USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 603 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 52 SER OG : rot -19:sc= 0.755! USER MOD Set 1.2: A 55 SER OG : rot 34:sc= 0.657 USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= -0.136 USER MOD Set 2.2: A 70 THR OG1 : rot 6:sc= 0.907 USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 38 THR OG1 : rot 66:sc= 0.233 USER MOD Set 4.1: A 16 LYS NZ :NH3+ 156:sc= 0.529 (180deg=0) USER MOD Set 4.2: A 33 TYR OH : rot 172:sc= -1.45 USER MOD Set 5.1: A 10 GLN : amide:sc= -10.4! C(o=-10!,f=-14!) USER MOD Set 5.2: A 26 TYR OH : rot 102:sc= 0.15 USER MOD Set 6.1: A 6 ASN : amide:sc= -17.6! C(o=-19!,f=-21!) USER MOD Set 6.2: A 9 SER OG : rot 138:sc= -1.66! USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -21:sc= 0.0736! USER MOD Single : A 7 THR OG1 : rot -178:sc= 0.223! USER MOD Single : A 8 ASN : amide:sc= -2.45! C(o=-2.4!,f=-2.1!) USER MOD Single : A 12 SER OG : rot 35:sc= -1.86! USER MOD Single : A 14 ASN :FLIP amide:sc= -3.71! C(o=-4.7!,f=-3.7!) USER MOD Single : A 15 SER OG : rot 41:sc= -5.69! USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -0.0361 (180deg=-0.303) USER MOD Single : A 20 SER OG : rot 150:sc= -3.49 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -7:sc= 0.75 USER MOD Single : A 24 ASN : amide:sc= -0.635 K(o=-0.63,f=-4.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 62:sc= -2.53! USER MOD Single : A 35 THR OG1 : rot -36:sc= 0.601 USER MOD Single : A 40 SER OG : rot 180:sc= -0.709 USER MOD Single : A 46 THR OG1 : rot -7:sc= 0.353 USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 49 THR OG1 : rot -2:sc= 0.471 USER MOD Single : A 50 SER OG : rot 136:sc= -3.17! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 58 SER OG : rot 180:sc= -4.75! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -43:sc= 1.03 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= -1.11! (180deg=-1.28!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -8.14! C(o=-8.1!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 48.489 5.553 4.764 1.00 0.00 N ATOM 2 CA ASP A 1 47.577 6.733 4.751 1.00 0.00 C ATOM 3 C ASP A 1 46.594 6.628 3.581 1.00 0.00 C ATOM 4 O ASP A 1 46.460 7.538 2.788 1.00 0.00 O ATOM 5 CB ASP A 1 48.496 7.943 4.575 1.00 0.00 C ATOM 6 CG ASP A 1 47.705 9.227 4.833 1.00 0.00 C ATOM 7 OD1 ASP A 1 46.602 9.336 4.320 1.00 0.00 O ATOM 8 OD2 ASP A 1 48.214 10.083 5.538 1.00 0.00 O ATOM 0 H1 ASP A 1 49.151 5.635 5.562 1.00 0.00 H new ATOM 0 H2 ASP A 1 47.929 4.683 4.867 1.00 0.00 H new ATOM 0 H3 ASP A 1 49.023 5.517 3.873 1.00 0.00 H new ATOM 0 HA ASP A 1 46.981 6.805 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 1 49.338 7.877 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 1 48.910 7.955 3.567 1.00 0.00 H new ATOM 15 N GLY A 2 45.909 5.524 3.469 1.00 0.00 N ATOM 16 CA GLY A 2 44.935 5.361 2.353 1.00 0.00 C ATOM 17 C GLY A 2 45.385 4.213 1.448 1.00 0.00 C ATOM 18 O GLY A 2 46.528 3.802 1.472 1.00 0.00 O ATOM 0 H GLY A 2 45.981 4.727 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 2 43.941 5.157 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 2 44.865 6.285 1.779 1.00 0.00 H new ATOM 22 N SER A 3 44.495 3.692 0.648 1.00 0.00 N ATOM 23 CA SER A 3 44.876 2.571 -0.259 1.00 0.00 C ATOM 24 C SER A 3 45.737 3.093 -1.412 1.00 0.00 C ATOM 25 O SER A 3 45.233 3.517 -2.433 1.00 0.00 O ATOM 26 CB SER A 3 43.552 2.018 -0.783 1.00 0.00 C ATOM 27 OG SER A 3 43.405 0.670 -0.357 1.00 0.00 O ATOM 0 H SER A 3 43.523 3.993 0.583 1.00 0.00 H new ATOM 0 HA SER A 3 45.462 1.807 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 3 42.722 2.621 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 3 43.527 2.072 -1.871 1.00 0.00 H new ATOM 0 HG SER A 3 42.556 0.312 -0.690 1.00 0.00 H new ATOM 33 N CYS A 4 47.032 3.064 -1.257 1.00 0.00 N ATOM 34 CA CYS A 4 47.924 3.555 -2.344 1.00 0.00 C ATOM 35 C CYS A 4 48.055 2.487 -3.435 1.00 0.00 C ATOM 36 O CYS A 4 47.234 1.600 -3.546 1.00 0.00 O ATOM 37 CB CYS A 4 49.273 3.806 -1.669 1.00 0.00 C ATOM 38 SG CYS A 4 49.052 4.978 -0.306 1.00 0.00 S ATOM 0 H CYS A 4 47.511 2.721 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 4 47.539 4.455 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 4 49.685 2.869 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 4 49.986 4.202 -2.392 1.00 0.00 H new ATOM 43 N THR A 5 49.076 2.566 -4.245 1.00 0.00 N ATOM 44 CA THR A 5 49.242 1.553 -5.326 1.00 0.00 C ATOM 45 C THR A 5 50.699 1.488 -5.802 1.00 0.00 C ATOM 46 O THR A 5 50.995 0.866 -6.802 1.00 0.00 O ATOM 47 CB THR A 5 48.339 2.041 -6.460 1.00 0.00 C ATOM 48 OG1 THR A 5 47.008 2.177 -5.980 1.00 0.00 O ATOM 49 CG2 THR A 5 48.369 1.037 -7.613 1.00 0.00 C ATOM 0 H THR A 5 49.799 3.284 -4.205 1.00 0.00 H new ATOM 0 HA THR A 5 48.982 0.551 -4.984 1.00 0.00 H new ATOM 0 HB THR A 5 48.697 3.007 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 5 46.893 1.629 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 5 47.724 1.389 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 5 49.390 0.937 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 5 48.014 0.068 -7.261 1.00 0.00 H new ATOM 57 N ASN A 6 51.610 2.120 -5.104 1.00 0.00 N ATOM 58 CA ASN A 6 53.036 2.081 -5.542 1.00 0.00 C ATOM 59 C ASN A 6 53.106 2.259 -7.066 1.00 0.00 C ATOM 60 O ASN A 6 53.872 1.608 -7.746 1.00 0.00 O ATOM 61 CB ASN A 6 53.536 0.696 -5.103 1.00 0.00 C ATOM 62 CG ASN A 6 54.868 0.374 -5.776 1.00 0.00 C ATOM 63 OD1 ASN A 6 55.906 0.808 -5.326 1.00 0.00 O ATOM 64 ND2 ASN A 6 54.882 -0.386 -6.836 1.00 0.00 N ATOM 0 H ASN A 6 51.428 2.657 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 6 53.647 2.874 -5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 6 53.653 0.671 -4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.798 -0.063 -5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 6 55.767 -0.616 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 6 54.007 -0.751 -7.214 1.00 0.00 H new ATOM 71 N THR A 7 52.291 3.141 -7.600 1.00 0.00 N ATOM 72 CA THR A 7 52.269 3.391 -9.081 1.00 0.00 C ATOM 73 C THR A 7 51.442 2.319 -9.802 1.00 0.00 C ATOM 74 O THR A 7 50.911 2.555 -10.869 1.00 0.00 O ATOM 75 CB THR A 7 53.730 3.347 -9.546 1.00 0.00 C ATOM 76 OG1 THR A 7 54.561 3.909 -8.541 1.00 0.00 O ATOM 77 CG2 THR A 7 53.886 4.140 -10.845 1.00 0.00 C ATOM 0 H THR A 7 51.631 3.706 -7.066 1.00 0.00 H new ATOM 0 HA THR A 7 51.809 4.352 -9.310 1.00 0.00 H new ATOM 0 HB THR A 7 54.021 2.312 -9.724 1.00 0.00 H new ATOM 0 HG1 THR A 7 55.492 3.905 -8.847 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.926 4.105 -11.170 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.250 3.705 -11.616 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.593 5.176 -10.676 1.00 0.00 H new ATOM 85 N ASN A 8 51.323 1.143 -9.238 1.00 0.00 N ATOM 86 CA ASN A 8 50.527 0.070 -9.908 1.00 0.00 C ATOM 87 C ASN A 8 50.792 -1.285 -9.248 1.00 0.00 C ATOM 88 O ASN A 8 51.345 -2.180 -9.857 1.00 0.00 O ATOM 89 CB ASN A 8 51.021 0.047 -11.357 1.00 0.00 C ATOM 90 CG ASN A 8 49.911 0.535 -12.287 1.00 0.00 C ATOM 91 OD1 ASN A 8 48.870 -0.083 -12.387 1.00 0.00 O ATOM 92 ND2 ASN A 8 50.090 1.626 -12.980 1.00 0.00 N ATOM 0 H ASN A 8 51.741 0.880 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 8 49.456 0.260 -9.838 1.00 0.00 H new ATOM 0 HB2 ASN A 8 51.901 0.681 -11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 8 51.322 -0.964 -11.633 1.00 0.00 H new ATOM 0 HD21 ASN A 8 49.356 1.959 -13.605 1.00 0.00 H new ATOM 0 HD22 ASN A 8 50.964 2.146 -12.897 1.00 0.00 H new ATOM 99 N SER A 9 50.409 -1.452 -8.012 1.00 0.00 N ATOM 100 CA SER A 9 50.655 -2.762 -7.347 1.00 0.00 C ATOM 101 C SER A 9 49.739 -2.944 -6.125 1.00 0.00 C ATOM 102 O SER A 9 48.530 -2.937 -6.249 1.00 0.00 O ATOM 103 CB SER A 9 52.126 -2.723 -6.947 1.00 0.00 C ATOM 104 OG SER A 9 52.269 -2.037 -5.711 1.00 0.00 O ATOM 0 H SER A 9 49.942 -0.748 -7.440 1.00 0.00 H new ATOM 0 HA SER A 9 50.436 -3.606 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 9 52.515 -3.737 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 9 52.710 -2.224 -7.720 1.00 0.00 H new ATOM 0 HG SER A 9 52.908 -2.516 -5.143 1.00 0.00 H new ATOM 110 N GLN A 10 50.292 -3.134 -4.953 1.00 0.00 N ATOM 111 CA GLN A 10 49.426 -3.344 -3.755 1.00 0.00 C ATOM 112 C GLN A 10 49.723 -2.301 -2.674 1.00 0.00 C ATOM 113 O GLN A 10 48.836 -1.620 -2.200 1.00 0.00 O ATOM 114 CB GLN A 10 49.768 -4.751 -3.230 1.00 0.00 C ATOM 115 CG GLN A 10 50.355 -5.623 -4.351 1.00 0.00 C ATOM 116 CD GLN A 10 49.933 -7.080 -4.147 1.00 0.00 C ATOM 117 OE1 GLN A 10 49.039 -7.365 -3.376 1.00 0.00 O ATOM 118 NE2 GLN A 10 50.543 -8.020 -4.815 1.00 0.00 N ATOM 0 H GLN A 10 51.296 -3.153 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 10 48.372 -3.247 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.482 -4.675 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 10 48.871 -5.222 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 10 50.009 -5.267 -5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 10 51.442 -5.546 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.294 -7.780 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 10 50.269 -8.995 -4.690 1.00 0.00 H new ATOM 127 N LEU A 11 50.957 -2.184 -2.264 1.00 0.00 N ATOM 128 CA LEU A 11 51.290 -1.199 -1.194 1.00 0.00 C ATOM 129 C LEU A 11 50.296 -1.358 -0.045 1.00 0.00 C ATOM 130 O LEU A 11 49.318 -0.644 0.053 1.00 0.00 O ATOM 131 CB LEU A 11 51.161 0.179 -1.852 1.00 0.00 C ATOM 132 CG LEU A 11 51.831 1.252 -0.981 1.00 0.00 C ATOM 133 CD1 LEU A 11 53.147 0.723 -0.406 1.00 0.00 C ATOM 134 CD2 LEU A 11 52.124 2.486 -1.835 1.00 0.00 C ATOM 0 H LEU A 11 51.745 -2.724 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 11 52.290 -1.340 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.623 0.162 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 11 50.109 0.423 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 11 51.159 1.511 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.611 1.494 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.949 -0.158 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.819 0.456 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 11 52.600 3.250 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 11 52.790 2.212 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 11 51.191 2.877 -2.242 1.00 0.00 H new ATOM 146 N SER A 12 50.541 -2.307 0.816 1.00 0.00 N ATOM 147 CA SER A 12 49.617 -2.549 1.961 1.00 0.00 C ATOM 148 C SER A 12 49.115 -1.228 2.537 1.00 0.00 C ATOM 149 O SER A 12 49.865 -0.288 2.709 1.00 0.00 O ATOM 150 CB SER A 12 50.462 -3.292 2.995 1.00 0.00 C ATOM 151 OG SER A 12 51.569 -2.482 3.367 1.00 0.00 O ATOM 0 H SER A 12 51.348 -2.930 0.775 1.00 0.00 H new ATOM 0 HA SER A 12 48.735 -3.115 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 12 49.859 -3.529 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.812 -4.239 2.583 1.00 0.00 H new ATOM 0 HG SER A 12 51.300 -1.540 3.366 1.00 0.00 H new ATOM 157 N ALA A 13 47.851 -1.154 2.855 1.00 0.00 N ATOM 158 CA ALA A 13 47.310 0.103 3.436 1.00 0.00 C ATOM 159 C ALA A 13 48.173 0.520 4.627 1.00 0.00 C ATOM 160 O ALA A 13 48.184 1.665 5.032 1.00 0.00 O ATOM 161 CB ALA A 13 45.893 -0.246 3.890 1.00 0.00 C ATOM 0 H ALA A 13 47.174 -1.908 2.737 1.00 0.00 H new ATOM 0 HA ALA A 13 47.309 0.931 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.425 0.634 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.307 -0.576 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.935 -1.045 4.630 1.00 0.00 H new ATOM 167 N ASN A 14 48.902 -0.409 5.186 1.00 0.00 N ATOM 168 CA ASN A 14 49.772 -0.080 6.348 1.00 0.00 C ATOM 169 C ASN A 14 51.042 0.638 5.871 1.00 0.00 C ATOM 170 O ASN A 14 51.829 1.114 6.666 1.00 0.00 O ATOM 171 CB ASN A 14 50.121 -1.435 6.967 1.00 0.00 C ATOM 172 CG ASN A 14 50.835 -1.222 8.302 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.908 -2.208 9.152 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 51.331 -0.147 8.574 1.00 0.00 N flip ATOM 0 H ASN A 14 48.931 -1.383 4.886 1.00 0.00 H new ATOM 0 HA ASN A 14 49.283 0.583 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.215 -2.021 7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.759 -2.002 6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.274 0.624 7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.805 -0.015 9.468 1.00 0.00 H new ATOM 181 N SER A 15 51.246 0.724 4.581 1.00 0.00 N ATOM 182 CA SER A 15 52.462 1.417 4.064 1.00 0.00 C ATOM 183 C SER A 15 52.197 2.925 3.953 1.00 0.00 C ATOM 184 O SER A 15 51.262 3.441 4.534 1.00 0.00 O ATOM 185 CB SER A 15 52.718 0.803 2.686 1.00 0.00 C ATOM 186 OG SER A 15 53.890 1.382 2.124 1.00 0.00 O ATOM 0 H SER A 15 50.625 0.345 3.866 1.00 0.00 H new ATOM 0 HA SER A 15 53.323 1.295 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.838 -0.277 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.863 0.977 2.033 1.00 0.00 H new ATOM 0 HG SER A 15 54.573 1.478 2.820 1.00 0.00 H new ATOM 192 N LYS A 16 53.007 3.636 3.215 1.00 0.00 N ATOM 193 CA LYS A 16 52.791 5.108 3.077 1.00 0.00 C ATOM 194 C LYS A 16 53.178 5.569 1.668 1.00 0.00 C ATOM 195 O LYS A 16 54.221 5.217 1.154 1.00 0.00 O ATOM 196 CB LYS A 16 53.709 5.747 4.120 1.00 0.00 C ATOM 197 CG LYS A 16 53.028 6.986 4.710 1.00 0.00 C ATOM 198 CD LYS A 16 54.068 8.085 4.949 1.00 0.00 C ATOM 199 CE LYS A 16 53.417 9.454 4.732 1.00 0.00 C ATOM 200 NZ LYS A 16 53.943 10.311 5.830 1.00 0.00 N ATOM 0 H LYS A 16 53.807 3.264 2.703 1.00 0.00 H new ATOM 0 HA LYS A 16 51.748 5.387 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.933 5.031 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.659 6.024 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.255 7.346 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.535 6.729 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.463 8.014 5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.911 7.958 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 16 53.674 9.863 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.330 9.385 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.892 11.310 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.373 10.166 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.932 10.057 6.025 1.00 0.00 H new ATOM 214 N CYS A 17 52.345 6.356 1.043 1.00 0.00 N ATOM 215 CA CYS A 17 52.665 6.842 -0.330 1.00 0.00 C ATOM 216 C CYS A 17 52.435 8.353 -0.422 1.00 0.00 C ATOM 217 O CYS A 17 51.420 8.862 0.009 1.00 0.00 O ATOM 218 CB CYS A 17 51.699 6.094 -1.250 1.00 0.00 C ATOM 219 SG CYS A 17 50.006 6.647 -0.925 1.00 0.00 S ATOM 0 H CYS A 17 51.457 6.683 1.423 1.00 0.00 H new ATOM 0 HA CYS A 17 53.706 6.663 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 17 51.959 6.276 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.780 5.020 -1.084 1.00 0.00 H new ATOM 224 N GLU A 18 53.369 9.075 -0.978 1.00 0.00 N ATOM 225 CA GLU A 18 53.198 10.551 -1.092 1.00 0.00 C ATOM 226 C GLU A 18 54.134 11.111 -2.166 1.00 0.00 C ATOM 227 O GLU A 18 53.747 11.298 -3.303 1.00 0.00 O ATOM 228 CB GLU A 18 53.573 11.101 0.285 1.00 0.00 C ATOM 229 CG GLU A 18 52.300 11.418 1.073 1.00 0.00 C ATOM 230 CD GLU A 18 52.516 12.680 1.911 1.00 0.00 C ATOM 231 OE1 GLU A 18 53.499 13.362 1.676 1.00 0.00 O ATOM 232 OE2 GLU A 18 51.692 12.943 2.772 1.00 0.00 O ATOM 0 H GLU A 18 54.242 8.708 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 18 52.184 10.828 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.177 10.373 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.179 12.000 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 18 51.463 11.562 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.042 10.579 1.720 1.00 0.00 H new ATOM 239 N LYS A 19 55.361 11.386 -1.815 1.00 0.00 N ATOM 240 CA LYS A 19 56.319 11.940 -2.816 1.00 0.00 C ATOM 241 C LYS A 19 57.400 10.906 -3.152 1.00 0.00 C ATOM 242 O LYS A 19 58.561 11.236 -3.301 1.00 0.00 O ATOM 243 CB LYS A 19 56.940 13.157 -2.131 1.00 0.00 C ATOM 244 CG LYS A 19 56.425 14.438 -2.791 1.00 0.00 C ATOM 245 CD LYS A 19 56.986 14.546 -4.212 1.00 0.00 C ATOM 246 CE LYS A 19 58.134 15.563 -4.239 1.00 0.00 C ATOM 247 NZ LYS A 19 57.480 16.902 -4.131 1.00 0.00 N ATOM 0 H LYS A 19 55.742 11.251 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 19 55.829 12.200 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.689 13.157 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 19 58.027 13.111 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.335 14.432 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.724 15.307 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 57.342 13.572 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 19 56.199 14.853 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.826 15.396 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 19 58.711 15.480 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 58.048 17.608 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 56.528 16.858 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 57.408 17.174 -3.130 1.00 0.00 H new ATOM 261 N SER A 20 57.033 9.659 -3.271 1.00 0.00 N ATOM 262 CA SER A 20 58.048 8.615 -3.594 1.00 0.00 C ATOM 263 C SER A 20 57.911 8.168 -5.052 1.00 0.00 C ATOM 264 O SER A 20 56.848 8.234 -5.636 1.00 0.00 O ATOM 265 CB SER A 20 57.742 7.454 -2.649 1.00 0.00 C ATOM 266 OG SER A 20 58.092 7.825 -1.323 1.00 0.00 O ATOM 0 H SER A 20 56.078 9.318 -3.159 1.00 0.00 H new ATOM 0 HA SER A 20 59.066 8.984 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.684 7.197 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.300 6.568 -2.950 1.00 0.00 H new ATOM 0 HG SER A 20 57.507 7.361 -0.688 1.00 0.00 H new ATOM 272 N THR A 21 58.980 7.703 -5.638 1.00 0.00 N ATOM 273 CA THR A 21 58.916 7.238 -7.054 1.00 0.00 C ATOM 274 C THR A 21 59.102 5.721 -7.093 1.00 0.00 C ATOM 275 O THR A 21 60.196 5.225 -7.272 1.00 0.00 O ATOM 276 CB THR A 21 60.077 7.942 -7.760 1.00 0.00 C ATOM 277 OG1 THR A 21 59.849 9.345 -7.757 1.00 0.00 O ATOM 278 CG2 THR A 21 60.182 7.441 -9.203 1.00 0.00 C ATOM 0 H THR A 21 59.897 7.625 -5.197 1.00 0.00 H new ATOM 0 HA THR A 21 57.963 7.466 -7.531 1.00 0.00 H new ATOM 0 HB THR A 21 61.007 7.723 -7.236 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.592 9.798 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 61.009 7.944 -9.