USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 521 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 32 CYS SG : rot 30:sc= -1.39 USER MOD Set 1.2: A 36 ASN : amide:sc= -0.529 K(o=-2.5,f=0.2) USER MOD Set 1.3: A 43 CYS SG : rot 19:sc= -0.622 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0838 (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 46:sc= 1.03 USER MOD Single : A 6 SER OG : rot 6:sc= 0.247! USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.72) USER MOD Single : A 19 GLN : amide:sc= -0.968 K(o=-0.97,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc=-0.00182 (180deg=-0.191) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 144:sc= -0.921 (180deg=-4.56!) USER MOD Single : A 35 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.2!) USER MOD Single : A 37 ASN : amide:sc= 0.805 K(o=0.81,f=-0.14) USER MOD Single : A 38 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.063) USER MOD Single : A 39 ASN : amide:sc= 0.264 K(o=0.26,f=-0.58) USER MOD Single : A 44 CYS SG : rot 63:sc= 1.14 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00365 X(o=-0.0037,f=-0.13) USER MOD Single : A 51 SER OG : rot 180:sc= -3.27! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0693 X(o=-0.069,f=-0.47) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -2:sc= 0.65! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.082 -4.359 -28.888 1.00 0.00 N ATOM 2 CA GLY A 1 3.526 -5.662 -28.566 1.00 0.00 C ATOM 3 C GLY A 1 3.474 -5.876 -27.052 1.00 0.00 C ATOM 4 O GLY A 1 4.139 -5.169 -26.297 1.00 0.00 O ATOM 0 H1 GLY A 1 3.354 -3.775 -29.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.401 -3.892 -28.015 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.889 -4.476 -29.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.523 -5.747 -28.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.130 -6.443 -29.027 1.00 0.00 H new ATOM 8 N SER A 2 2.676 -6.856 -26.652 1.00 0.00 N ATOM 9 CA SER A 2 2.528 -7.172 -25.241 1.00 0.00 C ATOM 10 C SER A 2 3.169 -8.528 -24.939 1.00 0.00 C ATOM 11 O SER A 2 2.574 -9.572 -25.199 1.00 0.00 O ATOM 12 CB SER A 2 1.054 -7.178 -24.830 1.00 0.00 C ATOM 13 OG SER A 2 0.792 -6.263 -23.770 1.00 0.00 O ATOM 0 H SER A 2 2.125 -7.441 -27.280 1.00 0.00 H new ATOM 0 HA SER A 2 3.035 -6.400 -24.662 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.437 -6.922 -25.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.768 -8.183 -24.520 1.00 0.00 H new ATOM 0 HG SER A 2 -0.160 -6.295 -23.538 1.00 0.00 H new ATOM 19 N SER A 3 4.375 -8.468 -24.394 1.00 0.00 N ATOM 20 CA SER A 3 5.104 -9.678 -24.053 1.00 0.00 C ATOM 21 C SER A 3 6.176 -9.366 -23.007 1.00 0.00 C ATOM 22 O SER A 3 7.247 -8.862 -23.342 1.00 0.00 O ATOM 23 CB SER A 3 5.740 -10.306 -25.295 1.00 0.00 C ATOM 24 OG SER A 3 5.146 -11.558 -25.624 1.00 0.00 O ATOM 0 H SER A 3 4.866 -7.600 -24.180 1.00 0.00 H new ATOM 0 HA SER A 3 4.398 -10.397 -23.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.638 -9.624 -26.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.808 -10.445 -25.125 1.00 0.00 H new ATOM 0 HG SER A 3 5.578 -11.925 -26.423 1.00 0.00 H new ATOM 30 N GLY A 4 5.851 -9.680 -21.762 1.00 0.00 N ATOM 31 CA GLY A 4 6.773 -9.440 -20.664 1.00 0.00 C ATOM 32 C GLY A 4 6.830 -7.952 -20.312 1.00 0.00 C ATOM 33 O GLY A 4 6.710 -7.097 -21.188 1.00 0.00 O ATOM 0 H GLY A 4 4.962 -10.099 -21.489 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.461 -10.012 -19.790 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.768 -9.791 -20.936 1.00 0.00 H new ATOM 37 N SER A 5 7.013 -7.688 -19.026 1.00 0.00 N ATOM 38 CA SER A 5 7.088 -6.318 -18.547 1.00 0.00 C ATOM 39 C SER A 5 7.677 -6.289 -17.135 1.00 0.00 C ATOM 40 O SER A 5 6.945 -6.383 -16.151 1.00 0.00 O ATOM 41 CB SER A 5 5.709 -5.655 -18.560 1.00 0.00 C ATOM 42 OG SER A 5 4.799 -6.297 -17.672 1.00 0.00 O ATOM 0 H SER A 5 7.111 -8.399 -18.302 1.00 0.00 H new ATOM 0 HA SER A 5 7.739 -5.756 -19.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.809 -4.606 -18.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.305 -5.679 -19.572 1.00 0.00 H new ATOM 0 HG SER A 5 5.238 -6.452 -16.809 1.00 0.00 H new ATOM 48 N SER A 6 8.994 -6.159 -17.081 1.00 0.00 N ATOM 49 CA SER A 6 9.690 -6.116 -15.806 1.00 0.00 C ATOM 50 C SER A 6 9.520 -4.739 -15.163 1.00 0.00 C ATOM 51 O SER A 6 9.828 -3.720 -15.778 1.00 0.00 O ATOM 52 CB SER A 6 11.175 -6.442 -15.978 1.00 0.00 C ATOM 53 OG SER A 6 11.920 -5.314 -16.430 1.00 0.00 O ATOM 0 H SER A 6 9.598 -6.082 -17.899 1.00 0.00 H new ATOM 0 HA SER A 6 9.253 -6.871 -15.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.582 -6.789 -15.028 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.287 -7.259 -16.690 1.00 0.00 H new ATOM 0 HG SER A 6 11.338 -4.526 -16.453 1.00 0.00 H new ATOM 59 N GLY A 7 9.029 -4.752 -13.932 1.00 0.00 N ATOM 60 CA GLY A 7 8.814 -3.517 -13.198 1.00 0.00 C ATOM 61 C GLY A 7 9.403 -3.606 -11.789 1.00 0.00 C ATOM 62 O GLY A 7 8.921 -4.376 -10.959 1.00 0.00 O ATOM 0 H GLY A 7 8.774 -5.599 -13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.272 -2.686 -13.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.746 -3.307 -13.137 1.00 0.00 H new ATOM 66 N GLN A 8 10.436 -2.809 -11.562 1.00 0.00 N ATOM 67 CA GLN A 8 11.096 -2.788 -10.268 1.00 0.00 C ATOM 68 C GLN A 8 10.423 -1.770 -9.345 1.00 0.00 C ATOM 69 O GLN A 8 10.007 -0.702 -9.792 1.00 0.00 O ATOM 70 CB GLN A 8 12.589 -2.489 -10.418 1.00 0.00 C ATOM 71 CG GLN A 8 13.366 -3.752 -10.795 1.00 0.00 C ATOM 72 CD GLN A 8 14.818 -3.663 -10.322 1.00 0.00 C ATOM 73 OE1 GLN A 8 15.128 -3.821 -9.152 1.00 0.00 O ATOM 74 NE2 GLN A 8 15.689 -3.402 -11.293 1.00 0.00 N ATOM 0 H GLN A 8 10.833 -2.172 -12.253 1.00 0.00 H new ATOM 0 HA GLN A 8 11.001 -3.776 -9.818 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.736 -1.726 -11.182 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.978 -2.084 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.887 -4.624 -10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.340 -3.891 -11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.363 -3.281 -12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.683 -3.323 -11.079 1.00 0.00 H new ATOM 83 N ILE A 9 10.336 -2.137 -8.075 1.00 0.00 N ATOM 84 CA ILE A 9 9.720 -1.269 -7.085 1.00 0.00 C ATOM 85 C ILE A 9 10.203 0.166 -7.302 1.00 0.00 C ATOM 86 O ILE A 9 11.353 0.389 -7.676 1.00 0.00 O ATOM 87 CB ILE A 9 9.979 -1.799 -5.673 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.976 -2.895 -5.306 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.982 -0.659 -4.653 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.596 -2.301 -5.020 1.00 0.00 C ATOM 0 H ILE A 9 10.682 -3.024 -7.708 1.00 0.00 H new ATOM 0 HA ILE A 9 8.637 -1.263 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 9 10.970 -2.251 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.904 -3.615 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.330 -3.439 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.168 -1.062 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.765 0.055 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.015 -0.157 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.902 -3.101 -4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.667 -1.600 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.234 -1.779 -5.906 1.00 0.00 H new ATOM 102 N ASP A 10 9.299 1.104 -7.057 1.00 0.00 N ATOM 103 CA ASP A 10 9.618 2.512 -7.221 1.00 0.00 C ATOM 104 C ASP A 10 9.633 3.190 -5.849 1.00 0.00 C ATOM 105 O ASP A 10 8.580 3.512 -5.301 1.00 0.00 O ATOM 106 CB ASP A 10 8.571 3.217 -8.085 1.00 0.00 C ATOM 107 CG ASP A 10 8.864 4.689 -8.384 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.384 5.361 -7.468 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.561 5.108 -9.522 1.00 0.00 O ATOM 0 H ASP A 10 8.346 0.916 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 10 10.592 2.583 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.481 2.681 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.604 3.149 -7.586 1.00 0.00 H new ATOM 114 N PHE A 11 10.838 3.386 -5.334 1.00 0.00 N