USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 771 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 78 SER OG : rot -88:sc= 0.148 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.143 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -114:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 MET CE :methyl -177:sc= -1.97! (180deg=-1.92!) USER MOD Set 3.1: A 25 THR OG1 : rot -142:sc= 0.284 USER MOD Set 3.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 67 HIS : no HD1:sc= 0.258 K(o=0.54,f=-0.24) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.097 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 0.641 USER MOD Single : A 5 SER OG : rot -53:sc= 0.264 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 13 GLN : amide:sc= -0.507 K(o=-0.51,f=-4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.377 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.852 (180deg=-1.22) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -19:sc= 0.649 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.0446 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -1.3! (180deg=-1.44!) USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= -0.344 (180deg=-1.38!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.00255 (180deg=0.00188) USER MOD Single : A 57 GLN : amide:sc= 0.166 X(o=0.17,f=-0.31) USER MOD Single : A 60 THR OG1 : rot 11:sc= 0.533 USER MOD Single : A 62 CYS SG : rot -47:sc= -0.139 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 165:sc= -0.262 USER MOD Single : A 79 CYS SG : rot 99:sc= 0.754 USER MOD Single : A 81 CYS SG : rot 70:sc= -1.63 USER MOD Single : A 83 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.5!) USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.134 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -102:sc= 0.0536 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.230 29.778 6.367 1.00 0.00 N ATOM 2 CA GLY A 1 29.933 29.128 6.404 1.00 0.00 C ATOM 3 C GLY A 1 29.242 29.135 5.055 1.00 0.00 C ATOM 4 O GLY A 1 29.722 29.756 4.107 1.00 0.00 O ATOM 0 H1 GLY A 1 31.975 29.078 6.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.383 30.194 5.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.263 30.528 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.056 28.099 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.300 29.629 7.136 1.00 0.00 H new ATOM 8 N SER A 2 28.112 28.440 4.967 1.00 0.00 N ATOM 9 CA SER A 2 27.357 28.364 3.722 1.00 0.00 C ATOM 10 C SER A 2 26.344 29.502 3.630 1.00 0.00 C ATOM 11 O SER A 2 26.171 30.271 4.575 1.00 0.00 O ATOM 12 CB SER A 2 26.638 27.017 3.618 1.00 0.00 C ATOM 13 OG SER A 2 27.561 25.961 3.420 1.00 0.00 O ATOM 0 H SER A 2 27.700 27.922 5.743 1.00 0.00 H new ATOM 0 HA SER A 2 28.060 28.458 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.064 26.837 4.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.928 27.043 2.792 1.00 0.00 H new ATOM 0 HG SER A 2 27.077 25.111 3.358 1.00 0.00 H new ATOM 19 N SER A 3 25.677 29.601 2.485 1.00 0.00 N ATOM 20 CA SER A 3 24.684 30.647 2.266 1.00 0.00 C ATOM 21 C SER A 3 23.714 30.251 1.158 1.00 0.00 C ATOM 22 O SER A 3 24.041 29.443 0.290 1.00 0.00 O ATOM 23 CB SER A 3 25.372 31.966 1.911 1.00 0.00 C ATOM 24 OG SER A 3 25.751 32.674 3.079 1.00 0.00 O ATOM 0 H SER A 3 25.806 28.970 1.694 1.00 0.00 H new ATOM 0 HA SER A 3 24.119 30.777 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.253 31.768 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.700 32.580 1.311 1.00 0.00 H new ATOM 0 HG SER A 3 25.945 32.038 3.799 1.00 0.00 H new ATOM 30 N GLY A 4 22.516 30.828 1.194 1.00 0.00 N ATOM 31 CA GLY A 4 21.516 30.524 0.188 1.00 0.00 C ATOM 32 C GLY A 4 20.596 29.395 0.608 1.00 0.00 C ATOM 33 O GLY A 4 19.689 29.592 1.417 1.00 0.00 O ATOM 0 H GLY A 4 22.221 31.500 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.923 31.417 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.013 30.256 -0.744 1.00 0.00 H new ATOM 37 N SER A 5 20.828 28.208 0.057 1.00 0.00 N ATOM 38 CA SER A 5 20.010 27.044 0.375 1.00 0.00 C ATOM 39 C SER A 5 18.548 27.441 0.557 1.00 0.00 C ATOM 40 O SER A 5 17.876 26.974 1.477 1.00 0.00 O ATOM 41 CB SER A 5 20.526 26.362 1.643 1.00 0.00 C ATOM 42 OG SER A 5 19.925 25.090 1.820 1.00 0.00 O ATOM 0 H SER A 5 21.576 28.027 -0.612 1.00 0.00 H new ATOM 0 HA SER A 5 20.078 26.345 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.609 26.251 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.316 26.990 2.509 1.00 0.00 H new ATOM 0 HG SER A 5 18.950 25.181 1.781 1.00 0.00 H new ATOM 48 N SER A 6 18.062 28.306 -0.328 1.00 0.00 N ATOM 49 CA SER A 6 16.681 28.769 -0.264 1.00 0.00 C ATOM 50 C SER A 6 16.069 28.847 -1.659 1.00 0.00 C ATOM 51 O SER A 6 16.767 29.086 -2.643 1.00 0.00 O ATOM 52 CB SER A 6 16.612 30.140 0.413 1.00 0.00 C ATOM 53 OG SER A 6 15.370 30.321 1.072 1.00 0.00 O ATOM 0 H SER A 6 18.604 28.700 -1.097 1.00 0.00 H new ATOM 0 HA SER A 6 16.110 28.051 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.426 30.236 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.750 30.924 -0.331 1.00 0.00 H new ATOM 0 HG SER A 6 15.351 31.203 1.498 1.00 0.00 H new ATOM 59 N GLY A 7 14.757 28.644 -1.735 1.00 0.00 N ATOM 60 CA GLY A 7 14.071 28.695 -3.013 1.00 0.00 C ATOM 61 C GLY A 7 12.956 27.674 -3.114 1.00 0.00 C ATOM 62 O GLY A 7 11.828 27.910 -2.681 1.00 0.00 O ATOM 0 H GLY A 7 14.157 28.445 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.660 29.693 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.790 28.524 -3.815 1.00 0.00 H new ATOM 66 N PRO A 8 13.267 26.507 -3.699 1.00 0.00 N ATOM 67 CA PRO A 8 12.295 25.423 -3.870 1.00 0.00 C ATOM 68 C PRO A 8 11.916 24.770 -2.546 1.00 0.00 C ATOM 69 O PRO A 8 12.575 24.982 -1.528 1.00 0.00 O ATOM 70 CB PRO A 8 13.031 24.426 -4.768 1.00 0.00 C ATOM 71 CG PRO A 8 14.476 24.684 -4.516 1.00 0.00 C ATOM 72 CD PRO A 8 14.591 26.157 -4.239 1.00 0.00 C ATOM 0 HA PRO A 8 11.354 25.781 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.763 23.399 -4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.779 24.578 -5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.835 24.099 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.079 24.401 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.386 26.371 -3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.817 26.720 -5.145 1.00 0.00 H new ATOM 80 N ALA A 9 10.852 23.974 -2.566 1.00 0.00 N ATOM 81 CA ALA A 9 10.388 23.288 -1.367 1.00 0.00 C ATOM 82 C ALA A 9 11.344 22.168 -0.971 1.00 0.00 C ATOM 83 O ALA A 9 11.616 21.264 -1.760 1.00 0.00 O ATOM 84 CB ALA A 9 8.986 22.736 -1.584 1.00 0.00 C ATOM 0 H ALA A 9 10.295 23.788 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 9 10.360 24.011 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.652 22.226 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.304 23.555 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.997 22.031 -2.415 1.00 0.00 H new ATOM 90 N ARG A 10 11.850 22.235 0.256 1.00 0.00 N ATOM 91 CA ARG A 10 12.778 21.228 0.756 1.00 0.00 C ATOM 92 C ARG A 10 12.125 20.380 1.844 1.00 0.00 C ATOM 93 O ARG A 10 11.451 20.903 2.732 1.00 0.00 O ATOM 94 CB ARG A 10 14.042 21.894 1.303 1.00 0.00 C ATOM 95 CG ARG A 10 13.797 22.740 2.542 1.00 0.00 C ATOM 96 CD ARG A 10 15.103 23.214 3.160 1.00 0.00 C ATOM 97 NE ARG A 10 14.911 24.379 4.019 1.00 0.00 N ATOM 98 CZ ARG A 10 15.885 24.937 4.729 1.00 0.00 C ATOM 99 NH1 ARG A 10 17.112 24.438 4.683 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.632 25.996 5.488 1.00 0.00 N ATOM 0 H ARG A 10 11.633 22.976 0.922 1.00 0.00 H new ATOM 0 HA ARG A 10 13.050 20.577 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.776 21.123 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.478 22.521 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.183 23.602 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.236 22.160 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.544 22.404 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.810 23.460 2.368 1.00 0.00 H new ATOM 0 HE ARG A 10 13.978 24.787 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.310 23.624 4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.858 24.868 