361 -8.201 2.617 1.00 0.00 O ATOM 0 H SER A 83 -23.433 -6.258 0.545 1.00 0.00 H new ATOM 0 HA SER A 83 -25.257 -8.362 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.986 -9.680 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.822 -8.552 0.658 1.00 0.00 H new ATOM 0 HG SER A 83 -22.630 -8.754 2.963 1.00 0.00 H new ATOM 1203 N GLY A 84 -26.727 -8.614 1.965 1.00 0.00 N ATOM 1204 CA GLY A 84 -27.810 -8.542 2.932 1.00 0.00 C ATOM 1205 C GLY A 84 -28.692 -9.790 2.862 1.00 0.00 C ATOM 1206 O GLY A 84 -28.220 -10.902 3.094 1.00 0.00 O ATOM 0 H GLY A 84 -26.643 -9.510 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -27.399 -8.439 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -28.414 -7.655 2.742 1.00 0.00 H new TER 1210 GLY A 84