ATOM 115 CA PHE A 11 11.003 4.019 -4.037 1.00 0.00 C ATOM 116 C PHE A 11 10.418 5.433 -4.039 1.00 0.00 C ATOM 117 O PHE A 11 9.552 5.751 -3.225 1.00 0.00 O ATOM 118 CB PHE A 11 12.507 4.104 -3.770 1.00 0.00 C ATOM 119 CG PHE A 11 13.218 2.749 -3.781 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.492 1.599 -3.738 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.576 2.694 -3.833 1.00 0.00 C ATOM 122 CE1 PHE A 11 13.152 0.342 -3.748 1.00 0.00 C ATOM 123 CE2 PHE A 11 15.236 1.436 -3.843 1.00 0.00 C ATOM 124 CZ PHE A 11 14.510 0.287 -3.801 1.00 0.00 C ATOM 0 H PHE A 11 11.709 3.118 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 11 10.485 3.441 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.963 4.748 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.668 4.579 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.414 1.642 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 11 15.153 3.607 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.576 -0.571 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.314 1.392 -3.884 1.00 0.00 H new ATOM 0 HZ PHE A 11 15.012 -0.669 -3.810 1.00 0.00 H new ATOM 134 N GLN A 12 10.913 6.243 -4.962 1.00 0.00 N ATOM 135 CA GLN A 12 10.450 7.615 -5.080 1.00 0.00 C ATOM 136 C GLN A 12 8.924 7.671 -4.981 1.00 0.00 C ATOM 137 O GLN A 12 8.371 8.580 -4.363 1.00 0.00 O ATOM 138 CB GLN A 12 10.938 8.249 -6.385 1.00 0.00 C ATOM 139 CG GLN A 12 10.815 9.773 -6.334 1.00 0.00 C ATOM 140 CD GLN A 12 10.921 10.378 -7.735 1.00 0.00 C ATOM 141 OE1 GLN A 12 10.039 10.243 -8.567 1.00 0.00 O ATOM 142 NE2 GLN A 12 12.048 11.052 -7.949 1.00 0.00 N ATOM 0 H GLN A 12 11.631 5.976 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 12 10.870 8.191 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.977 7.970 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.356 7.861 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.861 10.050 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.598 10.184 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.746 11.127 -7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.214 11.494 -8.853 1.00 0.00 H new ATOM 151 N VAL A 13 8.287 6.687 -5.598 1.00 0.00 N ATOM 152 CA VAL A 13 6.836 6.612 -5.587 1.00 0.00 C ATOM 153 C VAL A 13 6.366 6.112 -4.220 1.00 0.00 C ATOM 154 O VAL A 13 5.342 6.563 -3.709 1.00 0.00 O ATOM 155 CB VAL A 13 6.348 5.738 -6.744 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.857 5.424 -6.603 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.645 6.397 -8.093 1.00 0.00 C ATOM 0 H VAL A 13 8.749 5.935 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 13 6.401 7.600 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 13 6.894 4.795 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.536 4.802 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.684 4.893 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.288 6.354 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.288 5.755 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.139 7.361 -8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.720 6.545 -8.197 1.00 0.00 H new ATOM 167 N LEU A 14 7.136 5.187 -3.667 1.00 0.00 N ATOM 168 CA LEU A 14 6.811 4.621 -2.369 1.00 0.00 C ATOM 169 C LEU A 14 6.899 5.715 -1.303 1.00 0.00 C ATOM 170 O LEU A 14 5.939 5.952 -0.571 1.00 0.00 O ATOM 171 CB LEU A 14 7.696 3.407 -2.078 1.00 0.00 C ATOM 172 CG LEU A 14 8.185 3.264 -0.635 1.00 0.00 C ATOM 173 CD1 LEU A 14 7.120 2.602 0.242 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.519 2.516 -0.580 1.00 0.00 C ATOM 0 H LEU A 14 7.984 4.815 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 14 5.786 4.250 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.142 2.507 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.566 3.451 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 14 8.358 4.262 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.493 2.512 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.216 3.211 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.891 1.611 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.844 2.428 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.396 1.521 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.268 3.066 -1.150 1.00 0.00 H new ATOM 186 N HIS A 15 8.059 6.353 -1.250 1.00 0.00 N ATOM 187 CA HIS A 15 8.284 7.417 -0.287 1.00 0.00 C ATOM 188 C HIS A 15 7.089 8.371 -0.286 1.00 0.00 C ATOM 189 O HIS A 15 6.504 8.639 0.762 1.00 0.00 O ATOM 190 CB HIS A 15 9.610 8.128 -0.563 1.00 0.00 C ATOM 191 CG HIS A 15 9.961 9.190 0.452 1.00 0.00 C ATOM 192 ND1 HIS A 15 9.328 10.421 0.498 1.00 0.00 N ATOM 193 CD2 HIS A 15 10.882 9.193 1.457 1.00 0.00 C ATOM 194 CE1 HIS A 15 9.854 11.124 1.490 1.00 0.00 C ATOM 195 NE2 HIS A 15 10.818 10.362 2.083 1.00 0.00 N ATOM 0 H HIS A 15 8.853 6.153 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 15 8.367 6.994 0.714 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.409 7.387 -0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.566 8.585 -1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.551 8.381 1.703 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.570 12.125 1.779 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.394 10.644 2.876 1.00 0.00 H new ATOM 203 N ASP A 16 6.760 8.858 -1.474 1.00 0.00 N ATOM 204 CA ASP A 16 5.644 9.776 -1.624 1.00 0.00 C ATOM 205 C ASP A 16 4.408 9.185 -0.944 1.00 0.00 C ATOM 206 O ASP A 16 3.537 9.921 -0.483 1.00 0.00 O ATOM 207 CB ASP A 16 5.310 10.001 -3.100 1.00 0.00 C ATOM 208 CG ASP A 16 4.526 11.280 -3.398 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.489 11.479 -2.729 1.00 0.00 O ATOM 210 OD2 ASP A 16 4.980 12.030 -4.289 1.00 0.00 O ATOM 0 H ASP A 16 7.247 8.634 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 16 5.926 10.726 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.240 10.022 -3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.735 9.148 -3.461 1.00 0.00 H new ATOM 215 N LEU A 17 4.370 7.861 -0.904 1.00 0.00 N ATOM 216 CA LEU A 17 3.254 7.163 -0.289 1.00 0.00 C ATOM 217 C LEU A 17 3.540 6.969 1.202 1.00 0.00 C ATOM 218 O LEU A 17 2.625 7.013 2.024 1.00 0.00 O ATOM 219 CB LEU A 17 2.961 5.859 -1.034 1.00 0.00 C ATOM 220 CG LEU A 17 2.327 6.006 -2.418 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.505 4.728 -3.241 1.00 0.00 C ATOM 222 CD2 LEU A 17 0.858 6.417 -2.308 1.00 0.00 C ATOM 0 H LEU A 17 5.094 7.253 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 17 2.344 7.757 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.895 5.307 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.300 5.251 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 17 2.845 6.805 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.045 4.859 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.568 4.519 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.029 3.894 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.432 6.514 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.309 5.658 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.785 7.372 -1.788 1.00 0.00 H new ATOM 234 N ARG A 18 4.812 6.757 1.505 1.00 0.00 N ATOM 235 CA ARG A 18 5.229 6.556 2.883 1.00 0.00 C ATOM 236 C ARG A 18 4.819 7.754 3.742 1.00 0.00 C ATOM 237 O ARG A 18 4.404 7.587 4.888 1.00 0.00 O ATOM 238 CB ARG A 18 6.744 6.365 2.977 1.00 0.00 C ATOM 239 CG ARG A 18 7.167 5.027 2.368 1.00 0.00 C ATOM 240 CD ARG A 18 7.884 4.156 3.402 1.00 0.00 C ATOM 241 NE ARG A 18 9.012 3.439 2.765 1.00 0.00 N ATOM 242 CZ ARG A 18 9.957 2.773 3.442 1.00 0.00 C ATOM 243 NH1 ARG A 18 9.915 2.728 4.781 1.00 0.00 N ATOM 244 NH2 ARG A 18 10.943 2.152 2.781 1.00 0.00 N ATOM 0 H ARG A 18 5.567 6.720 0.821 1.00 0.00 H new ATOM 0 HA ARG A 18 4.737 5.656 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.250 7.180 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.055 6.408 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.290 4.502 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.824 5.203 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.252 4.776 4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.185 