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.358 6.365 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.253 7.657 -9.731 1.00 0.00 H new ATOM 286 N LEU A 22 58.046 4.977 -6.906 1.00 0.00 N ATOM 287 CA LEU A 22 58.177 3.490 -6.909 1.00 0.00 C ATOM 288 C LEU A 22 57.725 2.900 -8.246 1.00 0.00 C ATOM 289 O LEU A 22 57.247 3.595 -9.120 1.00 0.00 O ATOM 290 CB LEU A 22 57.265 2.995 -5.783 1.00 0.00 C ATOM 291 CG LEU A 22 57.342 3.939 -4.580 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.615 3.304 -3.393 1.00 0.00 C ATOM 293 CD2 LEU A 22 58.806 4.183 -4.206 1.00 0.00 C ATOM 0 H LEU A 22 57.102 5.331 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 22 59.214 3.186 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.237 2.933 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 22 57.559 1.989 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 22 56.873 4.889 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 22 56.667 3.973 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.571 3.132 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.088 2.354 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 22 58.856 4.855 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 22 59.279 3.235 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 22 59.327 4.633 -5.051 1.00 0.00 H new ATOM 305 N THR A 23 57.877 1.614 -8.401 1.00 0.00 N ATOM 306 CA THR A 23 57.465 0.955 -9.670 1.00 0.00 C ATOM 307 C THR A 23 57.204 -0.533 -9.419 1.00 0.00 C ATOM 308 O THR A 23 58.116 -1.309 -9.213 1.00 0.00 O ATOM 309 CB THR A 23 58.651 1.153 -10.616 1.00 0.00 C ATOM 310 OG1 THR A 23 58.753 2.528 -10.961 1.00 0.00 O ATOM 311 CG2 THR A 23 58.442 0.323 -11.884 1.00 0.00 C ATOM 0 H THR A 23 58.271 0.988 -7.698 1.00 0.00 H new ATOM 0 HA THR A 23 56.547 1.371 -10.085 1.00 0.00 H new ATOM 0 HB THR A 23 59.567 0.831 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.977 3.012 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.288 0.466 -12.556 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.363 -0.731 -11.620 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.526 0.642 -12.381 1.00 0.00 H new ATOM 319 N ASN A 24 55.961 -0.934 -9.425 1.00 0.00 N ATOM 320 CA ASN A 24 55.632 -2.368 -9.180 1.00 0.00 C ATOM 321 C ASN A 24 56.199 -2.824 -7.831 1.00 0.00 C ATOM 322 O ASN A 24 57.370 -3.112 -7.705 1.00 0.00 O ATOM 323 CB ASN A 24 56.293 -3.134 -10.327 1.00 0.00 C ATOM 324 CG ASN A 24 55.597 -2.775 -11.641 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.085 -1.683 -11.791 1.00 0.00 O ATOM 326 ND2 ASN A 24 55.555 -3.653 -12.604 1.00 0.00 N ATOM 0 H ASN A 24 55.157 -0.328 -9.590 1.00 0.00 H new ATOM 0 HA ASN A 24 54.556 -2.540 -9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.353 -2.885 -10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 24 56.227 -4.207 -10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.092 -3.423 -13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.985 -4.569 -12.478 1.00 0.00 H new ATOM 333 N CYS A 25 55.375 -2.890 -6.825 1.00 0.00 N ATOM 334 CA CYS A 25 55.860 -3.329 -5.486 1.00 0.00 C ATOM 335 C CYS A 25 54.692 -3.846 -4.646 1.00 0.00 C ATOM 336 O CYS A 25 53.578 -3.955 -5.114 1.00 0.00 O ATOM 337 CB CYS A 25 56.463 -2.076 -4.846 1.00 0.00 C ATOM 338 SG CYS A 25 58.155 -2.446 -4.308 1.00 0.00 S ATOM 0 H CYS A 25 54.383 -2.658 -6.871 1.00 0.00 H new ATOM 0 HA CYS A 25 56.586 -4.138 -5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.466 -1.253 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.858 -1.759 -3.996 1.00 0.00 H new ATOM 343 N TYR A 26 54.932 -4.149 -3.405 1.00 0.00 N ATOM 344 CA TYR A 26 53.834 -4.636 -2.531 1.00 0.00 C ATOM 345 C TYR A 26 53.935 -3.900 -1.204 1.00 0.00 C ATOM 346 O TYR A 26 52.977 -3.346 -0.702 1.00 0.00 O ATOM 347 CB TYR A 26 54.097 -6.130 -2.351 1.00 0.00 C ATOM 348 CG TYR A 26 52.811 -6.831 -1.984 1.00 0.00 C ATOM 349 CD1 TYR A 26 51.958 -6.275 -1.022 1.00 0.00 C ATOM 350 CD2 TYR A 26 52.471 -8.037 -2.608 1.00 0.00 C ATOM 351 CE1 TYR A 26 50.767 -6.928 -0.682 1.00 0.00 C ATOM 352 CE2 TYR A 26 51.279 -8.691 -2.267 1.00 0.00 C ATOM 353 CZ TYR A 26 50.428 -8.136 -1.304 1.00 0.00 C ATOM 354 OH TYR A 26 49.253 -8.780 -0.967 1.00 0.00 O ATOM 0 H TYR A 26 55.845 -4.080 -2.956 1.00 0.00 H new ATOM 0 HA TYR A 26 52.838 -4.467 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.503 -6.551 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 26 54.843 -6.287 -1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.219 -5.343 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 26 53.127 -8.464 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.110 -6.500 0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 26 51.017 -9.622 -2.747 1.00 0.00 H new ATOM 0 HH TYR A 26 48.580 -8.617 -1.661 1.00 0.00 H new ATOM 364 N VAL A 27 55.115 -3.868 -0.666 1.00 0.00 N ATOM 365 CA VAL A 27 55.355 -3.147 0.611 1.00 0.00 C ATOM 366 C VAL A 27 54.417 -3.636 1.717 1.00 0.00 C ATOM 367 O VAL A 27 53.269 -3.951 1.493 1.00 0.00 O ATOM 368 CB VAL A 27 55.077 -1.682 0.286 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.551 -0.814 1.449 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.831 -1.290 -0.991 1.00 0.00 C ATOM 0 H VAL A 27 55.940 -4.319 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 27 56.367 -3.311 0.981 1.00 0.00 H new ATOM 0 HB VAL A 27 54.008 -1.535 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.356 0.234 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.016 -1.096 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.621 -0.959 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.633 -0.244 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.901 -1.432 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.495 -1.916 -1.818 1.00 0.00 H new ATOM 380 N ASP A 28 54.913 -3.684 2.917 1.00 0.00 N ATOM 381 CA ASP A 28 54.076 -4.131 4.067 1.00 0.00 C ATOM 382 C ASP A 28 54.581 -3.479 5.358 1.00 0.00 C ATOM 383 O ASP A 28 55.729 -3.627 5.730 1.00 0.00 O ATOM 384 CB ASP A 28 54.252 -5.649 4.126 1.00 0.00 C ATOM 385 CG ASP A 28 52.882 -6.325 4.040 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.417 -6.535 2.931 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.322 -6.619 5.083 1.00 0.00 O ATOM 0 H ASP A 28 55.872 -3.431 3.156 1.00 0.00 H new ATOM 0 HA ASP A 28 53.028 -3.853 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.887 -5.984 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.752 -5.932 5.052 1.00 0.00 H new ATOM 392 N LYS A 29 53.740 -2.751 6.041 1.00 0.00 N ATOM 393 CA LYS A 29 54.185 -2.087 7.301 1.00 0.00 C ATOM 394 C LYS A 29 55.419 -1.223 7.029 1.00 0.00 C ATOM 395 O LYS A 29 56.338 -1.168 7.821 1.00 0.00 O ATOM 396 CB LYS A 29 54.533 -3.233 8.251 1.00 0.00 C ATOM 397 CG LYS A 29 53.273 -4.045 8.560 1.00 0.00 C ATOM 398 CD LYS A 29 53.379 -5.425 7.906 1.00 0.00 C ATOM 399 CE LYS A 29 52.382 -6.380 8.567 1.00 0.00 C ATOM 400 NZ LYS A 29 53.188 -7.576 8.941 1.00 0.00 N ATOM 0 H LYS A 29 52.767 -2.587 5.783 1.00 0.00 H new ATOM 0 HA LYS A 29 53.420 -1.432 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 29 55.290 -3.875 7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.958 -2.838 9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 29 53.151 -4.151 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.391 -3.522 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.174 -5.350 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 29 54.393 -5.812 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 29 51.920 -5.925 9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 29 51.576 -6.645 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.574 -8.278 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.610 -7.992 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.944 -7.294 9.598 1.00 0.00 H new ATOM 414 N SER A 30 55.449 -0.553 5.909 1.00 0.00 N ATOM 415 CA SER A 30 56.627 0.302 5.579 1.00 0.00 C ATOM 416 C SER A 30 56.187 1.746 5.322 1.00 0.00 C ATOM 417 O SER A 30 55.098 2.148 5.680 1.00 0.00 O ATOM 418 CB SER A 30 57.209 -0.310 4.307 1.00 0.00 C ATOM 419 OG SER A 30 57.582 -1.658 4.561 1.00 0.00 O ATOM 0 H SER A 30 54.709 -0.560 5.207 1.00 0.00 H new ATOM 0 HA SER A 30 57.352 0.334 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.475 -0.269 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.076 0.263 3.978 1.00 0.00 H new ATOM 0 HG SER A 30 56.789 -2.175 4.814 1.00 0.00 H new ATOM 425 N GLU A 31 57.030 2.528 4.701 1.00 0.00 N ATOM 426 CA GLU A 31 56.662 3.951 4.420 1.00 0.00 C ATOM 427 C GLU A 31 57.276 4.410 3.092 1.00 0.00 C ATOM 428 O GLU A 31 56.586 4.580 2.107 1.00 0.00 O ATOM 429 CB GLU A 31 57.247 4.753 5.582 1.00 0.00 C ATOM 430 CG GLU A 31 56.155 5.041 6.612 1.00 0.00 C ATOM 431 CD GLU A 31 56.765 5.026 8.014 1.00 0.00 C ATOM 432 OE1 GLU A 31 56.966 3.945 8.541 1.00 0.00 O ATOM 433 OE2 GLU A 31 57.024 6.098 8.535 1.00 0.00 O ATOM 0 H GLU A 31 57.955 2.246 4.376 1.00 0.00 H new ATOM 0 HA GLU A 31 55.584 4.084 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.061 4.197 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.669 5.688 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.698 6.010 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.364 4.294 6.539 1.00 0.00 H new ATOM 440 N VAL A 32 58.569 4.605 3.065 1.00 0.00 N ATOM 441 CA VAL A 32 59.251 5.047 1.806 1.00 0.00 C ATOM 442 C VAL A 32 58.947 6.518 1.503 1.00 0.00 C ATOM 443 O VAL A 32 57.844 6.991 1.697 1.00 0.00 O ATOM 