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.689 26.382 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.381 26.424 6.033 1.00 0.00 H new ATOM 114 N PHE A 11 12.329 19.069 1.768 1.00 0.00 N ATOM 115 CA PHE A 11 11.759 18.149 2.745 1.00 0.00 C ATOM 116 C PHE A 11 12.197 18.517 4.159 1.00 0.00 C ATOM 117 O PHE A 11 13.349 18.887 4.389 1.00 0.00 O ATOM 118 CB PHE A 11 12.178 16.711 2.427 1.00 0.00 C ATOM 119 CG PHE A 11 11.438 16.115 1.264 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.200 15.519 1.446 1.00 0.00 C ATOM 121 CD2 PHE A 11 11.980 16.149 -0.010 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.516 14.969 0.378 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.301 15.601 -1.082 1.00 0.00 C ATOM 124 CZ PHE A 11 10.068 15.010 -0.888 1.00 0.00 C ATOM 0 H PHE A 11 12.885 18.620 1.040 1.00 0.00 H new ATOM 0 HA PHE A 11 10.673 18.225 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.247 16.691 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.015 16.090 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.765 15.484 2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.944 16.609 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.552 14.508 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.734 15.635 -2.071 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.536 14.581 -1.724 1.00 0.00 H new ATOM 134 N THR A 12 11.269 18.414 5.105 1.00 0.00 N ATOM 135 CA THR A 12 11.557 18.738 6.497 1.00 0.00 C ATOM 136 C THR A 12 11.439 17.504 7.384 1.00 0.00 C ATOM 137 O THR A 12 12.190 17.347 8.346 1.00 0.00 O ATOM 138 CB THR A 12 10.610 19.831 7.027 1.00 0.00 C ATOM 139 OG1 THR A 12 9.248 19.421 6.862 1.00 0.00 O ATOM 140 CG2 THR A 12 10.840 21.147 6.300 1.00 0.00 C ATOM 0 H THR A 12 10.311 18.109 4.933 1.00 0.00 H new ATOM 0 HA THR A 12 12.581 19.109 6.530 1.00 0.00 H new ATOM 0 HB THR A 12 10.819 19.979 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.652 20.120 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.160 21.903 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.869 21.472 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.656 21.011 5.234 1.00 0.00 H new ATOM 148 N GLN A 13 10.491 16.633 7.054 1.00 0.00 N ATOM 149 CA GLN A 13 10.276 15.412 7.823 1.00 0.00 C ATOM 150 C GLN A 13 10.554 14.177 6.973 1.00 0.00 C ATOM 151 O GLN A 13 9.790 13.852 6.064 1.00 0.00 O ATOM 152 CB GLN A 13 8.843 15.367 8.356 1.00 0.00 C ATOM 153 CG GLN A 13 8.683 16.001 9.728 1.00 0.00 C ATOM 154 CD GLN A 13 9.231 15.129 10.841 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.249 14.457 10.674 1.00 0.00 O ATOM 156 NE2 GLN A 13 8.558 15.136 11.985 1.00 0.00 N ATOM 0 H GLN A 13 9.860 16.749 6.261 1.00 0.00 H new ATOM 0 HA GLN A 13 10.970 15.415 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.186 15.876 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.515 14.329 8.404 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.194 16.964 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.627 16.198 9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.719 15.708 12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.880 14.569 12.770 1.00 0.00 H new ATOM 165 N ASP A 14 11.653 13.494 7.273 1.00 0.00 N ATOM 166 CA ASP A 14 12.033 12.294 6.537 1.00 0.00 C ATOM 167 C ASP A 14 10.802 11.473 6.163 1.00 0.00 C ATOM 168 O ASP A 14 9.870 11.336 6.957 1.00 0.00 O ATOM 169 CB ASP A 14 12.995 11.443 7.367 1.00 0.00 C ATOM 170 CG ASP A 14 12.548 11.304 8.809 1.00 0.00 C ATOM 171 OD1 ASP A 14 11.339 11.471 9.075 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.407 11.028 9.672 1.00 0.00 O ATOM 0 H ASP A 14 12.297 13.751 8.021 1.00 0.00 H new ATOM 0 HA ASP A 14 12.534 12.604 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.079 10.453 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.988 11.891 7.339 1.00 0.00 H new ATOM 177 N LEU A 15 10.804 10.931 4.951 1.00 0.00 N ATOM 178 CA LEU A 15 9.687 10.125 4.470 1.00 0.00 C ATOM 179 C LEU A 15 9.585 8.818 5.249 1.00 0.00 C ATOM 180 O LEU A 15 10.585 8.133 5.469 1.00 0.00 O ATOM 181 CB LEU A 15 9.849 9.832 2.978 1.00 0.00 C ATOM 182 CG LEU A 15 8.554 9.647 2.186 1.00 0.00 C ATOM 183 CD1 LEU A 15 8.843 9.603 0.693 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.833 8.383 2.629 1.00 0.00 C ATOM 0 H LEU A 15 11.567 11.035 4.282 1.00 0.00 H new ATOM 0 HA LEU A 15 8.769 10.691 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.414 10.648 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.450 8.930 2.869 1.00 0.00 H new ATOM 0 HG LEU A 15 7.905 10.500 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.910 9.471 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.315 10.536 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.512 8.770 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.914 8.268 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.476 7.519 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.591 8.455 3.689 1.00 0.00 H new ATOM 196 N LYS A 16 8.370 8.475 5.663 1.00 0.00 N ATOM 197 CA LYS A 16 8.135 7.248 6.415 1.00 0.00 C ATOM 198 C LYS A 16 7.143 6.346 5.687 1.00 0.00 C ATOM 199 O LYS A 16 6.560 6.736 4.675 1.00 0.00 O ATOM 200 CB LYS A 16 7.610 7.576 7.815 1.00 0.00 C ATOM 201 CG LYS A 16 8.705 7.715 8.858 1.00 0.00 C ATOM 202 CD LYS A 16 9.386 6.385 9.133 1.00 0.00 C ATOM 203 CE LYS A 16 8.405 5.359 9.678 1.00 0.00 C ATOM 204 NZ LYS A 16 9.074 4.369 10.567 1.00 0.00 N ATOM 0 H LYS A 16 7.532 9.030 5.490 1.00 0.00 H new ATOM 0 HA LYS A 16 9.084 6.718 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.041 8.505 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.919 6.793 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.444 8.439 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.280 8.105 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.835 6.008 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.196 6.531 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.616 5.869 10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.927 4.838 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.371 3.687 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.810 3.864 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.509 4.863 11.372 1.00 0.00 H new ATOM 218 N THR A 17 6.955 5.138 6.209 1.00 0.00 N ATOM 219 CA THR A 17 6.034 4.181 5.610 1.00 0.00 C ATOM 220 C THR A 17 5.456 3.241 6.661 1.00 0.00 C ATOM 221 O THR A 17 5.837 3.292 7.831 1.00 0.00 O ATOM 222 CB THR A 17 6.726 3.345 4.516 1.00 0.00 C ATOM 223 OG1 THR A 17 5.807 2.389 3.975 1.00 0.00 O ATOM 224 CG2 THR A 17 7.944 2.624 5.075 1.00 0.00 C ATOM 0 H THR A 17 7.429 4.799 7.046 1.00 0.00 H new ATOM 0 HA THR A 17 5.227 4.759 5.160 1.00 0.00 H new ATOM 0 HB THR A 17 7.054 4.021 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.816 2.444 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.416 2.040 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.655 3.355 5.460 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.635 1.959 5.882 1.00 0.00 H new ATOM 232 N LYS A 18 4.533 2.384 6.239 1.00 0.00 N ATOM 233 CA LYS A 18 3.902 1.430 7.144 1.00 0.00 C ATOM 234 C LYS A 18 4.017 0.009 6.603 1.00 0.00 C ATOM 235 O LYS A 18 4.311 -0.195 5.425 1.00 0.00 O ATOM 236 CB LYS A 18 2.429 1.790 7.351 1.00 0.00 C ATOM 237 CG LYS A 18 1.563 1.534 6.130 1.00 0.00 C ATOM 238 CD LYS A 18 1.033 0.110 6.111 1.00 0.00 C ATOM 239 CE LYS A 18 -0.311 0.006 6.816 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.197 0.293 8.273 1.00 0.00 N ATOM 0 H LYS A 18 4.205 2.330 5.275 1.00 0.00 H new ATOM 0 HA LYS A 18 4.420 1.479 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.038 1.215 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.356 2.843 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.728 2.234 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.143 1.719 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.931 -0.228 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.751 -0.553 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.014 0.704 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.719 -0.995 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.072 0.002 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.607 -0.234 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.047 1.312 8.415 1.00 0.00 H new ATOM 254 N GLU A 19 3.783 -0.971 7.471 1.00 0.00 N ATOM 255 CA GLU A 19 3.861 -2.373 7.078 1.00 0.00 C ATOM 256 C GLU A 19 2.468 -2.951 6.848 1.00 0.00 C ATOM 257 O GLU A 19 1.549 -2.716 7.632 1.00 0.00 O ATOM 258 CB GLU A 19 4.592 -3.186 8.149 1.00 0.00 C ATOM 259 CG GLU A 19 3.878 -3.206 9.491 1.00 0.00 C ATOM 260 CD GLU A 19 4.130 -1.951 10.304 1.00 0.00 C ATOM 261 OE1 GLU A 19 4.815 -1.040 9.793 1.00 0.00 O ATOM 262 OE2 GLU A 19 3.643 -1.880 11.452 1.00 0.00 O ATOM 0 H GLU A 19 3.538 -0.820 8.450 1.00 0.00 H new ATOM 0 HA GLU A 19 4.419 -2.432 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.713 -4.210 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.592 -2.775 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.806 -3.319 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.207 -4.075 10.060 1.00 0.00 H new ATOM 269 N ALA A 20 2.319 -3.709 5.766 1.00 0.00 N ATOM 270 CA ALA A 20 1.040 -4.322 5.433 1.00 0.00 C ATOM 271 C ALA A 20 1.239 -5.672 4.751 1.00 0.00 C ATOM 272 O ALA A 20 2.351 -6.019 4.354 1.00 0.00 O ATOM 273 CB ALA A 20 0.226 -3.394 4.542 1.00 0.00 C ATOM 0 H ALA A 20 3.069 -3.913 5.105 1.00 0.00 H new ATOM 0 HA ALA A 20 0.493 -4.490 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.727 -3.865 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.045 -2.454 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.777 -3.198 3.622 1.00 0.00 H new ATOM 279 N SER A 21 0.155 -6.429 4.620 1.00 0.00 N ATOM 280 CA SER A 21 0.212 -7.743 3.991 1.00 0.00 C ATOM 281 C SER A 21 -0.058 -7.640 2.493 1.00 0.00 C ATOM 282 O SER A 21 -0.418 -6.577 1.988 1.00 0.00 O ATOM 283 CB SER A 21 -0.803 -8.687 4.640 1.00 0.00 C ATOM 284 OG SER A 21 -2.131 -8.271 4.371 1.00 0.00 O ATOM 0 H SER A 21 -0.774 -6.155 4.941 1.00 0.00 H new ATOM 0 HA SER A 21 1.215 -8.145 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.653 -9.700 4.266 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.639 -8.717 5.717 1.00 0.00 H new ATOM 0 HG SER A 21 -2.760 -8.891 4.795 1.00 0.00 H new ATOM 290 N GLU A 22 0.119 -8.754 1.788 1.00 0.00 N ATOM 291 CA GLU A 22 -0.105 -8.789 0.348 1.00 0.00 C ATOM 292 C GLU A 22 -1.537 -8.387 0.009 1.00 0.00 C ATOM 293 O GLU A 22 -2.474 -8.718 0.735 1.00 0.00 O ATOM 294 CB GLU A 22 0.189 -10.186 -0.202 1.00 0.00 C ATOM 295 CG GLU A 22 1.656 -10.420 -0.519 1.00 0.00 C ATOM 296 CD GLU A 22 1.906 -11.770 -1.164 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.160 -12.126 -2.100 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.846 -12.469 -0.733 1.00 0.00 O ATOM 0 H GLU A 22 0.416 -9.643 2.191 1.00 0.00 H new ATOM 0 HA GLU A 22 0.573 -8.073 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.140 -10.930 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.399 -10.342 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.010 -9.633 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.238 -10.347 0.399 1.00 0.00 H new ATOM 305 N GLY A 23 -1.699 -7.670 -1.099 1.00 0.00 N ATOM 306 CA GLY A 23 -3.019 -7.234 -1.514 1.00 0.00 C ATOM 307 C GLY A 23 -3.467 -5.977 -0.795 1.00 0.00 C ATOM 308 O GLY A 23 -4.233 -5.182 -1.340 1.00 0.00 O ATOM 0 H GLY A 23 -0.939 -7.383 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.017 -7.053 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.738 -8.032 -1.326 1.00 0.00 H new ATOM 312 N ALA A 24 -2.990 -5.797 0.432 1.00 0.00 N ATOM 313 CA ALA A 24 -3.347 -4.628 1.226 1.00 0.00 C ATOM 314 C ALA A 24 -2.842 -3.346 0.573 1.00 0.00 C ATOM 315 O ALA A 24 -2.305 -3.371 -0.535 1.00 0.00 O ATOM 316 CB ALA A 24 -2.790 -4.758 2.636 1.00 0.00 C ATOM 0 H ALA A 24 -2.355 -6.446 0.898 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.434 -4.574 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.064 -3.878 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.202 -5.649 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.704 -4.840 2.592 1.00 0.00 H new ATOM 322 N THR A 25 -3.018 -2.225 1.265 1.00 0.00 N ATOM 323 CA THR A 25 -2.582 -0.932 0.752 1.00 0.00 C ATOM 324 C THR A 25 -1.774 -0.170 1.796 1.00 0.00 C ATOM 325 O THR A 25 -2.252 0.082 2.901 1.00 0.00 O ATOM 326 CB THR A 25 -3.780 -0.068 0.315 1.00 0.00 C ATOM 327 OG1 THR A 25 -4.583 -0.785 -0.630 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.308 1.239 -0.302 1.00 0.00 C ATOM 0 H THR A 25 -3.460 -2.186 2.183 1.00 0.00 H new ATOM 0 HA THR A 25 -1.953 -1.132 -0.115 1.00 0.00 H new ATOM 0 HB THR A 25 -4.376 0.160 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.916 -0.166 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.172 1.832 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.722 1.796 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.691 1.027 -1.175 1.00 0.00 H new ATOM 336 N ALA A 26 -0.548 0.195 1.437 1.00 0.00 N ATOM 337 CA ALA A 26 0.326 0.932 2.342 1.00 0.00 C ATOM 338 C ALA A 26 -0.114 2.386 2.467 1.00 0.00 C ATOM 339 O ALA A 26 -1.100 2.803 1.857 1.00 0.00 O ATOM 340 CB ALA A 26 1.768 0.853 1.864 1.00 0.00 C ATOM 0 H ALA A 26 -0.137 -0.008 0.526 1.00 0.00 H new ATOM 0 HA ALA A 26 0.257 0.473 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.409 1.408 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.085 -0.190 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.845 1.284 0.866 1.00 0.00 H new ATOM 346 N THR A 27 0.623 3.157 3.261 1.00 0.00 N ATOM 347 CA THR A 27 0.308 4.565 3.467 1.00 0.00 C ATOM 348 C THR A 27 1.506 5.319 4.031 1.00 0.00 C ATOM 349 O THR A 27 1.836 5.190 5.211 1.00 0.00 O ATOM 350 CB THR A 27 -0.889 4.739 4.422 1.00 0.00 C ATOM 351 OG1 THR A 27 -2.024 4.025 3.919 1.00 0.00 O ATOM 352 CG2 THR A 27 -1.240 6.210 4.586 1.00 0.00 C ATOM 0 H THR A 27 1.443 2.829 3.772 1.00 0.00 H new ATOM 0 HA THR A 27 0.049 4.977 2.492 1.00 0.00 H new ATOM 0 HB THR A 27 -0.611 4.338 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.901 3.846 2.963 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.088 6.308 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.383 6.745 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.501 6.632 3.616 1.00 0.00 H new ATOM 360 N LEU A 28 2.155 6.108 3.181 1.00 0.00 N ATOM 361 CA LEU A 28 3.318 6.885 3.595 1.00 0.00 C ATOM 362 C LEU A 28 2.943 8.346 3.825 1.00 0.00 C ATOM 363 O LEU A 28 2.086 8.892 3.132 1.00 0.00 O ATOM 364 CB LEU A 28 4.421 6.790 2.540 1.00 0.00 C ATOM 365 CG LEU A 28 4.902 5.380 2.196 1.00 0.00 C ATOM 366 CD1 LEU A 28 4.112 4.817 1.025 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.391 5.385 1.884 1.00 0.00 C ATOM 0 H LEU A 28 1.896 6.226 2.202 1.00 0.00 H new ATOM 0 HA LEU A 28 3.685 6.471 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.063 7.263 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.277 7.370 2.885 1.00 0.00 H new ATOM 0 HG LEU A 28 4.735 4.739 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.468 3.813 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.054 4.776 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.246 5.458 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.715 4.373 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.583 6.041 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.943 5.745 2.752 1.00 0.00 H new ATOM 379 N GLN A 29 3.593 8.972 4.800 1.00 0.00 N ATOM 380 CA GLN A 29 3.329 10.370 5.120 1.00 0.00 C ATOM 381 C GLN A 29 4.630 11.133 5.343 1.00 0.00 C ATOM 382 O GLN A 29 5.513 10.676 6.069 1.00 0.00 O ATOM 383 CB GLN A 29 2.444 10.472 6.364 1.00 0.00 C ATOM 384 CG GLN A 29 0.993 10.096 6.111 1.00 0.00 C ATOM 385 CD GLN A 29 0.157 10.112 7.376 1.00 0.00 C ATOM 386 OE1 GLN A 29 0.366 10.943 8.261 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.795 9.192 7.468 1.00 0.00 N ATOM 0 H GLN A 29 4.306 8.534 5.382 1.00 0.00 H new ATOM 0 HA GLN A 29 2.808 10.818 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.848 9.824 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.485 11.492 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.563 10.788 5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.952 9.102 5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.933 8.523 