3.440 3.834 1.00 0.00 H new ATOM 0 HE ARG A 18 9.073 3.453 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.164 3.201 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.634 2.221 5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.974 2.186 1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.662 1.645 3.297 1.00 0.00 H new ATOM 258 N GLN A 19 4.950 8.935 3.156 1.00 0.00 N ATOM 259 CA GLN A 19 4.598 10.160 3.853 1.00 0.00 C ATOM 260 C GLN A 19 3.098 10.187 4.154 1.00 0.00 C ATOM 261 O GLN A 19 2.683 10.640 5.220 1.00 0.00 O ATOM 262 CB GLN A 19 5.018 11.390 3.047 1.00 0.00 C ATOM 263 CG GLN A 19 3.929 11.790 2.050 1.00 0.00 C ATOM 264 CD GLN A 19 4.425 12.889 1.107 1.00 0.00 C ATOM 265 OE1 GLN A 19 3.858 13.965 1.013 1.00 0.00 O ATOM 266 NE2 GLN A 19 5.513 12.559 0.417 1.00 0.00 N ATOM 0 H GLN A 19 5.295 9.069 2.206 1.00 0.00 H new ATOM 0 HA GLN A 19 5.139 10.185 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.220 12.221 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.945 11.181 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.624 10.919 1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.048 12.139 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.938 11.640 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.922 13.224 -0.239 1.00 0.00 H new ATOM 275 N LYS A 20 2.325 9.697 3.195 1.00 0.00 N ATOM 276 CA LYS A 20 0.881 9.660 3.344 1.00 0.00 C ATOM 277 C LYS A 20 0.496 8.493 4.256 1.00 0.00 C ATOM 278 O LYS A 20 -0.417 8.612 5.071 1.00 0.00 O ATOM 279 CB LYS A 20 0.202 9.618 1.973 1.00 0.00 C ATOM 280 CG LYS A 20 0.213 10.999 1.314 1.00 0.00 C ATOM 281 CD LYS A 20 -0.343 10.931 -0.110 1.00 0.00 C ATOM 282 CE LYS A 20 -0.266 12.298 -0.794 1.00 0.00 C ATOM 283 NZ LYS A 20 -1.140 13.272 -0.105 1.00 0.00 N ATOM 0 H LYS A 20 2.672 9.323 2.312 1.00 0.00 H new ATOM 0 HA LYS A 20 0.524 10.571 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.714 8.901 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.826 9.271 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.381 11.694 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.231 11.388 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.219 10.198 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.378 10.591 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.763 12.657 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.566 12.206 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.236 14.126 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.078 12.849 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.721 13.526 0.812 1.00 0.00 H new ATOM 297 N PHE A 21 1.212 7.391 4.087 1.00 0.00 N ATOM 298 CA PHE A 21 0.957 6.203 4.885 1.00 0.00 C ATOM 299 C PHE A 21 2.244 5.695 5.538 1.00 0.00 C ATOM 300 O PHE A 21 2.760 4.642 5.165 1.00 0.00 O ATOM 301 CB PHE A 21 0.424 5.131 3.933 1.00 0.00 C ATOM 302 CG PHE A 21 -0.776 5.581 3.098 1.00 0.00 C ATOM 303 CD1 PHE A 21 -0.580 6.219 1.914 1.00 0.00 C ATOM 304 CD2 PHE A 21 -2.040 5.343 3.541 1.00 0.00 C ATOM 305 CE1 PHE A 21 -1.694 6.637 1.139 1.00 0.00 C ATOM 306 CE2 PHE A 21 -3.154 5.761 2.766 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.958 6.399 1.581 1.00 0.00 C ATOM 0 H PHE A 21 1.968 7.296 3.409 1.00 0.00 H new ATOM 0 HA PHE A 21 0.245 6.433 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.226 4.825 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.141 4.253 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.424 6.408 1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.196 4.836 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.538 7.144 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.157 5.572 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.805 6.716 0.991 1.00 0.00 H new ATOM 317 N PRO A 22 2.739 6.487 6.527 1.00 0.00 N ATOM 318 CA PRO A 22 3.955 6.127 7.235 1.00 0.00 C ATOM 319 C PRO A 22 3.698 4.991 8.227 1.00 0.00 C ATOM 320 O PRO A 22 4.534 4.104 8.390 1.00 0.00 O ATOM 321 CB PRO A 22 4.412 7.411 7.909 1.00 0.00 C ATOM 322 CG PRO A 22 3.195 8.322 7.938 1.00 0.00 C ATOM 323 CD PRO A 22 2.155 7.740 6.996 1.00 0.00 C ATOM 0 HA PRO A 22 4.729 5.743 6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.777 7.214 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.232 7.871 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.796 8.394 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.467 9.332 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.209 7.568 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.950 8.416 6.166 1.00 0.00 H new ATOM 331 N GLU A 23 2.537 5.055 8.862 1.00 0.00 N ATOM 332 CA GLU A 23 2.158 4.042 9.833 1.00 0.00 C ATOM 333 C GLU A 23 1.993 2.684 9.146 1.00 0.00 C ATOM 334 O GLU A 23 2.328 1.649 9.720 1.00 0.00 O ATOM 335 CB GLU A 23 0.881 4.442 10.573 1.00 0.00 C ATOM 336 CG GLU A 23 -0.241 4.777 9.588 1.00 0.00 C ATOM 337 CD GLU A 23 -1.612 4.654 10.256 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.717 5.093 11.421 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.525 4.124 9.586 1.00 0.00 O ATOM 0 H GLU A 23 1.846 5.792 8.723 1.00 0.00 H new ATOM 0 HA GLU A 23 2.955 3.959 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.565 3.629 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.080 5.304 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.107 5.790 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.189 4.106 8.730 1.00 0.00 H new ATOM 346 N VAL A 24 1.475 2.733 7.927 1.00 0.00 N ATOM 347 CA VAL A 24 1.261 1.520 7.157 1.00 0.00 C ATOM 348 C VAL A 24 2.605 0.831 6.913 1.00 0.00 C ATOM 349 O VAL A 24 3.618 1.496 6.701 1.00 0.00 O ATOM 350 CB VAL A 24 0.514 1.847 5.863 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.436 0.622 4.949 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.882 2.399 6.160 1.00 0.00 C ATOM 0 H VAL A 24 1.198 3.593 7.454 1.00 0.00 H new ATOM 0 HA VAL A 24 0.634 0.822 7.712 1.00 0.00 H new ATOM 0 HB VAL A 24 1.076 2.620 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.100 0.883 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.444 0.292 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.091 -0.182 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.392 2.623 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.456 1.658 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.795 3.310 6.752 1.00 0.00 H new ATOM 362 N PRO A 25 2.570 -0.528 6.953 1.00 0.00 N ATOM 363 CA PRO A 25 3.774 -1.314 6.739 1.00 0.00 C ATOM 364 C PRO A 25 4.160 -1.333 5.259 1.00 0.00 C ATOM 365 O PRO A 25 3.459 -1.922 4.438 1.00 0.00 O ATOM 366 CB PRO A 25 3.444 -2.694 7.285 1.00 0.00 C ATOM 367 CG PRO A 25 1.927 -2.762 7.358 1.00 0.00 C ATOM 368 CD PRO A 25 1.389 -1.349 7.202 1.00 0.00 C ATOM 0 HA PRO A 25 4.645 -0.897 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.839 -3.475 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.889 -2.841 8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.536 -3.408 6.572 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.609 -3.189 8.309 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.680 -1.284 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.863 -1.024 8.100 1.00 0.00 H new ATOM 376 N GLU A 26 5.275 -0.681 4.963 1.00 0.00 N ATOM 377 CA GLU A 26 5.763 -0.615 3.596 1.00 0.00 C ATOM 378 C GLU A 26 5.589 -1.969 2.905 1.00 0.00 C ATOM 379 O GLU A 26 5.143 -2.033 1.760 1.00 0.00 O ATOM 380 CB GLU A 26 7.224 -0.163 3.557 1.00 0.00 C ATOM 381 CG GLU A 26 7.667 0.138 2.123 1.00 0.00 C ATOM 382 CD GLU A 26 8.827 -0.768 1.707 1.00 0.00 C ATOM 383 OE1 GLU A 26 9.935 -0.554 2.244 1.00 0.00 O ATOM 384 OE2 GLU A 26 8.580 -1.654 0.860 1.00 0.00 O ATOM 0 H GLU A 26 5.854 -0.194 5.647 1.00 0.00 H new ATOM 0 HA GLU A 26 5.174 0.125 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.350 0.726 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.860 -0.939 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.828 -0.003 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.970 1.182 2.043 1.00 0.00 H new ATOM 391 N VAL A 27 5.951 -3.018 3.629 1.00 0.00 N ATOM 392 CA VAL A 27 5.841 -4.366 3.100 1.00 0.00 C ATOM 