444 CB VAL A 32 58.699 4.145 0.698 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.658 4.156 -0.491 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.570 2.712 1.221 1.00 0.00 C ATOM 0 H VAL A 32 59.188 4.477 3.865 1.00 0.00 H new ATOM 0 HA VAL A 32 60.335 4.966 1.893 1.00 0.00 H new ATOM 0 HB VAL A 32 57.721 4.513 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.266 3.514 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.759 5.174 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.634 3.788 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.177 2.071 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.550 2.348 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.891 2.696 2.074 1.00 0.00 H new ATOM 456 N TYR A 33 59.927 7.243 1.022 1.00 0.00 N ATOM 457 CA TYR A 33 59.715 8.684 0.696 1.00 0.00 C ATOM 458 C TYR A 33 60.553 9.078 -0.526 1.00 0.00 C ATOM 459 O TYR A 33 61.066 10.176 -0.607 1.00 0.00 O ATOM 460 CB TYR A 33 60.199 9.454 1.926 1.00 0.00 C ATOM 461 CG TYR A 33 59.135 9.438 2.996 1.00 0.00 C ATOM 462 CD1 TYR A 33 58.031 10.292 2.897 1.00 0.00 C ATOM 463 CD2 TYR A 33 59.256 8.573 4.090 1.00 0.00 C ATOM 464 CE1 TYR A 33 57.046 10.280 3.892 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.272 8.562 5.085 1.00 0.00 C ATOM 466 CZ TYR A 33 57.167 9.416 4.986 1.00 0.00 C ATOM 467 OH TYR A 33 56.197 9.404 5.969 1.00 0.00 O ATOM 0 H TYR A 33 60.869 6.895 0.841 1.00 0.00 H new ATOM 0 HA TYR A 33 58.672 8.897 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.117 9.007 2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.435 10.482 1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.939 10.960 2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 33 60.109 7.914 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.193 10.938 3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 33 58.365 7.895 5.929 1.00 0.00 H new ATOM 0 HH TYR A 33 56.366 8.662 6.586 1.00 0.00 H new ATOM 477 N GLY A 34 60.702 8.194 -1.476 1.00 0.00 N ATOM 478 CA GLY A 34 61.515 8.536 -2.682 1.00 0.00 C ATOM 479 C GLY A 34 62.253 7.296 -3.194 1.00 0.00 C ATOM 480 O GLY A 34 62.862 7.318 -4.245 1.00 0.00 O ATOM 0 H GLY A 34 60.300 7.257 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.868 8.932 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.232 9.319 -2.435 1.00 0.00 H new ATOM 484 N THR A 35 62.209 6.214 -2.466 1.00 0.00 N ATOM 485 CA THR A 35 62.914 4.984 -2.921 1.00 0.00 C ATOM 486 C THR A 35 62.397 4.558 -4.304 1.00 0.00 C ATOM 487 O THR A 35 61.389 5.043 -4.780 1.00 0.00 O ATOM 488 CB THR A 35 62.604 3.935 -1.833 1.00 0.00 C ATOM 489 OG1 THR A 35 63.805 3.614 -1.145 1.00 0.00 O ATOM 490 CG2 THR A 35 62.017 2.654 -2.441 1.00 0.00 C ATOM 0 H THR A 35 61.716 6.129 -1.577 1.00 0.00 H new ATOM 0 HA THR A 35 63.989 5.123 -3.039 1.00 0.00 H new ATOM 0 HB THR A 35 61.868 4.357 -1.149 1.00 0.00 H new ATOM 0 HG1 THR A 35 64.555 3.620 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.810 1.936 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.092 2.891 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 35 62.732 2.223 -3.142 1.00 0.00 H new ATOM 498 N THR A 36 63.086 3.655 -4.948 1.00 0.00 N ATOM 499 CA THR A 36 62.644 3.194 -6.295 1.00 0.00 C ATOM 500 C THR A 36 62.097 1.764 -6.215 1.00 0.00 C ATOM 501 O THR A 36 62.621 0.853 -6.823 1.00 0.00 O ATOM 502 CB THR A 36 63.906 3.236 -7.159 1.00 0.00 C ATOM 503 OG1 THR A 36 63.575 2.890 -8.497 1.00 0.00 O ATOM 504 CG2 THR A 36 64.934 2.242 -6.612 1.00 0.00 C ATOM 0 H THR A 36 63.938 3.216 -4.598 1.00 0.00 H new ATOM 0 HA THR A 36 61.847 3.816 -6.703 1.00 0.00 H new ATOM 0 HB THR A 36 64.328 4.241 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 36 64.383 2.918 -9.051 1.00 0.00 H new ATOM 0 HG21 THR A 36 65.833 2.272 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 36 65.188 2.509 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 36 64.514 1.236 -6.632 1.00 0.00 H new ATOM 512 N CYS A 37 61.043 1.565 -5.469 1.00 0.00 N ATOM 513 CA CYS A 37 60.457 0.198 -5.348 1.00 0.00 C ATOM 514 C CYS A 37 60.319 -0.442 -6.731 1.00 0.00 C ATOM 515 O CYS A 37 59.328 -0.265 -7.409 1.00 0.00 O ATOM 516 CB CYS A 37 59.076 0.418 -4.728 1.00 0.00 C ATOM 517 SG CYS A 37 58.799 -0.765 -3.385 1.00 0.00 S ATOM 0 H CYS A 37 60.562 2.291 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 37 61.079 -0.466 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 37 58.998 1.436 -4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.305 0.302 -5.489 1.00 0.00 H new ATOM 522 N THR A 38 61.301 -1.187 -7.154 1.00 0.00 N ATOM 523 CA THR A 38 61.215 -1.837 -8.491 1.00 0.00 C ATOM 524 C THR A 38 60.826 -3.309 -8.326 1.00 0.00 C ATOM 525 O THR A 38 61.643 -4.143 -7.989 1.00 0.00 O ATOM 526 CB THR A 38 62.620 -1.707 -9.086 1.00 0.00 C ATOM 527 OG1 THR A 38 62.791 -0.394 -9.604 1.00 0.00 O ATOM 528 CG2 THR A 38 62.803 -2.726 -10.211 1.00 0.00 C ATOM 0 H THR A 38 62.158 -1.374 -6.633 1.00 0.00 H new ATOM 0 HA THR A 38 60.463 -1.379 -9.134 1.00 0.00 H new ATOM 0 HB THR A 38 63.360 -1.895 -8.308 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.773 0.253 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 38 63.804 -2.629 -10.631 1.00 0.00 H new ATOM 0 HG22 THR A 38 62.672 -3.733 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.064 -2.544 -10.991 1.00 0.00 H new ATOM 536 N GLY A 39 59.583 -3.630 -8.556 1.00 0.00 N ATOM 537 CA GLY A 39 59.142 -5.045 -8.404 1.00 0.00 C ATOM 538 C GLY A 39 59.729 -5.621 -7.118 1.00 0.00 C ATOM 539 O GLY A 39 60.353 -6.664 -7.118 1.00 0.00 O ATOM 0 H GLY A 39 58.855 -2.975 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.054 -5.098 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 59.468 -5.634 -9.262 1.00 0.00 H new ATOM 543 N SER A 40 59.537 -4.948 -6.017 1.00 0.00 N ATOM 544 CA SER A 40 60.085 -5.451 -4.725 1.00 0.00 C ATOM 545 C SER A 40 58.981 -5.496 -3.669 1.00 0.00 C ATOM 546 O SER A 40 57.844 -5.151 -3.928 1.00 0.00 O ATOM 547 CB SER A 40 61.160 -4.440 -4.330 1.00 0.00 C ATOM 548 OG SER A 40 61.934 -4.107 -5.474 1.00 0.00 O ATOM 0 H SER A 40 59.023 -4.069 -5.956 1.00 0.00 H new ATOM 0 HA SER A 40 60.487 -6.460 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 40 60.698 -3.544 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 40 61.800 -4.857 -3.553 1.00 0.00 H new ATOM 0 HG SER A 40 62.624 -3.457 -5.224 1.00 0.00 H new ATOM 554 N ARG A 41 59.306 -5.919 -2.480 1.00 0.00 N ATOM 555 CA ARG A 41 58.274 -5.991 -1.409 1.00 0.00 C ATOM 556 C ARG A 41 58.913 -5.764 -0.037 1.00 0.00 C ATOM 557 O ARG A 41 60.047 -6.129 0.201 1.00 0.00 O ATOM 558 CB ARG A 41 57.712 -7.407 -1.503 1.00 0.00 C ATOM 559 CG ARG A 41 57.035 -7.597 -2.862 1.00 0.00 C ATOM 560 CD ARG A 41 56.299 -8.938 -2.883 1.00 0.00 C ATOM 561 NE ARG A 41 56.258 -9.326 -4.319 1.00 0.00 N ATOM 562 CZ ARG A 41 56.478 -10.563 -4.666 1.00 0.00 C ATOM 563 NH1 ARG A 41 55.569 -11.474 -4.444 1.00 0.00 N ATOM 564 NH2 ARG A 41 57.607 -10.892 -5.231 1.00 0.00 N ATOM 0 H ARG A 41 60.241 -6.218 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 41 57.502 -5.231 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 41 58.512 -8.137 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 41 56.995 -7.579 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.335 -6.783 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.779 -7.566 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.821 -9.685 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.295 -8.845 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 41 56.058 -8.624 -5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 41 54.688 -11.217 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 41 55.740 -12.442 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 41 58.318 -10.181 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 41 57.778 -11.860 -5.502 1.00 0.00 H new ATOM 578 N PHE A 42 58.185 -5.173 0.871 1.00 0.00 N ATOM 579 CA PHE A 42 58.740 -4.930 2.233 1.00 0.00 C ATOM 580 C PHE A 42 57.925 -5.713 3.267 1.00 0.00 C ATOM 581 O PHE A 42 56.938 -6.343 2.941 1.00 0.00 O ATOM 582 CB PHE A 42 58.600 -3.425 2.465 1.00 0.00 C ATOM 583 CG PHE A 42 59.333 -2.669 1.383 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.401 -3.268 0.701 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.946 -1.363 1.063 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.078 -2.557 -0.300 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.622 -0.654 0.065 1.00 0.00 C ATOM 588 CZ PHE A 42 60.688 -1.250 -0.617 1.00 0.00 C ATOM 0 H PHE A 42 57.229 -4.848 0.728 1.00 0.00 H new ATOM 0 HA PHE A 42 59.777 -5.253 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.547 -3.145 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.002 -3.160 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.702 -4.276 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 42 58.123 -0.901 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.901 -3.018 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.321 0.354 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.210 -0.702 -1.388 1.00 0.00 H new ATOM 598 N ASP A 43 58.324 -5.682 4.509 1.00 0.00 N ATOM 599 CA ASP A 43 57.561 -6.428 5.551 1.00 0.00 C ATOM 600 C ASP A 43 57.838 -5.842 6.935 1.00 0.00 C ATOM 