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.389 9.154 8.296 1.00 0.00 H new ATOM 396 N CYS A 30 4.742 12.298 4.713 1.00 0.00 N ATOM 397 CA CYS A 30 5.937 13.124 4.842 1.00 0.00 C ATOM 398 C CYS A 30 5.572 14.604 4.887 1.00 0.00 C ATOM 399 O CYS A 30 4.437 14.982 4.599 1.00 0.00 O ATOM 400 CB CYS A 30 6.894 12.858 3.679 1.00 0.00 C ATOM 401 SG CYS A 30 6.205 13.244 2.053 1.00 0.00 S ATOM 0 H CYS A 30 4.020 12.691 4.109 1.00 0.00 H new ATOM 0 HA CYS A 30 6.431 12.861 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.800 13.446 3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.188 11.809 3.697 1.00 0.00 H new ATOM 0 HG CYS A 30 7.089 12.988 1.135 1.00 0.00 H new ATOM 407 N GLU A 31 6.541 15.437 5.253 1.00 0.00 N ATOM 408 CA GLU A 31 6.320 16.876 5.338 1.00 0.00 C ATOM 409 C GLU A 31 7.271 17.629 4.413 1.00 0.00 C ATOM 410 O GLU A 31 8.282 17.084 3.965 1.00 0.00 O ATOM 411 CB GLU A 31 6.504 17.358 6.779 1.00 0.00 C ATOM 412 CG GLU A 31 5.650 18.564 7.131 1.00 0.00 C ATOM 413 CD GLU A 31 5.746 18.939 8.597 1.00 0.00 C ATOM 414 OE1 GLU A 31 6.692 19.670 8.960 1.00 0.00 O ATOM 415 OE2 GLU A 31 4.877 18.503 9.380 1.00 0.00 O ATOM 0 H GLU A 31 7.486 15.140 5.495 1.00 0.00 H new ATOM 0 HA GLU A 31 5.297 17.080 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.263 16.542 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.553 17.607 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.959 19.413 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.610 18.354 6.881 1.00 0.00 H new ATOM 422 N LEU A 32 6.942 18.884 4.129 1.00 0.00 N ATOM 423 CA LEU A 32 7.766 19.713 3.256 1.00 0.00 C ATOM 424 C LEU A 32 7.925 21.117 3.831 1.00 0.00 C ATOM 425 O LEU A 32 7.192 21.515 4.736 1.00 0.00 O ATOM 426 CB LEU A 32 7.148 19.788 1.859 1.00 0.00 C ATOM 427 CG LEU A 32 7.033 18.464 1.104 1.00 0.00 C ATOM 428 CD1 LEU A 32 5.911 18.529 0.079 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.353 18.117 0.431 1.00 0.00 C ATOM 0 H LEU A 32 6.110 19.350 4.491 1.00 0.00 H new ATOM 0 HA LEU A 32 8.753 19.255 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.151 20.221 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.742 20.476 1.257 1.00 0.00 H new ATOM 0 HG LEU A 32 6.796 17.678 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.844 17.577 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.967 18.730 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.117 19.326 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.252 17.171 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.620 18.904 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.134 18.027 1.186 1.00 0.00 H new ATOM 441 N SER A 33 8.886 21.864 3.296 1.00 0.00 N ATOM 442 CA SER A 33 9.143 23.224 3.756 1.00 0.00 C ATOM 443 C SER A 33 7.966 24.139 3.430 1.00 0.00 C ATOM 444 O SER A 33 7.676 25.083 4.165 1.00 0.00 O ATOM 445 CB SER A 33 10.420 23.769 3.116 1.00 0.00 C ATOM 446 OG SER A 33 10.829 24.974 3.739 1.00 0.00 O ATOM 0 H SER A 33 9.499 21.550 2.544 1.00 0.00 H new ATOM 0 HA SER A 33 9.271 23.197 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.215 23.027 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.252 23.944 2.053 1.00 0.00 H new ATOM 0 HG SER A 33 11.648 25.301 3.312 1.00 0.00 H new ATOM 452 N LYS A 34 7.292 23.853 2.321 1.00 0.00 N ATOM 453 CA LYS A 34 6.146 24.647 1.895 1.00 0.00 C ATOM 454 C LYS A 34 5.334 23.907 0.837 1.00 0.00 C ATOM 455 O LYS A 34 5.882 23.145 0.041 1.00 0.00 O ATOM 456 CB LYS A 34 6.612 25.997 1.344 1.00 0.00 C ATOM 457 CG LYS A 34 7.484 25.881 0.106 1.00 0.00 C ATOM 458 CD LYS A 34 7.328 27.089 -0.802 1.00 0.00 C ATOM 459 CE LYS A 34 8.031 26.880 -2.134 1.00 0.00 C ATOM 460 NZ LYS A 34 9.491 27.160 -2.041 1.00 0.00 N ATOM 0 H LYS A 34 7.520 23.076 1.701 1.00 0.00 H new ATOM 0 HA LYS A 34 5.509 24.816 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.738 26.604 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.166 26.525 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.528 25.781 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.220 24.976 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.269 27.281 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.736 27.971 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.879 25.854 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.584 27.530 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.881 27.290 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.644 28.025 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.969 26.361 -1.578 1.00 0.00 H new ATOM 474 N VAL A 35 4.025 24.138 0.833 1.00 0.00 N ATOM 475 CA VAL A 35 3.138 23.496 -0.129 1.00 0.00 C ATOM 476 C VAL A 35 3.749 23.497 -1.526 1.00 0.00 C ATOM 477 O VAL A 35 3.928 24.552 -2.135 1.00 0.00 O ATOM 478 CB VAL A 35 1.766 24.193 -0.180 1.00 0.00 C ATOM 479 CG1 VAL A 35 0.845 23.490 -1.166 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.140 24.239 1.206 1.00 0.00 C ATOM 0 H VAL A 35 3.555 24.765 1.486 1.00 0.00 H new ATOM 0 HA VAL A 35 3.002 22.467 0.204 1.00 0.00 H new ATOM 0 HB VAL A 35 1.912 25.217 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.120 23.997 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.290 23.514 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.703 22.454 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.171 24.735 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.007 23.224 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.793 24.792 1.882 1.00 0.00 H new ATOM 490 N ALA A 36 4.066 22.309 -2.028 1.00 0.00 N ATOM 491 CA ALA A 36 4.655 22.173 -3.355 1.00 0.00 C ATOM 492 C ALA A 36 4.367 20.796 -3.944 1.00 0.00 C ATOM 493 O ALA A 36 4.189 19.812 -3.227 1.00 0.00 O ATOM 494 CB ALA A 36 6.155 22.420 -3.295 1.00 0.00 C ATOM 0 H ALA A 36 3.925 21.426 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 36 4.201 22.921 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.581 22.315 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.343 23.427 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.617 21.695 -2.625 1.00 0.00 H new ATOM 500 N PRO A 37 4.319 20.723 -5.283 1.00 0.00 N ATOM 501 CA PRO A 37 4.052 19.472 -5.998 1.00 0.00 C ATOM 502 C PRO A 37 5.208 18.484 -5.888 1.00 0.00 C ATOM 503 O PRO A 37 6.359 18.826 -6.162 1.00 0.00 O ATOM 504 CB PRO A 37 3.871 19.924 -7.449 1.00 0.00 C ATOM 505 CG PRO A 37 4.638 21.198 -7.547 1.00 0.00 C ATOM 506 CD PRO A 37 4.521 21.857 -6.201 1.00 0.00 C ATOM 0 HA PRO A 37 3.189 18.946 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.252 19.178 -8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.818 20.076 -7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.681 21.007 -7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.233 21.838 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.419 22.422 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.685 22.556 -6.167 1.00 0.00 H new ATOM 514 N VAL A 38 4.895 17.256 -5.487 1.00 0.00 N ATOM 515 CA VAL A 38 5.909 16.217 -5.343 1.00 0.00 C ATOM 516 C VAL A 38 5.685 15.089 -6.344 1.00 0.00 C ATOM 517 O VAL A 38 4.701 15.087 -7.082 1.00 0.00 O ATOM 518 CB VAL A 38 5.913 15.632 -3.918 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.015 16.743 -2.885 1.00 0.00 C ATOM 520 CG2 VAL A 38 4.669 14.788 -3.686 1.00 0.00 C ATOM 0 H VAL A 38 3.948 16.956 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 38 6.874 16.685 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 38 6.786 14.988 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.016 16.311 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.938 17.301 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.163 17.415 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.688 14.382 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.781 15.407 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.646 13.969 -4.405 1.00 0.00 H new ATOM 530 N GLU A 39 6.606 14.130 -6.361 1.00 0.00 N ATOM 531 CA GLU A 39 6.509 12.996 -7.272 1.00 0.00 C ATOM 532 C GLU A 39 7.208 11.770 -6.691 1.00 0.00 C ATOM 533 O GLU A 39 8.419 11.777 -6.475 1.00 0.00 O ATOM 534 CB GLU A 39 7.121 13.349 -8.629 1.00 0.00 C ATOM 535 CG GLU A 39 7.081 12.207 -9.631 1.00 0.00 C ATOM 536 CD GLU A 39 7.426 