393 C VAL A 27 4.490 -4.526 2.399 1.00 0.00 C ATOM 394 O VAL A 27 4.409 -5.127 1.329 1.00 0.00 O ATOM 395 CB VAL A 27 6.058 -5.387 4.219 1.00 0.00 C ATOM 396 CG1 VAL A 27 5.271 -5.001 5.473 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.691 -6.797 3.753 1.00 0.00 C ATOM 0 H VAL A 27 6.321 -2.961 4.578 1.00 0.00 H new ATOM 0 HA VAL A 27 6.617 -4.548 2.356 1.00 0.00 H new ATOM 0 HB VAL A 27 7.118 -5.384 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.443 -5.743 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.601 -4.023 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.208 -4.962 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.854 -7.503 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.642 -6.821 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.315 -7.073 2.903 1.00 0.00 H new ATOM 407 N VAL A 28 3.463 -3.977 3.031 1.00 0.00 N ATOM 408 CA VAL A 28 2.120 -4.051 2.482 1.00 0.00 C ATOM 409 C VAL A 28 2.013 -3.111 1.279 1.00 0.00 C ATOM 410 O VAL A 28 1.480 -3.488 0.237 1.00 0.00 O ATOM 411 CB VAL A 28 1.091 -3.746 3.572 1.00 0.00 C ATOM 412 CG1 VAL A 28 -0.298 -3.526 2.970 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.063 -4.856 4.625 1.00 0.00 C ATOM 0 H VAL A 28 3.534 -3.479 3.918 1.00 0.00 H new ATOM 0 HA VAL A 28 1.908 -5.059 2.127 1.00 0.00 H new ATOM 0 HB VAL A 28 1.391 -2.822 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.010 -3.311 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.265 -2.686 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.610 -4.424 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.323 -4.615 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.800 -5.801 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.046 -4.944 5.087 1.00 0.00 H new ATOM 423 N VAL A 29 2.529 -1.904 1.464 1.00 0.00 N ATOM 424 CA VAL A 29 2.499 -0.907 0.408 1.00 0.00 C ATOM 425 C VAL A 29 3.073 -1.512 -0.875 1.00 0.00 C ATOM 426 O VAL A 29 2.403 -1.542 -1.906 1.00 0.00 O ATOM 427 CB VAL A 29 3.238 0.355 0.857 1.00 0.00 C ATOM 428 CG1 VAL A 29 3.284 1.393 -0.266 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.603 0.941 2.120 1.00 0.00 C ATOM 0 H VAL A 29 2.970 -1.595 2.330 1.00 0.00 H new ATOM 0 HA VAL A 29 1.473 -0.607 0.195 1.00 0.00 H new ATOM 0 HB VAL A 29 4.264 0.075 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.815 2.280 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.802 0.973 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.268 1.666 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.147 1.837 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.563 1.198 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.646 0.206 2.924 1.00 0.00 H new ATOM 439 N SER A 30 4.309 -1.978 -0.769 1.00 0.00 N ATOM 440 CA SER A 30 4.982 -2.580 -1.908 1.00 0.00 C ATOM 441 C SER A 30 4.007 -3.470 -2.681 1.00 0.00 C ATOM 442 O SER A 30 3.692 -3.194 -3.837 1.00 0.00 O ATOM 443 CB SER A 30 6.201 -3.389 -1.462 1.00 0.00 C ATOM 444 OG SER A 30 6.506 -4.441 -2.375 1.00 0.00 O ATOM 0 H SER A 30 4.862 -1.951 0.088 1.00 0.00 H new ATOM 0 HA SER A 30 5.330 -1.781 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.062 -2.727 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.016 -3.809 -0.473 1.00 0.00 H new ATOM 0 HG SER A 30 7.291 -4.933 -2.056 1.00 0.00 H new ATOM 450 N ARG A 31 3.557 -4.521 -2.011 1.00 0.00 N ATOM 451 CA ARG A 31 2.624 -5.454 -2.620 1.00 0.00 C ATOM 452 C ARG A 31 1.579 -4.698 -3.443 1.00 0.00 C ATOM 453 O ARG A 31 1.216 -5.127 -4.537 1.00 0.00 O ATOM 454 CB ARG A 31 1.915 -6.297 -1.559 1.00 0.00 C ATOM 455 CG ARG A 31 1.570 -7.685 -2.101 1.00 0.00 C ATOM 456 CD ARG A 31 0.850 -8.524 -1.043 1.00 0.00 C ATOM 457 NE ARG A 31 1.422 -9.888 -1.003 1.00 0.00 N ATOM 458 CZ ARG A 31 1.348 -10.764 -2.015 1.00 0.00 C ATOM 459 NH1 ARG A 31 0.726 -10.423 -3.152 1.00 0.00 N ATOM 460 NH2 ARG A 31 1.896 -11.980 -1.890 1.00 0.00 N ATOM 0 H ARG A 31 3.821 -4.747 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 31 3.195 -6.116 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.553 -6.394 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.004 -5.792 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.939 -7.588 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.482 -8.194 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.946 -8.052 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.215 -8.574 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 31 1.903 -10.180 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.309 -9.497 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.670 -11.089 -3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.370 -12.239 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.840 -12.646 -2.660 1.00 0.00 H new ATOM 474 N CYS A 32 1.125 -3.585 -2.885 1.00 0.00 N ATOM 475 CA CYS A 32 0.128 -2.766 -3.554 1.00 0.00 C ATOM 476 C CYS A 32 0.756 -2.186 -4.823 1.00 0.00 C ATOM 477 O CYS A 32 0.178 -2.280 -5.905 1.00 0.00 O ATOM 478 CB CYS A 32 -0.413 -1.670 -2.633 1.00 0.00 C ATOM 479 SG CYS A 32 -2.034 -1.082 -3.246 1.00 0.00 S ATOM 0 H CYS A 32 1.429 -3.231 -1.978 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.731 -3.381 -3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.516 -2.054 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.292 -0.840 -2.589 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.643 -2.052 -3.862 1.00 0.00 H new ATOM 485 N MET A 33 1.932 -1.600 -4.649 1.00 0.00 N ATOM 486 CA MET A 33 2.644 -1.005 -5.767 1.00 0.00 C ATOM 487 C MET A 33 2.887 -2.035 -6.872 1.00 0.00 C ATOM 488 O MET A 33 2.475 -1.834 -8.014 1.00 0.00 O ATOM 489 CB MET A 33 3.985 -0.451 -5.281 1.00 0.00 C ATOM 490 CG MET A 33 3.777 0.697 -4.291 1.00 0.00 C ATOM 491 SD MET A 33 5.343 1.462 -3.907 1.00 0.00 S ATOM 492 CE MET A 33 5.767 2.123 -5.510 1.00 0.00 C ATOM 0 H MET A 33 2.409 -1.525 -3.751 1.00 0.00 H new ATOM 0 HA MET A 33 2.034 -0.199 -6.175 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.560 -1.246 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.568 -0.101 -6.133 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.096 1.435 -4.715 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.313 0.322 -3.379 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.274 3.080 -5.386 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.427 1.427 -6.028 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.859 2.267 -6.096 1.00 0.00 H new ATOM 502 N LEU A 34 3.556 -3.115 -6.494 1.00 0.00 N ATOM 503 CA LEU A 34 3.859 -4.176 -7.439 1.00 0.00 C ATOM 504 C LEU A 34 2.571 -4.611 -8.141 1.00 0.00 C ATOM 505 O LEU A 34 2.614 -5.149 -9.246 1.00 0.00 O ATOM 506 CB LEU A 34 4.596 -5.321 -6.741 1.00 0.00 C ATOM 507 CG LEU A 34 6.122 -5.214 -6.706 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.742 -6.438 -6.030 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.688 -4.986 -8.109 1.00 0.00 C ATOM 0 H LEU A 34 3.896 -3.278 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 34 4.538 -3.815 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.233 -5.389 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.328 -6.254 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 34 6.390 -4.345 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.827 -6.337 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.374 -6.514 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.468 -7.337 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.774 -4.914 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.411 -5.821 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.282 -4.061 -8.519 1.00 0.00 H new ATOM 521 N GLN A 35 1.456 -4.362 -7.470 1.00 0.00 N ATOM 522 CA GLN A 35 0.158 -4.721 -8.016 1.00 0.00 C ATOM 523 C GLN A 35 -0.346 -3.622 -8.953 1.00 0.00 C ATOM 524 O GLN A 35 -0.933 -3.911 -9.995 1.00 0.00 O ATOM 525 CB GLN A 35 -0.850 -4.993 -6.898 1.00 0.00 C ATOM 526 CG GLN A 35 -0.759 -6.444 -6.419 1.00 0.00 C ATOM 527 CD GLN A 35 -1.948 -6.801 -5.525 1.00 0.00 C ATOM 528 OE1 GLN A 35 -3.033 -6.255 -5.642 1.00 0.00 O ATOM 529 NE2 GLN A 35 -1.685 -7.747 -4.628 1.00 0.00 N ATOM 0 H GLN A 35 1.425 -3.916 -6.553 1.00 0.00 H new ATOM 0 HA GLN A 35 0.269 -5.640 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.663 -4.318 -6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.859 -4.787 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.732 -7.114 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.171 -6.592 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.755 -8.163 -4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.414 -8.057 -3.985 1.00 0.00 H new ATOM 538 N ASN A 36 -0.099 -2.384 -8.550 1.00 0.00 N ATOM 539 CA ASN A 36 -0.521 -1.241 -9.341 1.00 0.00 C ATOM 540 C ASN A 36 0.648 -0.766 -10.207 1.00 0.00 C ATOM 541 O ASN A 36 0.685 0.390 -10.625 1.00 0.00 O ATOM 542 CB ASN A 36 -0.947 -0.078 -8.443 1.00 0.00 C ATOM 543 CG ASN A 36 -2.193 -0.438 -7.633 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.271 -0.650 -8.164 1.00 0.00 O ATOM 545 ND2 ASN A 36 -1.987 -0.497 -6.320 1.00 0.00 N ATOM 0 H ASN A 36 0.388 -2.148 -7.686 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.366 -1.550 -9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.132 0.181 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.148 0.803 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.757 -0.731 -5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.059 -0.308 -5.940 1.00 0.00 H new ATOM 552 N ASN A 37 1.573 -1.683 -10.450 1.00 0.00 N ATOM 553 CA ASN A 37 2.740 -1.372 -11.258 1.00 0.00 C ATOM 554 C ASN A 37 3.354 -0.057 -10.776 1.00 0.00 C ATOM 555 O ASN A 37 3.466 0.898 -11.543 1.00 0.00 O ATOM 556 CB ASN A 37 2.361 -1.205 -12.731 1.00 0.00 C ATOM 557 CG ASN A 37 3.572 -1.432 -13.638 1.00 0.00 C ATOM 558 OD1 ASN A 37 3.738 -2.477 -14.246 1.00 0.00 O ATOM 559 ND2 ASN A 37 4.406 -0.398 -13.694 1.00 0.00 N ATOM 0 H ASN A 37 1.538 -2.641 -10.102 1.00 0.00 H new ATOM 0 HA ASN A 37 3.448 -2.195 -11.158 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.571 -1.911 -12.989 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.961 -0.205 -12.896 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.245 -0.450 -14.272 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.207 0.447 -13.159 1.00 0.00 H new ATOM 566 N ASN A 38 3.735 -0.049 -9.507 1.00 0.00 N ATOM 567 CA ASN A 38 4.335 1.134 -8.913 1.00 0.00 C ATOM 568 C ASN A 38 3.514 2.366 -9.300 1.00 0.00 C ATOM 569 O ASN A 38 3.777 2.996 -10.323 1.00 0.00 O ATOM 570 CB ASN A 38 5.764 1.341 -9.420 1.00 0.00 C ATOM 571 CG ASN A 38 6.421 0.003 -9.769 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.793 -0.258 -10.901 1.00 0.00 O ATOM 573 ND2 ASN A 38 6.541 -0.826 -8.736 1.00 0.00 N ATOM 0 H ASN A 38 3.640 -0.843 -8.874 1.00 0.00 H new ATOM 0 HA ASN A 38 4.352 0.996 -7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.752 1.985 -10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.353 1.852 -8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.966 -1.744 -8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.208 -0.544 -7.814 1.00 0.00 H new ATOM 580 N ASN A 39 2.536 2.673 -8.461 1.00 0.00 N ATOM 581 CA ASN A 39 1.674 3.818 -8.702 1.00 0.00 C ATOM 582 C ASN A 39 1.582 4.659 -7.427 1.00 0.00 C ATOM 583 O ASN A 39 1.802 4.152 -6.328 1.00 0.00 O ATOM 584 CB ASN A 39 0.260 3.373 -9.079 1.00 0.00 C ATOM 585 CG ASN A 39 -0.133 3.905 -10.459 1.00 0.00 C ATOM 586 OD1 ASN A 39 -0.209 5.100 -10.693 1.00 0.00 O ATOM 587 ND2 ASN A 39 -0.378 2.954 -11.356 1.00 0.00 N ATOM 0 H ASN A 39 2.321 2.149 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 39 2.101 4.395 -9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.205 2.284 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.449 3.731 -8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.648 3.207 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.296 1.972 -11.093 1.00 0.00 H new ATOM 594 N LEU A 40 1.255 5.929 -7.617 1.00 0.00 N ATOM 595 CA LEU A 40 1.131 6.844 -6.496 1.00 0.00 C ATOM 596 C LEU A 40 -0.325 6.874 -6.026 1.00 0.00 C ATOM 597 O LEU A 40 -0.657 6.304 -4.988 1.00 0.00 O ATOM 598 CB LEU A 40 1.686 8.222 -6.865 1.00 0.00 C ATOM 599 CG LEU A 40 2.464 8.948 -5.765 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.603 9.780 -6.358 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.528 9.792 -4.898 1.00 0.00 C ATOM 0 H LEU A 40 1.072 6.345 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 40 1.731 6.498 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.339 8.109 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.855 8.856 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 40 2.917 8.199 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.140 10.286 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.288 9.126 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.193 10.521 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.106 10.297 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.027 10.534 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.783 9.147 -4.432 1.00 0.00 H new ATOM 613 N ASP A 41 -1.154 7.544 -6.813 1.00 0.00 N ATOM 614 CA ASP A 41 -2.566 7.655 -6.490 1.00 0.00 C ATOM 615 C ASP A 41 -3.186 6.257 -6.444 1.00 0.00 C ATOM 616 O ASP A 41 -3.754 5.859 -5.428 1.00 0.00 O ATOM 617 CB ASP A 41 -3.311 8.467 -7.551 1.00 0.00 C ATOM 618 CG ASP A 41 -4.154 9.622 -7.007 1.00 0.00 C ATOM 619 OD1 ASP A 41 -4.800 9.409 -5.959 1.00 0.00 O ATOM 620 OD2 ASP A 41 -4.134 10.693 -7.653 1.00 0.00 O ATOM 0 H ASP A 41 -0.875 8.015 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.653 8.155 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.584 8.869 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.961 7.795 -8.111 1.00 0.00 H new ATOM 625 N ALA A 42 -3.055 5.549 -7.556 1.00 0.00 N ATOM 626 CA ALA A 42 -3.595 4.204 -7.655 1.00 0.00 C ATOM 627 C ALA A 42 -3.346 3.461 -6.341 1.00 0.00 C ATOM 628 O ALA A 42 -4.218 2.741 -5.856 1.00 0.00 O ATOM 629 CB ALA A 42 -2.970 3.490 -8.856 1.00 0.00 C ATOM 0 H ALA A 42 -2.583 5.882 -8.397 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.672 4.234 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.375 2.481 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.200 4.042 -9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.889 3.438 -8.726 1.00 0.00 H new ATOM 635 N CYS A 43 -2.153 3.661 -5.802 1.00 0.00 N ATOM 636 CA CYS A 43 -1.779 3.020 -4.553 1.00 0.00 C ATOM 637 C CYS A 43 -2.545 3.699 -3.415 1.00 0.00 C ATOM 638 O CYS A 43 -3.317 3.052 -2.709 1.00 0.00 O ATOM 639 CB CYS A 43 -0.266 3.060 -4.327 1.00 0.00 C ATOM 640 SG CYS A 43 0.242 1.677 -3.241 1.00 0.00 S ATOM 0 H CYS A 43 -1.432 4.258 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.047 1.964 -4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.255 2.993 -5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.017 4.011 -3.876 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.683 0.763 -3.240 1.00 0.00 H new ATOM 646 N CYS A 44 -2.304 4.994 -3.273 1.00 0.00 N ATOM 647 CA CYS A 44 -2.961 5.768 -2.234 1.00 0.00 C ATOM 648 C CYS A 44 -4.433 5.353 -2.184 1.00 0.00 C ATOM 649 O CYS A 44 -4.924 4.919 -1.143 1.00 0.00 O ATOM 650 CB CYS A 44 -2.800 7.272 -2.461 1.00 0.00 C ATOM 651 SG CYS A 44 -3.671 8.201 -1.147 1.00 0.00 S ATOM 0 H CYS A 44 -1.663 5.527 -3.860 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.493 5.560 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.743 7.536 -2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.200 7.546 -3.437 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.127 7.938 0.004 1.00 0.00 H new ATOM 657 N ALA A 45 -5.095 5.500 -3.322 1.00 0.00 N ATOM 658 CA ALA A 45 -6.501 5.146 -3.421 1.00 0.00 C ATOM 659 C ALA A 45 -6.749 3.844 -2.656 1.00 0.00 C ATOM 660 O ALA A 45 -7.742 3.721 -1.940 1.00 0.00 O ATOM 661 CB ALA A 45 -6.899 5.041 -4.894 1.00 0.00 C ATOM 0 H ALA A 45 -4.684 5.859 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.124 5.918 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.954 4.775 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.731 5.999 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.297 4.273 -5.380 1.00 0.00 H new ATOM 667 N VAL A 46 -5.830 2.906 -2.833 1.00 0.00 