601 O ASP A 43 58.152 -6.552 7.871 1.00 0.00 O ATOM 602 CB ASP A 43 58.068 -7.868 5.464 1.00 0.00 C ATOM 603 CG ASP A 43 56.882 -8.833 5.525 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.841 -8.433 6.018 1.00 0.00 O ATOM 605 OD2 ASP A 43 57.035 -9.959 5.075 1.00 0.00 O ATOM 0 H ASP A 43 59.142 -5.175 4.847 1.00 0.00 H new ATOM 0 HA ASP A 43 56.484 -6.367 5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.622 -8.014 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.758 -8.072 6.283 1.00 0.00 H new ATOM 610 N GLY A 44 57.720 -4.553 7.072 1.00 0.00 N ATOM 611 CA GLY A 44 57.970 -3.920 8.395 1.00 0.00 C ATOM 612 C GLY A 44 59.203 -3.020 8.307 1.00 0.00 C ATOM 613 O GLY A 44 60.201 -3.254 8.960 1.00 0.00 O ATOM 0 H GLY A 44 57.461 -3.909 6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 44 57.102 -3.336 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 44 58.121 -4.687 9.154 1.00 0.00 H new ATOM 617 N VAL A 45 59.151 -1.994 7.502 1.00 0.00 N ATOM 618 CA VAL A 45 60.335 -1.093 7.381 1.00 0.00 C ATOM 619 C VAL A 45 59.909 0.376 7.488 1.00 0.00 C ATOM 620 O VAL A 45 58.798 0.693 7.865 1.00 0.00 O ATOM 621 CB VAL A 45 60.942 -1.384 5.992 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.735 -2.850 5.616 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.273 -0.507 4.929 1.00 0.00 C ATOM 0 H VAL A 45 58.348 -1.741 6.927 1.00 0.00 H new ATOM 0 HA VAL A 45 61.057 -1.270 8.179 1.00 0.00 H new ATOM 0 HB VAL A 45 62.009 -1.164 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.169 -3.038 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.220 -3.487 6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.668 -3.072 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.709 -0.721 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.204 -0.719 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.429 0.544 5.173 1.00 0.00 H new ATOM 633 N THR A 46 60.794 1.264 7.138 1.00 0.00 N ATOM 634 CA THR A 46 60.483 2.719 7.188 1.00 0.00 C ATOM 635 C THR A 46 61.559 3.474 6.408 1.00 0.00 C ATOM 636 O THR A 46 62.231 4.341 6.930 1.00 0.00 O ATOM 637 CB THR A 46 60.526 3.088 8.672 1.00 0.00 C ATOM 638 OG1 THR A 46 59.471 2.426 9.355 1.00 0.00 O ATOM 639 CG2 THR A 46 60.368 4.602 8.829 1.00 0.00 C ATOM 0 H THR A 46 61.735 1.040 6.814 1.00 0.00 H new ATOM 0 HA THR A 46 59.516 2.968 6.750 1.00 0.00 H new ATOM 0 HB THR A 46 61.482 2.779 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.893 1.974 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.399 4.863 9.887 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.179 5.109 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.413 4.914 8.406 1.00 0.00 H new ATOM 647 N ILE A 47 61.741 3.124 5.162 1.00 0.00 N ATOM 648 CA ILE A 47 62.791 3.789 4.342 1.00 0.00 C ATOM 649 C ILE A 47 62.288 5.116 3.775 1.00 0.00 C ATOM 650 O ILE A 47 61.120 5.443 3.862 1.00 0.00 O ATOM 651 CB ILE A 47 63.082 2.795 3.215 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.175 3.357 2.301 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.808 2.557 2.400 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.678 2.249 1.373 1.00 0.00 C ATOM 0 H ILE A 47 61.205 2.404 4.677 1.00 0.00 H new ATOM 0 HA ILE A 47 63.679 4.028 4.927 1.00 0.00 H new ATOM 0 HB ILE A 47 63.420 1.852 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.783 4.188 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.998 3.749 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.016 1.849 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.031 2.152 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.468 3.500 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.456 2.646 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.085 1.432 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.851 1.879 0.767 1.00 0.00 H new ATOM 666 N THR A 48 63.171 5.880 3.196 1.00 0.00 N ATOM 667 CA THR A 48 62.768 7.189 2.617 1.00 0.00 C ATOM 668 C THR A 48 63.365 7.336 1.210 1.00 0.00 C ATOM 669 O THR A 48 63.202 6.472 0.372 1.00 0.00 O ATOM 670 CB THR A 48 63.345 8.229 3.582 1.00 0.00 C ATOM 671 OG1 THR A 48 64.740 8.012 3.727 1.00 0.00 O ATOM 672 CG2 THR A 48 62.662 8.100 4.944 1.00 0.00 C ATOM 0 H THR A 48 64.160 5.651 3.099 1.00 0.00 H new ATOM 0 HA THR A 48 61.689 7.299 2.510 1.00 0.00 H new ATOM 0 HB THR A 48 63.171 9.229 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.112 8.677 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.074 8.841 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.591 8.266 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.834 7.101 5.344 1.00 0.00 H new ATOM 680 N THR A 49 64.060 8.410 0.943 1.00 0.00 N ATOM 681 CA THR A 49 64.664 8.587 -0.411 1.00 0.00 C ATOM 682 C THR A 49 65.910 7.707 -0.546 1.00 0.00 C ATOM 683 O THR A 49 67.022 8.187 -0.502 1.00 0.00 O ATOM 684 CB THR A 49 65.053 10.064 -0.477 1.00 0.00 C ATOM 685 OG1 THR A 49 63.878 10.860 -0.541 1.00 0.00 O ATOM 686 CG2 THR A 49 65.910 10.313 -1.719 1.00 0.00 C ATOM 0 H THR A 49 64.235 9.170 1.601 1.00 0.00 H new ATOM 0 HA THR A 49 63.979 8.305 -1.211 1.00 0.00 H new ATOM 0 HB THR A 49 65.623 10.330 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.090 10.278 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.187 11.366 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.812 9.703 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.343 10.048 -2.611 1.00 0.00 H new ATOM 694 N SER A 50 65.737 6.423 -0.701 1.00 0.00 N ATOM 695 CA SER A 50 66.921 5.524 -0.824 1.00 0.00 C ATOM 696 C SER A 50 66.784 4.629 -2.056 1.00 0.00 C ATOM 697 O SER A 50 65.706 4.178 -2.385 1.00 0.00 O ATOM 698 CB SER A 50 66.894 4.682 0.450 1.00 0.00 C ATOM 699 OG SER A 50 67.422 5.445 1.526 1.00 0.00 O ATOM 0 H SER A 50 64.830 5.958 -0.748 1.00 0.00 H new ATOM 0 HA SER A 50 67.853 6.077 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.873 4.373 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.479 3.773 0.312 1.00 0.00 H new ATOM 0 HG SER A 50 66.856 5.329 2.318 1.00 0.00 H new ATOM 705 N THR A 51 67.864 4.359 -2.740 1.00 0.00 N ATOM 706 CA THR A 51 67.769 3.488 -3.946 1.00 0.00 C ATOM 707 C THR A 51 67.880 2.015 -3.544 1.00 0.00 C ATOM 708 O THR A 51 68.721 1.640 -2.757 1.00 0.00 O ATOM 709 CB THR A 51 68.953 3.896 -4.828 1.00 0.00 C ATOM 710 OG1 THR A 51 69.357 5.218 -4.501 1.00 0.00 O ATOM 711 CG2 THR A 51 68.537 3.838 -6.299 1.00 0.00 C ATOM 0 H THR A 51 68.799 4.700 -2.518 1.00 0.00 H new ATOM 0 HA THR A 51 66.818 3.605 -4.465 1.00 0.00 H new ATOM 0 HB THR A 51 69.784 3.212 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 51 70.116 5.477 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.379 4.128 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.230 2.823 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.705 4.521 -6.469 1.00 0.00 H new ATOM 719 N SER A 52 67.036 1.177 -4.081 1.00 0.00 N ATOM 720 CA SER A 52 67.098 -0.272 -3.733 1.00 0.00 C ATOM 721 C SER A 52 66.507 -1.114 -4.870 1.00 0.00 C ATOM 722 O SER A 52 65.389 -0.903 -5.296 1.00 0.00 O ATOM 723 CB SER A 52 66.262 -0.414 -2.462 1.00 0.00 C ATOM 724 OG SER A 52 64.914 -0.697 -2.812 1.00 0.00 O ATOM 0 H SER A 52 66.306 1.433 -4.746 1.00 0.00 H new ATOM 0 HA SER A 52 68.121 -0.618 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.662 -1.213 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.312 0.504 -1.876 1.00 0.00 H new ATOM 0 HG SER A 52 64.760 -0.449 -3.747 1.00 0.00 H new ATOM 730 N THR A 53 67.254 -2.064 -5.365 1.00 0.00 N ATOM 731 CA THR A 53 66.738 -2.918 -6.477 1.00 0.00 C ATOM 732 C THR A 53 66.513 -4.346 -5.979 1.00 0.00 C ATOM 733 O THR A 53 67.424 -4.995 -5.507 1.00 0.00 O ATOM 734 CB THR A 53 67.835 -2.892 -7.541 1.00 0.00 C ATOM 735 OG1 THR A 53 68.684 -1.775 -7.317 1.00 0.00 O ATOM 736 CG2 THR A 53 67.197 -2.784 -8.927 1.00 0.00 C ATOM 0 H THR A 53 68.198 -2.286 -5.049 1.00 0.00 H new ATOM 0 HA THR A 53 65.785 -2.559 -6.866 1.00 0.00 H new ATOM 0 HB THR A 53 68.422 -3.809 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.389 -1.758 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 53 67.978 -2.765 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 53 66.547 -3.642 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 53 66.611 -1.867 -8.987 1.00 0.00 H new ATOM 744 N GLY A 54 65.308 -4.839 -6.073 1.00 0.00 N ATOM 745 CA GLY A 54 65.040 -6.222 -5.591 1.00 0.00 C ATOM 746 C GLY A 54 65.712 -6.400 -4.234 1.00 0.00 C ATOM 747 O GLY A 54 66.828 -6.867 -4.143 1.00 0.00 O ATOM 0 H GLY A 54 64.503 -4.347 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.967 -6.393 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.424 -6.952 -6.303 1.00 0.00 H new ATOM 751 N SER A 55 65.047 -6.012 -3.180 1.00 0.00 N ATOM 752 CA SER A 55 65.658 -6.141 -1.826 1.00 0.00 C ATOM 753 C SER A 55 64.573 -6.271 -0.757 1.00 0.00 C ATOM 754 O SER A 55 63.711 -5.426 -0.627 1.00 0.00 O ATOM 755 CB SER A 55 66.445 -4.846 -1.625 1.00 0.00 C ATOM 756 OG SER A 55 65.560 -3.737 -1.741 1.00 0.00 O ATOM 0 H SER A 55 64.109 -5.612 -3.197 1.00 0.00 H new ATOM 0 HA SER A 55 66.289 -7.026 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.922 -4.845 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.240 -4.771 -2.367 1.00 0.00 H new ATOM 0 HG SER A 55 64.681 -3.982 -1.384 