12.654 -11.039 1.00 0.00 C ATOM 537 OE1 GLU A 39 8.630 12.783 -11.342 1.00 0.00 O ATOM 538 OE2 GLU A 39 6.491 12.873 -11.837 1.00 0.00 O ATOM 0 H GLU A 39 7.426 14.116 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 39 5.453 12.762 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.591 14.205 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.156 13.656 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.779 11.430 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.086 11.761 -9.629 1.00 0.00 H new ATOM 545 N TRP A 40 6.434 10.720 -6.440 1.00 0.00 N ATOM 546 CA TRP A 40 6.978 9.486 -5.883 1.00 0.00 C ATOM 547 C TRP A 40 7.620 8.633 -6.972 1.00 0.00 C ATOM 548 O TRP A 40 7.255 8.727 -8.144 1.00 0.00 O ATOM 549 CB TRP A 40 5.878 8.692 -5.178 1.00 0.00 C ATOM 550 CG TRP A 40 5.116 9.498 -4.170 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.254 10.527 -4.426 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.149 9.344 -2.747 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.750 11.021 -3.247 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.282 10.312 -2.203 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.824 8.481 -1.880 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.076 10.439 -0.832 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.619 8.609 -0.520 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.751 9.581 -0.006 1.00 0.00 C ATOM 0 H TRP A 40 5.429 10.698 -6.613 1.00 0.00 H new ATOM 0 HA TRP A 40 7.746 9.752 -5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.183 8.306 -5.924 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.324 7.830 -4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.006 10.897 -5.410 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.087 11.791 -3.163 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.494 7.727 -2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.407 11.188 -0.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.137 7.948 0.159 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.612 9.655 1.062 1.00 0.00 H new ATOM 569 N LYS A 41 8.577 7.801 -6.579 1.00 0.00 N ATOM 570 CA LYS A 41 9.269 6.929 -7.521 1.00 0.00 C ATOM 571 C LYS A 41 9.611 5.591 -6.874 1.00 0.00 C ATOM 572 O LYS A 41 9.962 5.530 -5.696 1.00 0.00 O ATOM 573 CB LYS A 41 10.546 7.603 -8.027 1.00 0.00 C ATOM 574 CG LYS A 41 10.344 8.416 -9.295 1.00 0.00 C ATOM 575 CD LYS A 41 11.582 8.394 -10.175 1.00 0.00 C ATOM 576 CE LYS A 41 11.384 9.220 -11.437 1.00 0.00 C ATOM 577 NZ LYS A 41 12.678 9.704 -11.992 1.00 0.00 N ATOM 0 H LYS A 41 8.892 7.712 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 41 8.603 6.745 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.937 8.255 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.301 6.839 -8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.494 8.020 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.101 9.446 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.434 8.781 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.819 7.365 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.869 8.619 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.742 10.073 -11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.720 10.741 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.464 9.289 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.755 9.421 -12.990 1.00 0.00 H new ATOM 591 N LYS A 42 9.507 4.519 -7.653 1.00 0.00 N ATOM 592 CA LYS A 42 9.807 3.181 -7.158 1.00 0.00 C ATOM 593 C LYS A 42 11.037 2.607 -7.853 1.00 0.00 C ATOM 594 O LYS A 42 11.206 1.391 -7.933 1.00 0.00 O ATOM 595 CB LYS A 42 8.608 2.255 -7.372 1.00 0.00 C ATOM 596 CG LYS A 42 8.737 0.918 -6.661 1.00 0.00 C ATOM 597 CD LYS A 42 7.409 0.180 -6.616 1.00 0.00 C ATOM 598 CE LYS A 42 7.609 -1.316 -6.429 1.00 0.00 C ATOM 599 NZ LYS A 42 8.550 -1.880 -7.436 1.00 0.00 N ATOM 0 H LYS A 42 9.217 4.551 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 42 10.016 3.254 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.705 2.757 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.482 2.078 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.479 0.304 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.100 1.078 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.801 0.572 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.859 0.362 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.991 -1.509 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.647 -1.823 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.185 -2.791 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.642 -1.219 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.482 -2.024 -6.998 1.00 0.00 H new ATOM 613 N GLY A 43 11.895 3.490 -8.355 1.00 0.00 N ATOM 614 CA GLY A 43 13.099 3.052 -9.036 1.00 0.00 C ATOM 615 C GLY A 43 13.414 3.893 -10.257 1.00 0.00 C ATOM 616 O GLY A 43 13.193 5.104 -10.276 1.00 0.00 O ATOM 0 H GLY A 43 11.777 4.502 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.940 3.094 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.984 2.010 -9.336 1.00 0.00 H new ATOM 620 N PRO A 44 13.944 3.246 -11.305 1.00 0.00 N ATOM 621 CA PRO A 44 14.302 3.924 -12.555 1.00 0.00 C ATOM 622 C PRO A 44 13.077 4.387 -13.335 1.00 0.00 C ATOM 623 O PRO A 44 13.196 4.901 -14.447 1.00 0.00 O ATOM 624 CB PRO A 44 15.060 2.848 -13.337 1.00 0.00 C ATOM 625 CG PRO A 44 14.543 1.557 -12.803 1.00 0.00 C ATOM 626 CD PRO A 44 14.234 1.803 -11.352 1.00 0.00 C ATOM 0 HA PRO A 44 14.883 4.829 -12.376 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.878 2.935 -14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.136 2.935 -13.189 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.651 1.240 -13.344 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.282 0.764 -12.916 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.383 1.211 -11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.076 1.541 -10.712 1.00 0.00 H new ATOM 634 N GLU A 45 11.900 4.202 -12.745 1.00 0.00 N ATOM 635 CA GLU A 45 10.653 4.601 -13.387 1.00 0.00 C ATOM 636 C GLU A 45 9.971 5.719 -12.603 1.00 0.00 C ATOM 637 O GLU A 45 10.389 6.062 -11.496 1.00 0.00 O ATOM 638 CB GLU A 45 9.711 3.402 -13.510 1.00 0.00 C ATOM 639 CG GLU A 45 9.972 2.547 -14.739 1.00 0.00 C ATOM 640 CD GLU A 45 9.835 3.327 -16.032 1.00 0.00 C ATOM 641 OE1 GLU A 45 8.686 3.589 -16.448 1.00 0.00 O ATOM 642 OE2 GLU A 45 10.875 3.675 -16.629 1.00 0.00 O ATOM 0 H GLU A 45 11.784 3.779 -11.824 1.00 0.00 H new ATOM 0 HA GLU A 45 10.890 4.972 -14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.808 2.782 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.682 3.760 -13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.976 2.126 -14.678 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.275 1.709 -14.749 1.00 0.00 H new ATOM 649 N THR A 46 8.919 6.285 -13.185 1.00 0.00 N ATOM 650 CA THR A 46 8.179 7.365 -12.544 1.00 0.00 C ATOM 651 C THR A 46 6.744 6.947 -12.246 1.00 0.00 C ATOM 652 O THR A 46 6.152 6.155 -12.981 1.00 0.00 O ATOM 653 CB THR A 46 8.163 8.631 -13.420 1.00 0.00 C ATOM 654 OG1 THR A 46 9.442 8.818 -14.036 1.00 0.00 O ATOM 655 CG2 THR A 46 7.810 9.858 -12.591 1.00 0.00 C ATOM 0 H THR A 46 8.560 6.013 -14.100 1.00 0.00 H new ATOM 0 HA THR A 46 8.691 7.587 -11.608 1.00 0.00 H new ATOM 0 HB THR A 46 7.404 8.502 -14.