N ATOM 668 CA VAL A 46 -5.937 1.619 -2.168 1.00 0.00 C ATOM 669 C VAL A 46 -5.491 1.763 -0.712 1.00 0.00 C ATOM 670 O VAL A 46 -6.249 1.455 0.207 1.00 0.00 O ATOM 671 CB VAL A 46 -5.138 0.565 -2.937 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.104 -0.761 -2.175 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.699 0.372 -4.347 1.00 0.00 C ATOM 0 H VAL A 46 -5.008 3.012 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.973 1.279 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.113 0.924 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.530 -1.493 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.637 -0.610 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.121 -1.127 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.113 -0.382 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.737 0.046 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.647 1.315 -4.891 1.00 0.00 H new ATOM 683 N LEU A 47 -4.262 2.230 -0.547 1.00 0.00 N ATOM 684 CA LEU A 47 -3.706 2.419 0.782 1.00 0.00 C ATOM 685 C LEU A 47 -4.767 3.043 1.691 1.00 0.00 C ATOM 686 O LEU A 47 -4.750 2.837 2.903 1.00 0.00 O ATOM 687 CB LEU A 47 -2.407 3.224 0.710 1.00 0.00 C ATOM 688 CG LEU A 47 -1.200 2.498 0.113 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.101 3.489 -0.275 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.686 1.415 1.064 1.00 0.00 C ATOM 0 H LEU A 47 -3.636 2.483 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.435 1.459 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.592 4.123 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.148 3.549 1.718 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.520 1.998 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.745 2.947 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.488 4.190 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.224 4.037 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.172 0.914 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.387 1.871 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.476 0.687 1.247 1.00 0.00 H new ATOM 702 N SER A 48 -5.665 3.794 1.070 1.00 0.00 N ATOM 703 CA SER A 48 -6.731 4.450 1.807 1.00 0.00 C ATOM 704 C SER A 48 -7.775 3.420 2.244 1.00 0.00 C ATOM 705 O SER A 48 -8.175 3.392 3.407 1.00 0.00 O ATOM 706 CB SER A 48 -7.387 5.547 0.967 1.00 0.00 C ATOM 707 OG SER A 48 -8.706 5.848 1.417 1.00 0.00 O ATOM 0 H SER A 48 -5.676 3.963 0.064 1.00 0.00 H new ATOM 0 HA SER A 48 -6.298 4.917 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.776 6.449 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.423 5.232 -0.076 1.00 0.00 H new ATOM 0 HG SER A 48 -9.090 6.554 0.856 1.00 0.00 H new ATOM 713 N GLN A 49 -8.186 2.600 1.289 1.00 0.00 N ATOM 714 CA GLN A 49 -9.176 1.571 1.560 1.00 0.00 C ATOM 715 C GLN A 49 -8.548 0.429 2.362 1.00 0.00 C ATOM 716 O GLN A 49 -9.163 -0.093 3.290 1.00 0.00 O ATOM 717 CB GLN A 49 -9.798 1.052 0.262 1.00 0.00 C ATOM 718 CG GLN A 49 -8.948 -0.065 -0.345 1.00 0.00 C ATOM 719 CD GLN A 49 -9.585 -0.603 -1.628 1.00 0.00 C ATOM 720 OE1 GLN A 49 -10.039 0.139 -2.484 1.00 0.00 O ATOM 721 NE2 GLN A 49 -9.593 -1.930 -1.714 1.00 0.00 N ATOM 0 H GLN A 49 -7.852 2.627 0.326 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.975 2.011 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.804 0.682 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.894 1.870 -0.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.948 0.311 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.835 -0.874 0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.196 -2.492 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.996 -2.386 -2.533 1.00 0.00 H new ATOM 730 N GLU A 50 -7.332 0.075 1.973 1.00 0.00 N ATOM 731 CA GLU A 50 -6.614 -0.996 2.644 1.00 0.00 C ATOM 732 C GLU A 50 -6.418 -0.658 4.124 1.00 0.00 C ATOM 733 O GLU A 50 -6.734 -1.466 4.996 1.00 0.00 O ATOM 734 CB GLU A 50 -5.272 -1.269 1.962 1.00 0.00 C ATOM 735 CG GLU A 50 -5.451 -2.178 0.744 1.00 0.00 C ATOM 736 CD GLU A 50 -5.700 -3.625 1.173 1.00 0.00 C ATOM 737 OE1 GLU A 50 -4.693 -4.328 1.407 1.00 0.00 O ATOM 738 OE2 GLU A 50 -6.891 -3.996 1.256 1.00 0.00 O ATOM 0 H GLU A 50 -6.826 0.510 1.202 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.211 -1.905 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.818 -0.327 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.588 -1.735 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.288 -1.824 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.562 -2.129 0.115 1.00 0.00 H new ATOM 745 N SER A 51 -5.898 0.537 4.361 1.00 0.00 N ATOM 746 CA SER A 51 -5.656 0.992 5.719 1.00 0.00 C ATOM 747 C SER A 51 -6.809 0.562 6.628 1.00 0.00 C ATOM 748 O SER A 51 -6.594 -0.116 7.632 1.00 0.00 O ATOM 749 CB SER A 51 -5.478 2.511 5.768 1.00 0.00 C ATOM 750 OG SER A 51 -5.823 3.048 7.043 1.00 0.00 O ATOM 0 H SER A 51 -5.637 1.204 3.635 1.00 0.00 H new ATOM 0 HA SER A 51 -4.732 0.534 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.443 2.762 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.098 2.974 5.000 1.00 0.00 H new ATOM 0 HG SER A 51 -5.695 4.020 7.034 1.00 0.00 H new ATOM 756 N THR A 52 -8.008 0.975 6.244 1.00 0.00 N ATOM 757 CA THR A 52 -9.196 0.641 7.012 1.00 0.00 C ATOM 758 C THR A 52 -9.320 -0.875 7.170 1.00 0.00 C ATOM 759 O THR A 52 -9.713 -1.363 8.229 1.00 0.00 O ATOM 760 CB THR A 52 -10.401 1.281 6.320 1.00 0.00 C ATOM 761 OG1 THR A 52 -10.142 2.680 6.394 1.00 0.00 O ATOM 762 CG2 THR A 52 -11.696 1.099 7.114 1.00 0.00 C ATOM 0 H THR A 52 -8.183 1.538 5.411 1.00 0.00 H new ATOM 0 HA THR A 52 -9.137 1.037 8.026 1.00 0.00 H new ATOM 0 HB THR A 52 -10.520 0.849 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.874 3.171 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.520 1.571 6.579 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.903 0.036 7.233 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.589 1.560 8.096 1.00 0.00 H new ATOM 770 N ARG A 53 -8.977 -1.580 6.101 1.00 0.00 N ATOM 771 CA ARG A 53 -9.045 -3.031 6.108 1.00 0.00 C ATOM 772 C ARG A 53 -8.173 -3.598 7.230 1.00 0.00 C ATOM 773 O ARG A 53 -8.498 -4.633 7.810 1.00 0.00 O ATOM 774 CB ARG A 53 -8.583 -3.610 4.769 1.00 0.00 C ATOM 775 CG ARG A 53 -9.386 -4.862 4.407 1.00 0.00 C ATOM 776 CD ARG A 53 -9.122 -5.990 5.406 1.00 0.00 C ATOM 777 NE ARG A 53 -9.007 -7.281 4.692 1.00 0.00 N ATOM 778 CZ ARG A 53 -8.727 -8.448 5.289 1.00 0.00 C ATOM 779 NH1 ARG A 53 -8.532 -8.492 6.614 1.00 0.00 N ATOM 780 NH2 ARG A 53 -8.642 -9.570 4.561 1.00 0.00 N ATOM 0 H ARG A 53 -8.651 -1.173 5.224 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.085 -3.314 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.698 -2.861 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.522 -3.856 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.450 -4.625 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.120 -5.191 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.205 -5.789 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.931 -6.039 6.135 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.150 -7.283 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.597 -7.638 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.319 -9.380 7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.790 -9.536 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.429 -10.458 5.016 1.00 0.00 H new ATOM 794 N TYR A 54 -7.084 -2.895 7.502 1.00 0.00 N ATOM 795 CA TYR A 54 -6.162 -3.316 8.544 1.00 0.00 C ATOM 796 C TYR A 54 -6.529 -2.683 9.888 1.00 0.00 C ATOM 797 O TYR A 54 -6.211 -3.230 10.943 1.00 0.00 O ATOM 798 CB TYR A 54 -4.783 -2.812 8.116 1.00 0.00 C ATOM 799 CG TYR A 54 -4.140 -3.634 6.997 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.802 -3.805 5.798 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.897 -4.204 7.187 1.00 0.00 C ATOM 802 CE1 TYR A 54 -4.197 -4.579 4.745 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.292 -4.978 6.134 1.00 0.00 C ATOM 804 CZ TYR A 54 -2.972 -5.127 4.965 1.00 0.00 C ATOM 805 OH TYR A 54 -2.400 -5.858 3.970 1.00 0.00 O ATOM 0 H TYR A 54 -6.819 -2.037 