1.00 0.00 H new ATOM 762 N ARG A 56 64.615 -7.318 0.020 1.00 0.00 N ATOM 763 CA ARG A 56 63.592 -7.489 1.088 1.00 0.00 C ATOM 764 C ARG A 56 64.042 -6.750 2.347 1.00 0.00 C ATOM 765 O ARG A 56 64.857 -7.236 3.105 1.00 0.00 O ATOM 766 CB ARG A 56 63.522 -8.995 1.343 1.00 0.00 C ATOM 767 CG ARG A 56 62.735 -9.263 2.629 1.00 0.00 C ATOM 768 CD ARG A 56 62.192 -10.697 2.610 1.00 0.00 C ATOM 769 NE ARG A 56 62.643 -11.302 3.895 1.00 0.00 N ATOM 770 CZ ARG A 56 62.928 -12.575 3.951 1.00 0.00 C ATOM 771 NH1 ARG A 56 62.308 -13.419 3.171 1.00 0.00 N ATOM 772 NH2 ARG A 56 63.833 -13.006 4.785 1.00 0.00 N ATOM 0 H ARG A 56 65.312 -8.061 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 56 62.619 -7.088 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.043 -9.495 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.528 -9.407 1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 56 63.378 -9.118 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.913 -8.553 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 56 61.105 -10.706 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 56 62.578 -11.253 1.756 1.00 0.00 H new ATOM 0 HE ARG A 56 62.729 -10.722 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 56 61.600 -13.084 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 56 62.531 -14.413 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 56 64.319 -12.348 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 56 64.055 -14.001 4.828 1.00 0.00 H new ATOM 786 N ILE A 57 63.521 -5.575 2.578 1.00 0.00 N ATOM 787 CA ILE A 57 63.930 -4.808 3.788 1.00 0.00 C ATOM 788 C ILE A 57 63.138 -5.273 5.011 1.00 0.00 C ATOM 789 O ILE A 57 63.069 -4.585 6.010 1.00 0.00 O ATOM 790 CB ILE A 57 63.622 -3.346 3.463 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.465 -2.906 2.263 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.967 -2.475 4.673 1.00 0.00 C ATOM 793 CD1 ILE A 57 63.549 -2.567 1.086 1.00 0.00 C ATOM 0 H ILE A 57 62.832 -5.115 1.983 1.00 0.00 H new ATOM 0 HA ILE A 57 64.984 -4.954 4.027 1.00 0.00 H new ATOM 0 HB ILE A 57 62.564 -3.238 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 57 65.068 -2.038 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 57 65.156 -3.700 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.749 -1.432 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.372 -2.791 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 57 65.026 -2.581 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 57 64.152 -2.254 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 57 62.965 -3.446 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 57 62.876 -1.758 1.370 1.00 0.00 H new ATOM 805 N SER A 58 62.547 -6.438 4.944 1.00 0.00 N ATOM 806 CA SER A 58 61.770 -6.948 6.111 1.00 0.00 C ATOM 807 C SER A 58 62.517 -6.643 7.412 1.00 0.00 C ATOM 808 O SER A 58 63.721 -6.484 7.422 1.00 0.00 O ATOM 809 CB SER A 58 61.686 -8.457 5.892 1.00 0.00 C ATOM 810 OG SER A 58 60.454 -8.774 5.259 1.00 0.00 O ATOM 0 H SER A 58 62.569 -7.056 4.133 1.00 0.00 H new ATOM 0 HA SER A 58 60.786 -6.487 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.521 -8.793 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.762 -8.979 6.846 1.00 0.00 H new ATOM 0 HG SER A 58 60.399 -9.742 5.116 1.00 0.00 H new ATOM 816 N GLY A 59 61.815 -6.558 8.508 1.00 0.00 N ATOM 817 CA GLY A 59 62.496 -6.261 9.799 1.00 0.00 C ATOM 818 C GLY A 59 61.492 -5.672 10.787 1.00 0.00 C ATOM 819 O GLY A 59 60.531 -5.043 10.396 1.00 0.00 O ATOM 0 H GLY A 59 60.804 -6.681 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.933 -7.172 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 59 63.315 -5.560 9.636 1.00 0.00 H new ATOM 823 N PRO A 60 61.756 -5.897 12.044 1.00 0.00 N ATOM 824 CA PRO A 60 60.870 -5.378 13.111 1.00 0.00 C ATOM 825 C PRO A 60 61.056 -3.867 13.266 1.00 0.00 C ATOM 826 O PRO A 60 61.314 -3.370 14.344 1.00 0.00 O ATOM 827 CB PRO A 60 61.344 -6.116 14.359 1.00 0.00 C ATOM 828 CG PRO A 60 62.765 -6.489 14.075 1.00 0.00 C ATOM 829 CD PRO A 60 62.893 -6.650 12.582 1.00 0.00 C ATOM 0 HA PRO A 60 59.811 -5.535 12.907 1.00 0.00 H new ATOM 0 HB2 PRO A 60 61.272 -5.482 15.243 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.735 -7.000 14.550 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.445 -5.719 14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 60 63.029 -7.415 14.586 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.841 -6.255 12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.851 -7.699 12.289 1.00 0.00 H new ATOM 837 N GLY A 61 60.926 -3.132 12.196 1.00 0.00 N ATOM 838 CA GLY A 61 61.097 -1.656 12.282 1.00 0.00 C ATOM 839 C GLY A 61 62.247 -1.216 11.372 1.00 0.00 C ATOM 840 O GLY A 61 62.835 -0.172 11.564 1.00 0.00 O ATOM 0 H GLY A 61 60.709 -3.491 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.175 -1.156 11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.303 -1.363 13.312 1.00 0.00 H new ATOM 844 N CYS A 62 62.575 -2.008 10.382 1.00 0.00 N ATOM 845 CA CYS A 62 63.692 -1.634 9.459 1.00 0.00 C ATOM 846 C CYS A 62 63.660 -0.133 9.147 1.00 0.00 C ATOM 847 O CYS A 62 62.807 0.339 8.422 1.00 0.00 O ATOM 848 CB CYS A 62 63.432 -2.437 8.183 1.00 0.00 C ATOM 849 SG CYS A 62 64.929 -3.337 7.710 1.00 0.00 S ATOM 0 H CYS A 62 62.119 -2.896 10.173 1.00 0.00 H new ATOM 0 HA CYS A 62 64.667 -1.846 9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.611 -3.136 8.343 1.00 0.00 H new ATOM 0 HB3 CYS A 62 63.128 -1.769 7.377 1.00 0.00 H new ATOM 854 N LYS A 63 64.588 0.621 9.676 1.00 0.00 N ATOM 855 CA LYS A 63 64.603 2.083 9.386 1.00 0.00 C ATOM 856 C LYS A 63 65.669 2.388 8.331 1.00 0.00 C ATOM 857 O LYS A 63 66.832 2.085 8.508 1.00 0.00 O ATOM 858 CB LYS A 63 64.950 2.756 10.713 1.00 0.00 C ATOM 859 CG LYS A 63 64.905 4.274 10.537 1.00 0.00 C ATOM 860 CD LYS A 63 65.427 4.952 11.804 1.00 0.00 C ATOM 861 CE LYS A 63 65.342 6.473 11.644 1.00 0.00 C ATOM 862 NZ LYS A 63 64.226 6.892 12.539 1.00 0.00 N ATOM 0 H LYS A 63 65.331 0.290 10.292 1.00 0.00 H new ATOM 0 HA LYS A 63 63.649 2.439 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.246 2.447 11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.942 2.446 11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.509 4.569 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.884 4.597 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.842 4.634 12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.458 4.653 11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 63 66.278 6.953 11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 63 65.144 6.751 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 64.106 7.924 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 63.347 6.425 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 64.446 6.621 13.519 1.00 0.00 H new ATOM 876 N ILE A 64 65.286 2.977 7.231 1.00 0.00 N ATOM 877 CA ILE A 64 66.288 3.284 6.170 1.00 0.00 C ATOM 878 C ILE A 64 66.196 4.756 5.757 1.00 0.00 C ATOM 879 O ILE A 64 65.120 5.311 5.641 1.00 0.00 O ATOM 880 CB ILE A 64 65.909 2.370 5.003 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.813 0.926 5.500 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.968 2.464 3.903 1.00 0.00 C ATOM 883 CD1 ILE A 64 64.410 0.671 6.055 1.00 0.00 C ATOM 0 H ILE A 64 64.328 3.258 7.021 1.00 0.00 H new ATOM 0 HA ILE A 64 67.312 3.119 6.505 1.00 0.00 H new ATOM 0 HB ILE A 64 64.946 2.683 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 64 66.025 0.234 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.560 0.745 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.692 1.811 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.033 3.492 3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.935 2.156 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 64 64.340 -0.357 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.216 1.354 6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 64 63.673 0.835 5.269 1.00 0.00 H new ATOM 895 N SER A 65 67.314 5.399 5.534 1.00 0.00 N ATOM 896 CA SER A 65 67.274 6.833 5.132 1.00 0.00 C ATOM 897 C SER A 65 68.373 7.150 4.112 1.00 0.00 C ATOM 898 O SER A 65 69.550 7.136 4.417 1.00 0.00 O ATOM 899 CB SER A 65 67.496 7.616 6.423 1.00 0.00 C ATOM 900 OG SER A 65 68.800 8.185 6.416 1.00 0.00 O ATOM 0 H SER A 65 68.247 4.994 5.613 1.00 0.00 H new ATOM 0 HA SER A 65 66.329 7.091 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.746 8.401 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.380 6.958 7.284 1.00 0.00 H new ATOM 0 HG SER A 65 69.444 7.523 6.089 1.00 0.00 H new ATOM 906 N THR A 66 67.985 7.450 2.906 1.00 0.00 N ATOM 907 CA THR A 66 68.976 7.792 1.846 1.00 0.00 C ATOM 908 C THR A 66 70.122 6.776 1.780 1.00 0.00 C ATOM 909 O THR A 66 71.208 7.025 2.261 1.00 0.00 O ATOM 910 CB THR A 66 69.515 9.169 2.229 1.00 0.00 C ATOM 911 OG1 THR A 66 68.464 9.954 2.775 1.00 0.00 O ATOM 912 CG2 THR A 66 70.077 9.854 0.983 1.00 0.00 C ATOM 0 H THR A 66 67.011 7.474 2.604 1.00 0.00 H new ATOM 0 HA THR A 66 68.509 7.782 0.861 1.00 0.00 H new ATOM 0 HB THR A 66 70.305 9.061 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 66 68.810 10.837 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.463 10.837 1.251 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.883 