7.019 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.191 -4.399 8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.872 -1.777 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.121 -2.816 8.982 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.774 -3.358 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.379 -4.070 8.125 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.704 -4.721 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.320 -5.430 6.269 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.526 -6.187 4.267 1.00 0.00 H new ATOM 815 N LEU A 55 -7.192 -1.539 9.805 1.00 0.00 N ATOM 816 CA LEU A 55 -7.605 -0.826 11.002 1.00 0.00 C ATOM 817 C LEU A 55 -8.916 -1.422 11.519 1.00 0.00 C ATOM 818 O LEU A 55 -8.928 -2.523 12.067 1.00 0.00 O ATOM 819 CB LEU A 55 -7.679 0.678 10.731 1.00 0.00 C ATOM 820 CG LEU A 55 -6.348 1.433 10.770 1.00 0.00 C ATOM 821 CD1 LEU A 55 -6.145 2.252 9.495 1.00 0.00 C ATOM 822 CD2 LEU A 55 -6.245 2.296 12.029 1.00 0.00 C ATOM 0 H LEU A 55 -7.453 -1.088 8.928 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.865 -0.949 11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.131 0.829 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.350 1.127 11.464 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.541 0.702 10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.192 2.778 9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.144 1.587 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.954 2.976 9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.290 2.822 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.059 3.021 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.313 1.661 12.912 1.00 0.00 H new ATOM 834 N TYR A 56 -9.989 -0.668 11.326 1.00 0.00 N ATOM 835 CA TYR A 56 -11.302 -1.109 11.766 1.00 0.00 C ATOM 836 C TYR A 56 -11.579 -2.544 11.314 1.00 0.00 C ATOM 837 O TYR A 56 -12.410 -3.234 11.902 1.00 0.00 O ATOM 838 CB TYR A 56 -12.308 -0.172 11.094 1.00 0.00 C ATOM 839 CG TYR A 56 -12.457 1.183 11.788 1.00 0.00 C ATOM 840 CD1 TYR A 56 -11.580 2.208 11.498 1.00 0.00 C ATOM 841 CD2 TYR A 56 -13.469 1.380 12.706 1.00 0.00 C ATOM 842 CE1 TYR A 56 -11.720 3.483 12.152 1.00 0.00 C ATOM 843 CE2 TYR A 56 -13.609 2.655 13.360 1.00 0.00 C ATOM 844 CZ TYR A 56 -12.728 3.644 13.050 1.00 0.00 C ATOM 845 OH TYR A 56 -12.861 4.848 13.668 1.00 0.00 O ATOM 0 H TYR A 56 -9.976 0.245 10.871 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.370 -1.086 12.854 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.002 -0.008 10.061 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.281 -0.662 11.064 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.788 2.054 10.780 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -14.156 0.578 12.934 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.040 4.293 11.934 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -14.396 2.822 14.081 1.00 0.00 H new ATOM 0 HH TYR A 56 -13.624 4.818 14.282 1.00 0.00 H new ATOM 855 N GLY A 57 -10.866 -2.951 10.273 1.00 0.00 N ATOM 856 CA GLY A 57 -11.025 -4.291 9.736 1.00 0.00 C ATOM 857 C GLY A 57 -12.040 -4.307 8.592 1.00 0.00 C ATOM 858 O GLY A 57 -11.663 -4.295 7.421 1.00 0.00 O ATOM 0 H GLY A 57 -10.177 -2.376 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.063 -4.660 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.352 -4.967 10.526 1.00 0.00 H new ATOM 862 N GLU A 58 -13.310 -4.333 8.970 1.00 0.00 N ATOM 863 CA GLU A 58 -14.383 -4.350 7.991 1.00 0.00 C ATOM 864 C GLU A 58 -14.324 -5.634 7.161 1.00 0.00 C ATOM 865 O GLU A 58 -13.938 -5.607 5.994 1.00 0.00 O ATOM 866 CB GLU A 58 -14.324 -3.114 7.091 1.00 0.00 C ATOM 867 CG GLU A 58 -15.555 -2.228 7.295 1.00 0.00 C ATOM 868 CD GLU A 58 -15.189 -0.746 7.183 1.00 0.00 C ATOM 869 OE1 GLU A 58 -15.104 -0.269 6.031 1.00 0.00 O ATOM 870 OE2 GLU A 58 -15.002 -0.125 8.251 1.00 0.00 O ATOM 0 H GLU A 58 -13.620 -4.343 9.942 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.334 -4.327 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.421 -2.544 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.262 -3.422 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -16.313 -2.476 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -15.991 -2.425 8.274 1.00 0.00 H new ATOM 877 N GLY A 59 -14.713 -6.730 7.797 1.00 0.00 N ATOM 878 CA GLY A 59 -14.709 -8.022 7.133 1.00 0.00 C ATOM 879 C GLY A 59 -13.620 -8.930 7.707 1.00 0.00 C ATOM 880 O GLY A 59 -12.575 -9.121 7.086 1.00 0.00 O ATOM 0 H GLY A 59 -15.033 -6.749 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.683 -8.498 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.547 -7.885 6.064 1.00 0.00 H new ATOM 884 N ASP A 60 -13.901 -9.467 8.885 1.00 0.00 N ATOM 885 CA ASP A 60 -12.958 -10.350 9.549 1.00 0.00 C ATOM 886 C ASP A 60 -12.585 -11.494 8.604 1.00 0.00 C ATOM 887 O ASP A 60 -13.401 -12.374 8.336 1.00 0.00 O ATOM 888 CB ASP A 60 -13.571 -10.961 10.811 1.00 0.00 C ATOM 889 CG ASP A 60 -13.249 -10.220 12.110 1.00 0.00 C ATOM 890 OD1 ASP A 60 -12.127 -10.431 12.621 1.00 0.00 O ATOM 891 OD2 ASP A 60 -14.131 -9.459 12.563 1.00 0.00 O ATOM 0 H ASP A 60 -14.769 -9.307 9.397 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.081 -9.763 9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.654 -10.997 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.226 -11.991 10.903 1.00 0.00 H new ATOM 896 N LEU A 61 -11.350 -11.444 8.126 1.00 0.00 N ATOM 897 CA LEU A 61 -10.859 -12.465 7.216 1.00 0.00 C ATOM 898 C LEU A 61 -9.495 -12.961 7.702 1.00 0.00 C ATOM 899 O LEU A 61 -9.413 -13.710 8.674 1.00 0.00 O ATOM 900 CB LEU A 61 -10.846 -11.941 5.779 1.00 0.00 C ATOM 901 CG LEU A 61 -12.213 -11.630 5.166 1.00 0.00 C ATOM 902 CD1 LEU A 61 -12.064 -10.821 3.876 1.00 0.00 C ATOM 903 CD2 LEU A 61 -13.022 -12.910 4.950 1.00 0.00 C ATOM 0 H LEU A 61 -10.675 -10.713 8.352 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.529 -13.325 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.242 -11.034 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.347 -12.677 5.149 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.770 -11.013 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.050 -10.613 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.556 -9.881 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.479 -11.391 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.989 -12.660 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.480 -13.573 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.174 -13.410 5.907 1.00 0.00 H new ATOM 915 N ASN A 62 -8.458 -12.524 7.002 1.00 0.00 N ATOM 916 CA ASN A 62 -7.103 -12.914 7.350 1.00 0.00 C ATOM 917 C ASN A 62 -6.883 -14.378 6.963 1.00 0.00 C ATOM 918 O ASN A 62 -7.840 -15.135 6.813 1.00 0.00 O ATOM 919 CB ASN A 62 -6.860 -12.782 8.855 1.00 0.00 C ATOM 920 CG ASN A 62 -5.413 -12.378 9.144 1.00 0.00 C ATOM 921 OD1 ASN A 62 -4.862 -11.472 8.540 1.00 0.00 O ATOM 922 ND2 ASN A 62 -4.831 -13.099 10.097 1.00 0.00 N ATOM 0 H ASN A 62 -8.530 -11.904 6.196 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.416 -12.258 6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.539 -12.039 9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.082 -13.729 9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.865 -12.908 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.350 -13.843 10.562 1.00 0.00 H new ATOM 929 N PHE A 63 -5.615 -14.732 6.811 1.00 0.00 N ATOM 930 CA PHE A 63 -5.257 -16.092 6.444 1.00 0.00 C ATOM 931 C PHE A 63 -3.814 -16.406 6.844 1.00 0.00 C ATOM 932 O PHE A 63 -2.927 -15.567 6.691 1.00 0.00 O ATOM 933 CB PHE A 63 -5.386 -16.193 4.923 1.00 0.00 C ATOM 934 CG PHE A 63 -6.761 -15.792 4.387 1.00 0.00 C ATOM 935 CD1 PHE A 63 -7.786 -16.686 4.406 1.00 0.00 C ATOM 936 CD2 PHE A 63 -6.959 -14.541 3.891 1.00 0.00 C ATOM 937 CE1 PHE A 63 -9.063 -16.313 3.909 1.00 0.00 C ATOM 938 CE2 PHE A 63 -8.236 -14.168 3.394 1.00 0.00 C ATOM 939 CZ PHE A 63 -9.261 -15.062 3.413 1.00 0.00 C ATOM 0 H PHE A 63 -4.823 -14.101 6.935 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.909 -16.800 