9.249 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.286 9.965 0.241 1.00 0.00 H new ATOM 920 N CYS A 67 69.895 5.658 1.144 1.00 0.00 N ATOM 921 CA CYS A 67 70.976 4.635 0.990 1.00 0.00 C ATOM 922 C CYS A 67 70.910 4.060 -0.422 1.00 0.00 C ATOM 923 O CYS A 67 69.846 3.770 -0.931 1.00 0.00 O ATOM 924 CB CYS A 67 70.703 3.525 2.016 1.00 0.00 C ATOM 925 SG CYS A 67 71.909 2.191 1.781 1.00 0.00 S ATOM 0 H CYS A 67 69.002 5.406 0.721 1.00 0.00 H new ATOM 0 HA CYS A 67 71.962 5.070 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 67 70.775 3.923 3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.690 3.142 1.895 1.00 0.00 H new ATOM 930 N ILE A 68 72.029 3.889 -1.061 1.00 0.00 N ATOM 931 CA ILE A 68 72.003 3.329 -2.436 1.00 0.00 C ATOM 932 C ILE A 68 72.118 1.809 -2.363 1.00 0.00 C ATOM 933 O ILE A 68 73.191 1.245 -2.399 1.00 0.00 O ATOM 934 CB ILE A 68 73.200 3.939 -3.157 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.954 5.435 -3.391 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.364 3.243 -4.503 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.907 6.168 -2.050 1.00 0.00 C ATOM 0 H ILE A 68 72.955 4.111 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 68 71.078 3.560 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 68 74.099 3.812 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.746 5.850 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 68 72.016 5.579 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 68 74.217 3.669 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.531 2.178 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.462 3.384 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.732 7.230 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 68 72.100 5.761 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.856 6.036 -1.530 1.00 0.00 H new ATOM 949 N ILE A 69 71.006 1.154 -2.240 1.00 0.00 N ATOM 950 CA ILE A 69 70.999 -0.329 -2.135 1.00 0.00 C ATOM 951 C ILE A 69 70.733 -0.957 -3.510 1.00 0.00 C ATOM 952 O ILE A 69 70.203 -0.321 -4.398 1.00 0.00 O ATOM 953 CB ILE A 69 69.854 -0.622 -1.160 1.00 0.00 C ATOM 954 CG1 ILE A 69 69.954 0.315 0.062 1.00 0.00 C ATOM 955 CG2 ILE A 69 69.932 -2.076 -0.697 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.600 0.385 0.763 1.00 0.00 C ATOM 0 H ILE A 69 70.084 1.588 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 69 71.948 -0.741 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 69 68.903 -0.453 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.714 -0.050 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.263 1.311 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.116 -2.281 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.850 -2.737 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.885 -2.248 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.671 1.047 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.851 0.770 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.309 -0.612 1.093 1.00 0.00 H new ATOM 968 N THR A 70 71.105 -2.198 -3.693 1.00 0.00 N ATOM 969 CA THR A 70 70.881 -2.859 -5.013 1.00 0.00 C ATOM 970 C THR A 70 71.073 -4.376 -4.892 1.00 0.00 C ATOM 971 O THR A 70 72.180 -4.862 -4.776 1.00 0.00 O ATOM 972 CB THR A 70 71.940 -2.253 -5.936 1.00 0.00 C ATOM 973 OG1 THR A 70 71.532 -0.949 -6.327 1.00 0.00 O ATOM 974 CG2 THR A 70 72.105 -3.130 -7.178 1.00 0.00 C ATOM 0 H THR A 70 71.553 -2.781 -2.986 1.00 0.00 H new ATOM 0 HA THR A 70 69.870 -2.702 -5.389 1.00 0.00 H new ATOM 0 HB THR A 70 72.892 -2.196 -5.408 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.714 -0.704 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.860 -2.695 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.417 -4.130 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.155 -3.191 -7.709 1.00 0.00 H new ATOM 982 N GLY A 71 70.007 -5.129 -4.922 1.00 0.00 N ATOM 983 CA GLY A 71 70.142 -6.611 -4.808 1.00 0.00 C ATOM 984 C GLY A 71 70.169 -6.998 -3.334 1.00 0.00 C ATOM 985 O GLY A 71 70.845 -7.928 -2.937 1.00 0.00 O ATOM 0 H GLY A 71 69.052 -4.785 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.310 -7.104 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.055 -6.944 -5.301 1.00 0.00 H new ATOM 989 N GLY A 72 69.443 -6.294 -2.517 1.00 0.00 N ATOM 990 CA GLY A 72 69.433 -6.623 -1.070 1.00 0.00 C ATOM 991 C GLY A 72 70.777 -6.231 -0.457 1.00 0.00 C ATOM 992 O GLY A 72 71.164 -6.727 0.582 1.00 0.00 O ATOM 0 H GLY A 72 68.856 -5.505 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.623 -6.093 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.252 -7.688 -0.928 1.00 0.00 H new ATOM 996 N VAL A 73 71.495 -5.347 -1.095 1.00 0.00 N ATOM 997 CA VAL A 73 72.817 -4.925 -0.547 1.00 0.00 C ATOM 998 C VAL A 73 72.880 -3.399 -0.401 1.00 0.00 C ATOM 999 O VAL A 73 72.739 -2.675 -1.367 1.00 0.00 O ATOM 1000 CB VAL A 73 73.839 -5.407 -1.576 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.523 -6.849 -1.972 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.776 -4.512 -2.816 1.00 0.00 C ATOM 0 H VAL A 73 71.224 -4.899 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 73 73.002 -5.340 0.444 1.00 0.00 H new ATOM 0 HB VAL A 73 74.839 -5.360 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.252 -7.193 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.568 -7.487 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.523 -6.897 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.505 -4.856 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.776 -4.559 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.002 -3.484 -2.534 1.00 0.00 H new ATOM 1012 N PRO A 74 73.100 -2.959 0.809 1.00 0.00 N ATOM 1013 CA PRO A 74 73.192 -1.506 1.084 1.00 0.00 C ATOM 1014 C PRO A 74 74.560 -0.968 0.654 1.00 0.00 C ATOM 1015 O PRO A 74 75.573 -1.614 0.835 1.00 0.00 O ATOM 1016 CB PRO A 74 73.038 -1.420 2.600 1.00 0.00 C ATOM 1017 CG PRO A 74 73.485 -2.752 3.120 1.00 0.00 C ATOM 1018 CD PRO A 74 73.276 -3.764 2.021 1.00 0.00 C ATOM 0 HA PRO A 74 72.446 -0.921 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 74 73.645 -0.613 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.004 -1.216 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 74 74.534 -2.716 3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 74 72.915 -3.027 4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.131 -4.435 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 74 72.402 -4.386 2.215 1.00 0.00 H new ATOM 1026 N ALA A 75 74.600 0.211 0.093 1.00 0.00 N ATOM 1027 CA ALA A 75 75.907 0.788 -0.334 1.00 0.00 C ATOM 1028 C ALA A 75 76.451 1.705 0.763 1.00 0.00 C ATOM 1029 O ALA A 75 75.710 2.458 1.364 1.00 0.00 O ATOM 1030 CB ALA A 75 75.598 1.590 -1.599 1.00 0.00 C ATOM 0 H ALA A 75 73.786 0.798 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 75 76.659 0.021 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.514 2.046 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 75 75.186 0.926 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.873 2.370 -1.367 1.00 0.00 H new ATOM 1036 N PRO A 76 77.731 1.611 0.989 1.00 0.00 N ATOM 1037 CA PRO A 76 78.381 2.443 2.029 1.00 0.00 C ATOM 1038 C PRO A 76 78.484 3.894 1.557 1.00 0.00 C ATOM 1039 O PRO A 76 79.555 4.387 1.260 1.00 0.00 O ATOM 1040 CB PRO A 76 79.763 1.817 2.178 1.00 0.00 C ATOM 1041 CG PRO A 76 80.023 1.137 0.870 1.00 0.00 C ATOM 1042 CD PRO A 76 78.685 0.732 0.305 1.00 0.00 C ATOM 0 HA PRO A 76 77.830 2.467 2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.519 2.574 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 79.787 1.106 3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.543 1.806 0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.662 0.265 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.650 0.869 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.471 -0.319 0.500 1.00 0.00 H new ATOM 1050 N SER A 77 77.377 4.583 1.485 1.00 0.00 N ATOM 1051 CA SER A 77 77.415 6.000 1.032 1.00 0.00 C ATOM 1052 C SER A 77 77.416 6.941 2.238 1.00 0.00 C ATOM 1053 O SER A 77 77.152 6.538 3.354 1.00 0.00 O ATOM 1054 CB SER A 77 76.145 6.192 0.203 1.00 0.00 C ATOM 1055 OG SER A 77 76.320 7.304 -0.667 1.00 0.00 O ATOM 0 H SER A 77 76.451 4.226 1.720 1.00 0.00 H new ATOM 0 HA SER A 77 78.312 6.222 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.934 5.292 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.290 6.358 0.858 1.00 0.00 H new ATOM 0 HG SER A 77 75.509 7.431 -1.203 1.00 0.00 H new ATOM 1061 N ALA A 78 77.716 8.192 2.023 1.00 0.00 N ATOM 1062 CA ALA A 78 77.739 9.161 3.155 1.00 0.00 C ATOM 1063 C ALA A 78 76.332 9.338 3.736 1.00 0.00 C ATOM 1064 O ALA A 78 76.160 9.862 4.819 1.00 0.00 O ATOM 1065 CB ALA A 78 78.234 10.469 2.541 1.00 0.00 C ATOM 0 H ALA A 78 77.947 8.586 1.111 1.00 0.00 H new ATOM 0 HA ALA A 78 78.376 8.825 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 78 78.280 11.238 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.227 10.319 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 78 77.548 10.784 1.754 1.00 0.00 H new ATOM 1071 N ALA A 79 75.324 8.911 3.025 1.00 0.00 N ATOM 1072 CA ALA A 79 73.931 9.065 3.540 1.00 0.00 C ATOM 1073 C ALA A 79 73.318 7.698 3.865 1.00 0.00 C ATOM 1074 O ALA A 79 72.577 7.553 4.817 1.00 0.00 O ATOM 1075 CB ALA A 79 73.164 9.739 2.402 1.00 0.00 C ATOM 0 H ALA A 79 75.403 8.463 2.112 1.00 0.00 H new ATOM 0 HA ALA A 79 73.898 9.647 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.127 9.889 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 79 73.620 10.703 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.198 9.106 1.515 1.00 0.00 H new ATOM 1081 N CYS A 80 73.611 6.697 3.080 1.00 0.00 N ATOM 1082 CA CYS A 80 73.032 5.346 3.346 1.00 0.00 C ATOM 1083 C CYS A 80 73.120 5.001 4.835 1.00 0.00 C ATOM 1084 O CYS A 80 74.173 5.061 5.438 1.00 0.00 O ATOM 1085 CB CYS A 80 73.877 4.376 2.525 1.00 0.00 C ATOM 1086 SG CYS A 80 73.454 2.678 2.990 1.00 0.00 S ATOM 0 H CYS A 80 74.225 6.754 2.267 1.00 0.00 H new ATOM 0 HA CYS A 80 71.977 5.300 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.698 4.530 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.937 4.560 2.700 1.00 0.00 H new ATOM 1091 N LYS A 81 72.017 4.632 5.429 1.00 0.00 N ATOM 1092 CA LYS A 81 72.022 4.275 6.874 1.00 0.00 C ATOM 1093 C LYS A 81 72.183 2.757 7.043 1.00 0.00 C ATOM 1094 O LYS A 81 72.415 2.040 6.090 1.00 0.00 O ATOM 1095 CB LYS A 81 70.658 4.768 7.393 1.00 0.00 C ATOM 1096 CG LYS A 81 69.619 3.633 7.410 1.00 0.00 C ATOM 1097 CD LYS A 81 69.595 2.903 6.058 1.00 0.00 C ATOM 1098 CE LYS A 81 69.501 1.403 6.304 1.00 0.00 C ATOM 1099 NZ LYS A 81 70.162 0.779 5.124 1.00 0.00 N ATOM 0 H LYS A 81 71.108 4.563 4.971 1.00 0.00 H new ATOM 0 HA LYS A 81 72.847 4.726 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 81 70.774 5.172 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.300 5.582 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 81 69.856 2.927 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 81 68.631 4.040 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.746 3.241 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.495 3.135 5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 81 70.001 1.123 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 81 68.463 1.081 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 70.168 -0.255 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.640 1.031 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 71.140 1.125 5.051 1.00 0.00 H new ATOM 1113 N ILE A 82 72.053 2.269 8.244 1.00 0.00 N ATOM 1114 CA ILE A 82 72.191 0.802 8.476 1.00 0.00 C ATOM 1115 C ILE A 82 72.016 0.501 9.972 1.00 0.00 C ATOM 1116 O ILE A 82 72.699 -0.328 10.543 1.00 0.00 O ATOM 1117 CB ILE A 82 73.602 0.457 7.956 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.555 -0.905 7.259 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.623 0.419 9.098 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.722 -0.794 5.976 1.00 0.00 C ATOM 0 H ILE A 82 71.857 2.823 9.078 1.00 0.00 H new ATOM 0 HA ILE A 82 71.438 0.202 7.964 1.00 0.00 H new ATOM 0 HB ILE A 82 73.914 1.230 7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.565 -1.239 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 82 73.120 -1.651 7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.607 0.173 8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.662 1.394 9.584 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.328 -0.337 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 82 72.688 -1.764 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 82 71.709 -0.479 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.176 -0.061 5.310 1.00 0.00 H new ATOM 1132 N SER A 83 71.102 1.181 10.615 1.00 0.00 N ATOM 1133 CA SER A 83 70.887 0.952 12.074 1.00 0.00 C ATOM 1134 C SER A 83 69.616 0.144 12.340 1.00 0.00 C ATOM 1135 O SER A 83 68.561 0.694 12.582 1.00 0.00 O ATOM 1136 CB SER A 83 70.741 2.347 12.673 1.00 0.00 C ATOM 1137 OG SER A 83 72.028 2.929 12.832 1.00 0.00 O ATOM 0 H SER A 83 70.496 1.884 10.193 1.00 0.00 H new ATOM 0 HA SER A 83 71.711 0.384 12.506 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.125 2.971 12.025 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.234 2.290 13.636 1.00 0.00 H new ATOM 0 HG SER A 83 71.936 3.826 13.215 1.00 0.00 H new ATOM 1143 N GLY A 84 69.708 -1.154 12.328 1.00 0.00 N ATOM 1144 CA GLY A 84 68.504 -1.985 12.612 1.00 0.00 C ATOM 1145 C GLY A 84 67.739 -2.274 11.323 1.00 0.00 C ATOM 1146 O GLY A 84 66.549 -2.048 11.235 1.00 0.00 O ATOM 0 H GLY A 84 70.562 -1.677 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.804 -2.922 13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.856 -1.467 13.319 1.00 0.00 H new ATOM 1150 N CYS A 85 68.405 -2.784 10.328 1.00 0.00 N ATOM 1151 CA CYS A 85 67.701 -3.099 9.058 1.00 0.00 C ATOM 1152 C CYS A 85 68.576 -4.001 8.187 1.00 0.00 C ATOM 1153 O CYS A 85 69.734 -4.228 8.476 1.00 0.00 O ATOM 1154 CB CYS A 85 67.460 -1.746 8.383 1.00 0.00 C ATOM 1155 SG CYS A 85 66.213 -1.908 7.071 1.00 0.00 S ATOM 0 H CYS A 85 69.403 -2.996 10.339 1.00 0.00 H new ATOM 0 HA CYS A 85 66.764 -3.632 9.222 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.127 -1.017 9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.393 -1.370 7.963 1.00 0.00 H new ATOM 1160 N THR A 86 68.030 -4.522 7.127 1.00 0.00 N ATOM 1161 CA THR A 86 68.827 -5.413 6.246 1.00 0.00 C ATOM 1162 C THR A 86 68.001 -5.820 5.035 1.00 0.00 C ATOM 1163 O THR A 86 66.787 -5.762 5.051 1.00 0.00 O ATOM 1164 CB THR A 86 69.141 -6.642 7.097 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.911 -7.558 6.334 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.834 -7.308 7.536 1.00 0.00 C ATOM 0 H THR A 86 67.065 -4.369 6.833 1.00 0.00 H new ATOM 0 HA THR A 86 69.730 -4.925 5.880 1.00 0.00 H new ATOM 0 HB THR A 86 69.705 -6.341 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 86 70.115 -8.347 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 86 68.059 -8.185 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.245 -6.602 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 86 67.267 -7.612 6.656 1.00 0.00 H new ATOM 1174 N PHE A 87 68.648 -6.242 3.992 1.00 0.00 N ATOM 1175 CA PHE A 87 67.899 -6.665 2.777 1.00 0.00 C ATOM 1176 C PHE A 87 68.315 -8.080 2.370 1.00 0.00 C ATOM 1177 O PHE A 87 69.427 -8.506 2.610 1.00 0.00 O ATOM 1178 CB PHE A 87 68.291 -5.678 1.672 1.00 0.00 C ATOM 1179 CG PHE A 87 68.442 -4.277 2.220 1.00 0.00 C ATOM 1180 CD1 PHE A 87 67.530 -3.780 3.158 1.00 0.00 C ATOM 1181 CD2 PHE A 87 69.497 -3.471 1.773 1.00 0.00 C ATOM 1182 CE1 PHE A 87 67.675 -2.476 3.653 1.00 0.00 C ATOM 1183 CE2 PHE A 87 69.641 -2.170 2.265 1.00 0.00 C ATOM 1184 CZ PHE A 87 68.730 -1.673 3.205 1.00 0.00 C ATOM 0 H PHE A 87 69.663 -6.314 3.925 1.00 0.00 H new ATOM 0 HA PHE A 87 66.824 -6.668 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.227 -5.995 1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.533 -5.685 0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 87 66.715 -4.400 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.200 -3.855 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 87 66.974 -2.092 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 87 70.454 -1.549 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 87 68.842 -0.668 3.585 1.00 0.00 H new ATOM 1194 N SER A 88 67.433 -8.805 1.742 1.00 0.00 N ATOM 1195 CA SER A 88 67.776 -10.185 1.301 1.00 0.00 C ATOM 1196 C SER A 88 67.344 -10.371 -0.154 1.00 0.00 C ATOM 1197 O SER A 88 67.010 -11.458 -0.582 1.00 0.00 O ATOM 1198 CB SER A 88 66.986 -11.113 2.225 1.00 0.00 C ATOM 1199 OG SER A 88 67.707 -12.327 2.399 1.00 0.00 O ATOM 0 H SER A 88 66.487 -8.500 1.514 1.00 0.00 H new ATOM 0 HA SER A 88 68.845 -10.391 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.823 -10.632 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.003 -11.318 1.800 1.00 0.00 H new ATOM 0 HG SER A 88 67.204 -12.924 2.992 1.00 0.00 H new ATOM 1205 N ALA A 89 67.340 -9.308 -0.916 1.00 0.00 N ATOM 1206 CA ALA A 89 66.920 -9.408 -2.342 1.00 0.00 C ATOM 1207 C ALA A 89 65.565 -10.113 -2.431 1.00 0.00 C ATOM 1208 O ALA A 89 65.484 -11.306 -2.648 1.00 0.00 O ATOM 1209 CB ALA A 89 68.014 -10.223 -3.029 1.00 0.00 C ATOM 0 H ALA A 89 67.611 -8.373 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 89 66.802 -8.433 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.773 -10.338 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 89 68.969 -9.707 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.082 -11.206 -2.563 1.00 0.00 H new ATOM 1215 N ASN A 90 64.500 -9.380 -2.252 1.00 0.00 N ATOM 1216 CA ASN A 90 63.144 -9.997 -2.310 1.00 0.00 C ATOM 1217 C ASN A 90 62.818 -10.442 -3.743 1.00 0.00 C ATOM 1218 O ASN A 90 63.336 -9.833 -4.665 1.00 0.00 O ATOM 1219 CB ASN A 90 62.194 -8.887 -1.827 1.00 0.00 C ATOM 1220 CG ASN A 90 61.717 -8.040 -3.011 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.530 -7.893 -3.231 1.00 0.00 O ATOM 1222 ND2 ASN A 90 62.602 -7.475 -3.789 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.058 -11.385 -3.890 1.00 0.00 O ATOM 0 H ASN A 90 64.511 -8.377 -2.067 1.00 0.00 H new ATOM 0 HA ASN A 90 63.059 -10.893 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.337 -9.329 -1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.704 -8.254 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.297 -6.910 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.597 -7.599 -3.603 1.00 0.00 H new TER 1230 ASN A 90