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.629 -15.559 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.173 -17.218 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.629 -17.680 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.145 -13.831 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.877 -17.023 3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.393 -13.174 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.232 -14.779 3.034 1.00 0.00 H new ATOM 949 N SER A 64 -3.623 -17.616 7.348 1.00 0.00 N ATOM 950 CA SER A 64 -2.303 -18.051 7.771 1.00 0.00 C ATOM 951 C SER A 64 -1.367 -18.133 6.564 1.00 0.00 C ATOM 952 O SER A 64 -1.797 -18.473 5.463 1.00 0.00 O ATOM 953 CB SER A 64 -2.370 -19.404 8.482 1.00 0.00 C ATOM 954 OG SER A 64 -2.340 -19.264 9.900 1.00 0.00 O ATOM 0 H SER A 64 -4.361 -18.309 7.473 1.00 0.00 H new ATOM 0 HA SER A 64 -1.912 -17.318 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.282 -19.923 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.533 -20.024 8.161 1.00 0.00 H new ATOM 0 HG SER A 64 -2.386 -20.150 10.317 1.00 0.00 H new ATOM 960 N ASP A 65 -0.105 -17.814 6.811 1.00 0.00 N ATOM 961 CA ASP A 65 0.895 -17.847 5.757 1.00 0.00 C ATOM 962 C ASP A 65 2.259 -18.183 6.365 1.00 0.00 C ATOM 963 O ASP A 65 2.527 -17.852 7.519 1.00 0.00 O ATOM 964 CB ASP A 65 1.009 -16.488 5.064 1.00 0.00 C ATOM 965 CG ASP A 65 0.959 -16.536 3.535 1.00 0.00 C ATOM 966 OD1 ASP A 65 0.721 -17.645 3.010 1.00 0.00 O ATOM 967 OD2 ASP A 65 1.159 -15.462 2.927 1.00 0.00 O ATOM 0 H ASP A 65 0.248 -17.531 7.725 1.00 0.00 H new ATOM 0 HA ASP A 65 0.593 -18.600 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.202 -15.847 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.945 -16.020 5.368 1.00 0.00 H new ATOM 972 N ASP A 66 3.084 -18.836 5.561 1.00 0.00 N ATOM 973 CA ASP A 66 4.413 -19.221 6.005 1.00 0.00 C ATOM 974 C ASP A 66 5.432 -18.859 4.922 1.00 0.00 C ATOM 975 O ASP A 66 5.059 -18.553 3.791 1.00 0.00 O ATOM 976 CB ASP A 66 4.498 -20.729 6.248 1.00 0.00 C ATOM 977 CG ASP A 66 4.062 -21.184 7.642 1.00 0.00 C ATOM 978 OD1 ASP A 66 3.070 -20.611 8.142 1.00 0.00 O ATOM 979 OD2 ASP A 66 4.731 -22.095 8.177 1.00 0.00 O ATOM 0 H ASP A 66 2.858 -19.109 4.604 1.00 0.00 H new ATOM 0 HA ASP A 66 4.623 -18.694 6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.881 -21.237 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.526 -21.051 6.082 1.00 0.00 H new ATOM 984 N SER A 67 6.699 -18.906 5.308 1.00 0.00 N ATOM 985 CA SER A 67 7.775 -18.587 4.384 1.00 0.00 C ATOM 986 C SER A 67 7.660 -17.130 3.931 1.00 0.00 C ATOM 987 O SER A 67 6.558 -16.627 3.721 1.00 0.00 O ATOM 988 CB SER A 67 7.757 -19.523 3.174 1.00 0.00 C ATOM 989 OG SER A 67 8.581 -20.668 3.373 1.00 0.00 O ATOM 0 H SER A 67 7.005 -19.160 6.247 1.00 0.00 H new ATOM 0 HA SER A 67 8.724 -18.726 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.733 -19.843 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.096 -18.981 2.291 1.00 0.00 H new ATOM 0 HG SER A 67 8.541 -21.241 2.579 1.00 0.00 H new ATOM 995 N GLY A 68 8.814 -16.494 3.793 1.00 0.00 N ATOM 996 CA GLY A 68 8.858 -15.106 3.369 1.00 0.00 C ATOM 997 C GLY A 68 10.255 -14.726 2.876 1.00 0.00 C ATOM 998 O GLY A 68 11.114 -15.591 2.707 1.00 0.00 O ATOM 0 H GLY A 68 9.726 -16.915 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.131 -14.942 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.573 -14.460 4.199 1.00 0.00 H new ATOM 1002 N ILE A 69 10.440 -13.432 2.658 1.00 0.00 N ATOM 1003 CA ILE A 69 11.719 -12.928 2.187 1.00 0.00 C ATOM 1004 C ILE A 69 12.094 -11.678 2.985 1.00 0.00 C ATOM 1005 O ILE A 69 11.258 -10.803 3.204 1.00 0.00 O ATOM 1006 CB ILE A 69 11.683 -12.704 0.674 1.00 0.00 C ATOM 1007 CG1 ILE A 69 11.469 -14.023 -0.071 1.00 0.00 C ATOM 1008 CG2 ILE A 69 12.940 -11.973 0.198 1.00 0.00 C ATOM 1009 CD1 ILE A 69 10.552 -13.828 -1.279 1.00 0.00 C ATOM 0 H ILE A 69 9.726 -12.718 2.799 1.00 0.00 H new ATOM 0 HA ILE A 69 12.505 -13.664 2.358 1.00 0.00 H new ATOM 0 HB ILE A 69 10.832 -12.063 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.430 -14.419 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.035 -14.760 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.889 -11.826 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.007 -11.004 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.821 -12.567 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.417 -14.781 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.584 -13.455 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 69 11.001 -13.109 -1.964 1.00 0.00 H new ATOM 1021 N SER A 70 13.352 -11.633 3.398 1.00 0.00 N ATOM 1022 CA SER A 70 13.848 -10.505 4.168 1.00 0.00 C ATOM 1023 C SER A 70 15.013 -9.840 3.430 1.00 0.00 C ATOM 1024 O SER A 70 16.068 -10.447 3.255 1.00 0.00 O ATOM 1025 CB SER A 70 14.286 -10.942 5.567 1.00 0.00 C ATOM 1026 OG SER A 70 13.330 -10.587 6.561 1.00 0.00 O ATOM 0 H SER A 70 14.043 -12.360 3.214 1.00 0.00 H new ATOM 0 HA SER A 70 13.038 -9.785 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.437 -12.021 5.579 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.245 -10.483 5.806 1.00 0.00 H new ATOM 0 HG SER A 70 13.646 -10.885 7.440 1.00 0.00 H new ATOM 1032 N GLY A 71 14.781 -8.603 3.018 1.00 0.00 N ATOM 1033 CA GLY A 71 15.797 -7.849 2.303 1.00 0.00 C ATOM 1034 C GLY A 71 17.103 -7.799 3.099 1.00 0.00 C ATOM 1035 O GLY A 71 17.099 -7.969 4.317 1.00 0.00 O ATOM 0 H GLY A 71 13.904 -8.103 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.977 -8.306 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.440 -6.836 2.118 1.00 0.00 H new ATOM 1039 N PRO A 72 18.218 -7.557 2.359 1.00 0.00 N ATOM 1040 CA PRO A 72 19.528 -7.482 2.983 1.00 0.00 C ATOM 1041 C PRO A 72 19.701 -6.162 3.738 1.00 0.00 C ATOM 1042 O PRO A 72 18.778 -5.352 3.798 1.00 0.00 O ATOM 1043 CB PRO A 72 20.518 -7.647 1.841 1.00 0.00 C ATOM 1044 CG PRO A 72 19.742 -7.344 0.570 1.00 0.00 C ATOM 1045 CD PRO A 72 18.261 -7.350 0.915 1.00 0.00 C ATOM 0 HA PRO A 72 19.679 -8.254 3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.362 -6.967 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.924 -8.658 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 72 20.036 -6.375 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 72 19.958 -8.089 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 17.785 -6.410 0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.734 -8.144 0.385 1.00 0.00 H new ATOM 1053 N SER A 73 20.891 -5.987 4.294 1.00 0.00 N ATOM 1054 CA SER A 73 21.197 -4.780 5.042 1.00 0.00 C ATOM 1055 C SER A 73 22.705 -4.681 5.283 1.00 0.00 C ATOM 1056 O SER A 73 23.361 -5.686 5.551 1.00 0.00 O ATOM 1057 CB SER A 73 20.444 -4.751 6.374 1.00 0.00 C ATOM 1058 OG SER A 73 20.711 -5.907 7.163 1.00 0.00 O ATOM 0 H SER A 73 21.655 -6.661 4.241 1.00 0.00 H new ATOM 0 HA SER A 73 20.872 -3.922 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.727 -3.858 6.931 1.00 0.00 H new ATOM 0 HB3 SER A 73 19.373 -4.681 6.184 1.00 0.00 H new ATOM 0 HG SER A 73 20.214 -5.850 8.005 1.00 0.00 H new ATOM 1064 N SER A 74 23.210 -3.460 5.178 1.00 0.00 N ATOM 1065 CA SER A 74 24.628 -3.217 5.381 1.00 0.00 C ATOM 1066 C SER A 74 24.897 -2.889 6.850 1.00 0.00 C ATOM 1067 O SER A 74 24.389 -1.898 7.372 1.00 0.00 O ATOM 1068 CB SER A 74 25.126 -2.083 4.483 1.00 0.00 C ATOM 1069 OG SER A 74 24.914 -0.803 5.073 1.00 0.00 O ATOM 0 H SER A 74 22.662 -2.629 4.955 1.00 0.00 H new ATOM 0 HA SER A 74 25.173 -4.122 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 26.189 -2.219 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 74 24.613 -2.129 3.522 1.00 0.00 H new ATOM 0 HG SER A 74 24.455 -0.911 5.932 1.00 0.00 H new ATOM 1075 N GLY A 75 25.697 -3.740 7.477 1.00 0.00 N ATOM 1076 CA GLY A 75 26.040 -3.552 8.876 1.00 0.00 C ATOM 1077 C GLY A 75 26.925 -4.693 9.381 1.00 0.00 C ATOM 1078 O GLY A 75 28.119 -4.735 9.087 1.00 0.00 O ATOM 0 H GLY A 75 26.117 -4.561 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 26.558 -2.602 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.130 -3.501 9.474 1.00 0.00 H new TER 1082 GLY A 75