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.422 9.624 -14.593 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.805 10.740 -13.231 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.823 9.726 -12.147 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.549 9.988 -11.800 1.00 0.00 H new ATOM 663 N LEU A 47 6.188 7.484 -11.166 1.00 0.00 N ATOM 664 CA LEU A 47 4.820 7.168 -10.771 1.00 0.00 C ATOM 665 C LEU A 47 3.933 8.407 -10.838 1.00 0.00 C ATOM 666 O LEU A 47 4.424 9.536 -10.808 1.00 0.00 O ATOM 667 CB LEU A 47 4.797 6.586 -9.357 1.00 0.00 C ATOM 668 CG LEU A 47 5.577 5.287 -9.153 1.00 0.00 C ATOM 669 CD1 LEU A 47 6.078 5.184 -7.721 1.00 0.00 C ATOM 670 CD2 LEU A 47 4.713 4.085 -9.505 1.00 0.00 C ATOM 0 H LEU A 47 6.664 8.141 -10.548 1.00 0.00 H new ATOM 0 HA LEU A 47 4.430 6.427 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.192 7.335 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.759 6.411 -9.075 1.00 0.00 H new ATOM 0 HG LEU A 47 6.440 5.296 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.631 4.253 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.733 6.027 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.230 5.198 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.285 3.169 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.830 4.072 -8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.404 4.152 -10.548 1.00 0.00 H new ATOM 682 N ARG A 48 2.625 8.189 -10.926 1.00 0.00 N ATOM 683 CA ARG A 48 1.670 9.289 -10.996 1.00 0.00 C ATOM 684 C ARG A 48 0.371 8.926 -10.283 1.00 0.00 C ATOM 685 O ARG A 48 -0.105 7.794 -10.375 1.00 0.00 O ATOM 686 CB ARG A 48 1.381 9.650 -12.454 1.00 0.00 C ATOM 687 CG ARG A 48 2.620 10.040 -13.242 1.00 0.00 C ATOM 688 CD ARG A 48 2.911 11.528 -13.123 1.00 0.00 C ATOM 689 NE ARG A 48 3.358 11.892 -11.781 1.00 0.00 N ATOM 690 CZ ARG A 48 3.267 13.120 -11.284 1.00 0.00 C ATOM 691 NH1 ARG A 48 2.749 14.098 -12.015 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.695 13.373 -10.054 1.00 0.00 N ATOM 0 H ARG A 48 2.202 7.261 -10.951 1.00 0.00 H new ATOM 0 HA ARG A 48 2.110 10.152 -10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.903 8.800 -12.942 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.669 10.475 -12.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.476 9.471 -12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.483 9.778 -14.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.676 11.807 -13.848 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.014 12.094 -13.372 1.00 0.00 H new ATOM 0 HE ARG A 48 3.762 11.163 -11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.419 13.908 -12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.680 15.040 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.095 12.624 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.625 14.317 -9.674 1.00 0.00 H new ATOM 706 N ASP A 49 -0.197 9.894 -9.572 1.00 0.00 N ATOM 707 CA ASP A 49 -1.442 9.677 -8.843 1.00 0.00 C ATOM 708 C ASP A 49 -2.532 9.154 -9.773 1.00 0.00 C ATOM 709 O ASP A 49 -2.703 9.649 -10.886 1.00 0.00 O ATOM 710 CB ASP A 49 -1.901 10.976 -8.179 1.00 0.00 C ATOM 711 CG ASP A 49 -3.405 11.030 -7.992 1.00 0.00 C ATOM 712 OD1 ASP A 49 -3.956 10.115 -7.344 1.00 0.00 O ATOM 713 OD2 ASP A 49 -4.030 11.988 -8.492 1.00 0.00 O ATOM 0 H ASP A 49 0.184 10.836 -9.485 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.258 8.929 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.413 11.077 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.582 11.823 -8.786 1.00 0.00 H new ATOM 718 N GLY A 50 -3.266 8.147 -9.309 1.00 0.00 N ATOM 719 CA GLY A 50 -4.329 7.572 -10.112 1.00 0.00 C ATOM 720 C GLY A 50 -4.071 6.120 -10.461 1.00 0.00 C ATOM 721 O GLY A 50 -3.089 5.800 -11.129 1.00 0.00 O ATOM 0 H GLY A 50 -3.143 7.719 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.272 7.650 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.439 8.149 -11.030 1.00 0.00 H new ATOM 725 N GLY A 51 -4.956 5.237 -10.007 1.00 0.00 N ATOM 726 CA GLY A 51 -4.801 3.821 -10.285 1.00 0.00 C ATOM 727 C GLY A 51 -4.224 3.060 -9.108 1.00 0.00 C ATOM 728 O GLY A 51 -4.700 3.193 -7.980 1.00 0.00 O ATOM 0 H GLY A 51 -5.777 5.477 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.770 3.397 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.151 3.693 -11.151 1.00 0.00 H new ATOM 732 N ARG A 52 -3.197 2.258 -9.369 1.00 0.00 N ATOM 733 CA ARG A 52 -2.556 1.470 -8.323 1.00 0.00 C ATOM 734 C ARG A 52 -1.964 2.375 -7.247 1.00 0.00 C ATOM 735 O ARG A 52 -1.966 2.033 -6.064 1.00 0.00 O ATOM 736 CB ARG A 52 -1.461 0.585 -8.920 1.00 0.00 C ATOM 737 CG ARG A 52 -1.248 -0.715 -8.162 1.00 0.00 C ATOM 738 CD ARG A 52 -0.382 -1.685 -8.951 1.00 0.00 C ATOM 739 NE ARG A 52 -1.057 -2.167 -10.154 1.00 0.00 N ATOM 740 CZ ARG A 52 -0.664 -3.236 -10.838 1.00 0.00 C ATOM 741 NH1 ARG A 52 0.393 -3.930 -10.440 1.00 0.00 N ATOM 742 NH2 ARG A 52 -1.330 -3.612 -11.922 1.00 0.00 N ATOM 0 H ARG A 52 -2.791 2.137 -10.297 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.315 0.836 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.715 0.355 -9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.525 1.143 -8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.778 -0.504 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.213 -1.176 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.550 -1.194 -9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.119 -2.533 -8.319 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.874 -1.655 -10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.907 -3.644 -9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.692 -4.750 -10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.144 -3.080 -12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.028 -4.433 -12.447 1.00 0.00 H new ATOM 756 N TYR A 53 -1.457 3.530 -7.665 1.00 0.00 N ATOM 757 CA TYR A 53 -0.859 4.482 -6.737 1.00 0.00 C ATOM 758 C TYR A 53 -1.765 5.694 -6.541 1.00 0.00 C ATOM 759 O TYR A 53 -2.067 6.417 -7.491 1.00 0.00 O ATOM 760 CB TYR A 53 0.510 4.933 -7.249 1.00 0.00 C ATOM 761 CG TYR A 53 1.476 3.792 -7.478 1.00 0.00 C ATOM 762 CD1 TYR A 53 2.097 3.157 -6.410 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.769 3.351 -8.762 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.981 2.115 -6.614 1.00 0.00 C ATOM 765 CE2 TYR A 53 2.650 2.308 -8.976 1.00 0.00 C ATOM 766 CZ TYR A 53 3.253 1.694 -7.899 1.00 0.00 C ATOM 767 OH TYR A 53 4.133 0.656 -8.108 1.00 0.00 O ATOM 0 H TYR A 53 -1.448 3.829 -8.640 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.735 3.984 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.378 5.479 -8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.946 5.629 -6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.885 3.484 -5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.300 3.832 -9.608 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.456 1.633 -5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.865 1.976 -9.981 1.00 0.00 H new ATOM 0 HH TYR A 53 4.213 0.483 -9.069 1.00 0.00 H new ATOM 777 N SER A 54 -2.194 5.910 -5.302 1.00 0.00 N ATOM 778 CA SER A 54 -3.067 7.032 -4.980 1.00 0.00 C ATOM 779 C SER A 54 -2.361 8.025 -4.062 1.00 0.00 C ATOM 780 O SER A 54 -2.207 7.782 -2.865 1.00 0.00 O ATOM 781 CB SER A 54 -4.351 6.532 -4.315 1.00 0.00 C ATOM 782 OG SER A 54 -5.356 6.269 -5.280 1.00 0.00 O ATOM 0 H SER A 54 -1.951 5.322 -4.504 1.00 0.00 H new ATOM 0 HA SER A 54 -3.321 7.540 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.141 5.625 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.710 7.277 -3.605 1.00 0.00 H new ATOM 0 HG SER A 54 -6.166 5.949 -4.830 1.00 0.00 H new ATOM 788 N LEU A 55 -1.932 9.146 -4.633 1.00 0.00 N ATOM 789 CA LEU A 55 -1.241 10.178 -3.868 1.00 0.00 C ATOM 790 C LEU A 55 -2.215 11.254 -3.400 1.00 0.00 C ATOM 791 O LEU A 55 -3.228 11.515 -4.050 1.00 0.00 O ATOM 792 CB LEU A 55 -0.132 10.810 -4.711 1.00 0.00 C ATOM 793 CG LEU A 55 0.492 9.912 -5.780 1.00 0.00 C ATOM 794 CD1 LEU A 55 1.574 10.662 -6.542 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.059 8.648 -5.150 1.00 0.00 C ATOM 0 H LEU A 55 -2.051 9.363 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.798 9.708 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.535 11.697 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.659 11.147 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.287 9.624 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.007 10.007 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.139 11.537 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.353 10.980 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.499 8.021 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.825 8.916 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.260 8.100 -4.651 1.00 0.00 H new ATOM 807 N LYS A 56 -1.902 11.878 -2.270 1.00 0.00 N ATOM 808 CA LYS A 56 -2.747 12.929 -1.716 1.00 0.00 C ATOM 809 C LYS A 56 -1.911 14.129 -1.283 1.00 0.00 C ATOM 810 O LYS A 56 -0.938 13.983 -0.543 1.00 0.00 O ATOM 811 CB LYS A 56 -3.547 12.395 -0.525 1.00 0.00 C ATOM 812 CG LYS A 56 -4.891 13.076 -0.340 1.00 0.00 C ATOM 813 CD LYS A 56 -5.626 12.540 0.877 1.00 0.00 C ATOM 814 CE LYS A 56 -5.089 13.148 2.164 1.00 0.00 C ATOM 815 NZ LYS A 56 -5.663 12.489 3.370 1.00 0.00 N ATOM 0 H LYS A 56 -1.068 11.674 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.438 13.252 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.707 11.325 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.958 12.521 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.743 14.151 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.502 12.925 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.690 12.758 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.525 11.455 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.003 13.058 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.321 14.213 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.339 12.986 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.701 12.523 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.350 11.498 3.406 1.00 0.00 H new ATOM 829 N GLN A 57 -2.297 15.313 -1.747 1.00 0.00 N ATOM 830 CA GLN A 57 -1.582 16.537 -1.407 1.00 0.00 C ATOM 831 C GLN A 57 -2.182 17.191 -0.166 1.00 0.00 C ATOM 832 O GLN A 57 -3.371 17.036 0.115 1.00 0.00 O ATOM 833 CB GLN A 57 -1.616 17.516 -2.581 1.00 0.00 C ATOM 834 CG GLN A 57 -0.751 18.749 -2.370 1.00 0.00 C ATOM 835 CD GLN A 57 0.666 18.560 -2.874 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.884 18.237 -4.042 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.639 18.763 -1.994 1.00 0.00 N ATOM 0 H GLN A 57 -3.101 15.450 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.546 16.275 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.286 17.001 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.646 17.830 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.204 19.598 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.725 18.993 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.413 19.030 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.613 18.652 -2.276 1.00 0.00 H new ATOM 846 N ASP A 58 -1.353 17.921 0.571 1.00 0.00 N ATOM 847 CA ASP A 58 -1.803 18.600 1.781 1.00 0.00 C ATOM 848 C ASP A 58 -0.792 19.654 2.220 1.00 0.00 C ATOM 849 O ASP A 58 0.371 19.618 1.820 1.00 0.00 O ATOM 850 CB ASP A 58 -2.024 17.588 2.907 1.00 0.00 C ATOM 851 CG ASP A 58 -2.949 18.115 3.986 1.00 0.00 C ATOM 852 OD1 ASP A 58 -2.483 18.909 4.829 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.138 17.733 3.987 1.00 0.00 O ATOM 0 H ASP A 58 -0.366 18.058 0.352 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.747 19.098 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.441 16.671 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.063 17.328 3.351 1.00 0.00 H new ATOM 858 N GLY A 59 -1.244 20.594 3.045 1.00 0.00 N ATOM 859 CA GLY A 59 -0.367 21.646 3.524 1.00 0.00 C ATOM 860 C GLY A 59 0.983 21.119 3.967 1.00 0.00 C ATOM 861 O GLY A 59 1.116 20.572 5.063 1.00 0.00 O ATOM 0 H GLY A 59 -2.202 20.645 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.224 22.383 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.844 22.161 4.358 1.00 0.00 H new ATOM 865 N THR A 60 1.990 21.280 3.113 1.00 0.00 N ATOM 866 CA THR A 60 3.336 20.813 3.422 1.00 0.00 C ATOM 867 C THR A 60 3.323 19.358 3.876 1.00 0.00 C ATOM 868 O THR A 60 4.101 18.962 4.743 1.00 0.00 O ATOM 869 CB THR A 60 3.992 21.675 4.517 1.00 0.00 C ATOM 870 OG1 THR A 60 3.251 21.564 5.737 1.00 0.00 O ATOM 871 CG2 THR A 60 4.059 23.134 4.090 1.00 0.00 C ATOM 0 H THR A 60 1.898 21.730 2.202 1.00 0.00 H new ATOM 0 HA THR A 60 3.918 20.899 2.505 1.00 0.00 H new ATOM 0 HB THR A 60 5.008 21.312 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.597 20.839 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.526 23.723 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.648 23.219 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.051 23.506 3.908 1.00 0.00 H new ATOM 879 N ARG A 61 2.434 18.566 3.284 1.00 0.00 N ATOM 880 CA ARG A 61 2.320 17.154 3.628 1.00 0.00 C ATOM 881 C ARG A 61 1.774 16.350 2.452 1.00 0.00 C ATOM 882 O ARG A 61 0.982 16.856 1.656 1.00 0.00 O ATOM 883 CB ARG A 61 1.413 16.977 4.847 1.00 0.00 C ATOM 884 CG ARG A 61 2.103 17.273 6.169 1.00 0.00 C ATOM 885 CD ARG A 61 1.127 17.211 7.333 1.00 0.00 C ATOM 886 NE ARG A 61 0.665 15.850 7.589 1.00 0.00 N ATOM 887 CZ ARG A 61 0.080 15.473 8.720 1.00 0.00 C ATOM 888 NH1 ARG A 61 -0.113 16.350 9.695 1.00 0.00 N ATOM 889 NH2 ARG A 61 -0.313 14.215 8.878 1.00 0.00 N ATOM 0 H ARG A 61 1.783 18.879 2.564 1.00 0.00 H new ATOM 0 HA ARG A 61 3.316 16.782 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.548 17.632 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.037 15.954 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.908 16.556 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.560 18.262 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.606 17.605 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.270 17.851 7.122 1.00 0.00 H new ATOM 0 HE ARG A 61 0.799 15.150 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.188 17.317 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.563 16.057 10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.166 13.537 8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.762 13.926 9.747 1.00 0.00 H new ATOM 903 N CYS A 62 2.201 15.097 2.350 1.00 0.00 N ATOM 904 CA CYS A 62 1.755 14.222 1.271 1.00 0.00 C ATOM 905 C CYS A 62 1.437 12.827 1.798 1.00 0.00 C ATOM 906 O CYS A 62 2.059 12.356 2.749 1.00 0.00 O ATOM 907 CB CYS A 62 2.825 14.138 0.181 1.00 0.00 C ATOM 908 SG CYS A 62 3.241 15.729 -0.570 1.00 0.00 S ATOM 0 H CYS A 62 2.856 14.663 3.001 1.00 0.00 H new ATOM 0 HA CYS A 62 0.845 14.645 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.729 13.702 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.481 13.459 -0.599 1.00 0.00 H new ATOM 0 HG CYS A 62 2.148 16.367 -0.869 1.00 0.00 H new ATOM 914 N GLU A 63 0.463 12.172 1.174 1.00 0.00 N ATOM 915 CA GLU A 63 0.061 10.832 1.582 1.00 0.00 C ATOM 916 C GLU A 63 -0.025 9.899 0.378 1.00 0.00 C ATOM 917 O GLU A 63 -0.908 10.040 -0.470 1.00 0.00 O ATOM 918 CB GLU A 63 -1.288 10.877 2.303 1.00 0.00 C ATOM 919 CG GLU A 63 -1.808 9.508 2.709 1.00 0.00 C ATOM 920 CD GLU A 63 -3.181 9.572 3.349 1.00 0.00 C ATOM 921 OE1 GLU A 63 -4.183 9.588 2.604 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.253 9.604 4.595 1.00 0.00 O ATOM 0 H GLU A 63 -0.062 12.548 0.384 1.00 0.00 H new ATOM 0 HA GLU A 63 0.818 10.446 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.194 11.499 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.021 11.357 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.850 8.864 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.107 9.049 3.407 1.00 0.00 H new ATOM 929 N LEU A 64 0.897 8.946 0.308 1.00 0.00 N ATOM 930 CA LEU A 64 0.927 7.989 -0.793 1.00 0.00 C ATOM 931 C LEU A 64 0.187 6.708 -0.421 1.00 0.00 C ATOM 932 O LEU A 64 0.261 6.246 0.717 1.00 0.00 O ATOM 933 CB LEU A 64 2.373 7.663 -1.173 1.00 0.00 C ATOM 934 CG LEU A 64 2.605 6.300 -1.825 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.872 6.213 -3.155 1.00 0.00 C ATOM 936 CD2 LEU A 64 4.093 6.047 -2.017 1.00 0.00 C ATOM 0 H LEU A 64 1.634 8.815 1.001 1.00 0.00 H new ATOM 0 HA LEU A 64 0.426 8.442 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.731 8.435 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.986 7.722 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 64 2.208 5.530 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.049 5.236 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.803 6.349 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.238 6.992 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.239 5.072 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.514 6.822 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.593 6.066 -1.049 1.00 0.00 H new ATOM 948 N GLN A 65 -0.524 6.140 -1.390 1.00 0.00 N ATOM 949 CA GLN A 65 -1.277 4.912 -1.164 1.00 0.00 C ATOM 950 C GLN A 65 -0.976 3.882 -2.248 1.00 0.00 C ATOM 951 O GLN A 65 -1.343 4.064 -3.410 1.00 0.00 O ATOM 952 CB GLN A 65 -2.777 5.207 -1.127 1.00 0.00 C ATOM 953 CG GLN A 65 -3.293 5.561 0.258 1.00 0.00 C ATOM 954 CD GLN A 65 -4.782 5.314 0.408 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.603 6.139 0.007 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.137 4.173 0.987 1.00 0.00 N ATOM 0 H GLN A 65 -0.594 6.510 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.972 4.501 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.994 6.030 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.319 4.337 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.755 4.975 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.080 6.610 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.422 3.518 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.124 3.951 1.114 1.00 0.00 H new ATOM 965 N ILE A 66 -0.307 2.801 -1.862 1.00 0.00 N ATOM 966 CA ILE A 66 0.042 1.743 -2.801 1.00 0.00 C ATOM 967 C ILE A 66 -1.006 0.635 -2.795 1.00 0.00 C ATOM 968 O ILE A 66 -0.958 -0.275 -1.967 1.00 0.00 O ATOM 969 CB ILE A 66 1.419 1.133 -2.477 1.00 0.00 C ATOM 970 CG1 ILE A 66 2.479 2.233 -2.385 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.804 0.105 -3.530 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.679 1.847 -1.550 1.00 0.00 C ATOM 0 H ILE A 66 0.004 2.635 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 66 0.080 2.199 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 66 1.360 0.630 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.813 2.489 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.025 3.129 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.779 -0.317 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.059 -0.691 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.850 0.585 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.389 2.674 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.357 1.619 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.157 0.969 -1.984 1.00 0.00 H new ATOM 984 N HIS A 67 -1.952 0.717 -3.726 1.00 0.00 N ATOM 985 CA HIS A 67 -3.011 -0.280 -3.829 1.00 0.00 C ATOM 986 C HIS A 67 -2.488 -1.564 -4.467 1.00 0.00 C ATOM 987 O HIS A 67 -1.686 -1.522 -5.400 1.00 0.00 O ATOM 988 CB HIS A 67 -4.180 0.270 -4.647 1.00 0.00 C ATOM 989 CG HIS A 67 -4.879 1.422 -3.993 1.00 0.00 C ATOM 990 ND1 HIS A 67 -5.659 1.287 -2.864 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.909 2.737 -4.314 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.141 2.468 -2.521 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.701 3.365 -3.384 1.00 0.00 N ATOM 0 H HIS A 67 -2.006 1.463 -4.419 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.358 -0.511 -2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -3.813 0.586 -5.624 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.900 -0.530 -4.820 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.404 3.205 -5.146 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.786 2.666 -1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.914 4.362 -3.363 1.00 0.00 H new ATOM 1002 N ASP A 68 -2.947 -2.701 -3.958 1.00 0.00 N ATOM 1003 CA ASP A 68 -2.526 -3.997 -4.478 1.00 0.00 C ATOM 1004 C ASP A 68 -1.096 -4.314 -4.054 1.00 0.00 C ATOM 1005 O ASP A 68 -0.267 -4.710 -4.874 1.00 0.00 O ATOM 1006 CB ASP A 68 -2.635 -4.018 -6.004 1.00 0.00 C ATOM 1007 CG ASP A 68 -3.925 -3.395 -6.501 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -5.005 -3.814 -6.033 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -3.855 -2.489 -7.356 1.00 0.00 O ATOM 0 H ASP A 68 -3.611 -2.752 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.186 -4.759 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.788 -3.483 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.573 -5.048 -6.356 1.00 0.00 H new ATOM 1014 N LEU A 69 -0.813 -4.137 -2.768 1.00 0.00 N ATOM 1015 CA LEU A 69 0.519 -4.403 -2.234 1.00 0.00 C ATOM 1016 C LEU A 69 0.981 -5.810 -2.600 1.00 0.00 C ATOM 1017 O LEU A 69 0.165 -6.694 -2.861 1.00 0.00 O ATOM 1018 CB LEU A 69 0.523 -4.232 -0.714 1.00 0.00 C ATOM 1019 CG LEU A 69 0.809 -2.820 -0.199 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.548 -2.735 1.297 1.00 0.00 C ATOM 1021 CD2 LEU A 69 2.241 -2.416 -0.517 1.00 0.00 C ATOM 0 H LEU A 69 -1.487 -3.811 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 69 1.211 -3.687 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.447 -4.548 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.268 -4.908 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 69 0.137 -2.126 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.757 -1.724 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.495 -2.981 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.195 -3.440 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.426 -1.409 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.930 -3.113 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.394 -2.436 -1.596 1.00 0.00 H new ATOM 1033 N SER A 70 2.294 -6.011 -2.614 1.00 0.00 N ATOM 1034 CA SER A 70 2.866 -7.310 -2.949 1.00 0.00 C ATOM 1035 C SER A 70 4.321 -7.396 -2.499 1.00 0.00 C ATOM 1036 O SER A 70 5.014 -6.383 -2.402 1.00 0.00 O ATOM 1037 CB SER A 70 2.770 -7.560 -4.455 1.00 0.00 C ATOM 1038 OG SER A 70 2.648 -8.944 -4.736 1.00 0.00 O ATOM 0 H SER A 70 2.983 -5.291 -2.397 1.00 0.00 H new ATOM 0 HA SER A 70 2.296 -8.076 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.911 -7.026 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.656 -7.162 -4.950 1.00 0.00 H new ATOM 0 HG SER A 70 2.587 -9.077 -5.705 1.00 0.00 H new ATOM 1044 N VAL A 71 4.778 -8.614 -2.226 1.00 0.00 N ATOM 1045 CA VAL A 71 6.151 -8.834 -1.787 1.00 0.00 C ATOM 1046 C VAL A 71 7.144 -8.168 -2.733 1.00 0.00 C ATOM 1047 O VAL A 71 8.220 -7.739 -2.318 1.00 0.00 O ATOM 1048 CB VAL A 71 6.477 -10.337 -1.695 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.953 -10.918 -0.390 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.899 -11.081 -2.889 1.00 0.00 C ATOM 0 H VAL A 71 4.218 -9.463 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 71 6.241 -8.388 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 71 7.560 -10.458 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.192 -11.980 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.419 -10.403 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.872 -10.787 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.139 -12.141 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.817 -10.954 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.327 -10.682 -3.808 1.00 0.00 H new ATOM 1060 N ALA A 72 6.774 -8.084 -4.007 1.00 0.00 N ATOM 1061 CA ALA A 72 7.631 -7.467 -5.012 1.00 0.00 C ATOM 1062 C ALA A 72 7.685 -5.954 -4.833 1.00 0.00 C ATOM 1063 O ALA A 72 8.682 -5.314 -5.169 1.00 0.00 O ATOM 1064 CB ALA A 72 7.142 -7.818 -6.410 1.00 0.00 C ATOM 0 H ALA A 72 5.887 -8.435 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 72 8.640 -7.858 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.791 -7.351 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.162 -8.900 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.123 -7.455 -6.541 1.00 0.00 H new ATOM 1070 N ASP A 73 6.607 -5.386 -4.304 1.00 0.00 N ATOM 1071 CA ASP A 73 6.532 -3.947 -4.080 1.00 0.00 C ATOM 1072 C ASP A 73 7.498 -3.517 -2.981 1.00 0.00 C ATOM 1073 O ASP A 73 8.065 -2.426 -3.031 1.00 0.00 O ATOM 1074 CB ASP A 73 5.104 -3.541 -3.710 1.00 0.00 C ATOM 1075 CG ASP A 73 4.256 -3.234 -4.928 1.00 0.00 C ATOM 1076 OD1 ASP A 73 4.038 -4.152 -5.746 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.809 -2.075 -5.064 1.00 0.00 O ATOM 0 H ASP A 73 5.773 -5.900 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 73 6.816 -3.445 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.637 -4.344 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.135 -2.665 -3.062 1.00 0.00 H new ATOM 1082 N ALA A 74 7.678 -4.381 -1.987 1.00 0.00 N ATOM 1083 CA ALA A 74 8.576 -4.091 -0.876 1.00 0.00 C ATOM 1084 C ALA A 74 9.974 -3.744 -1.376 1.00 0.00 C ATOM 1085 O ALA A 74 10.770 -4.629 -1.687 1.00 0.00 O ATOM 1086 CB ALA A 74 8.633 -5.274 0.079 1.00 0.00 C ATOM 0 H ALA A 74 7.214 -5.287 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 74 8.185 -3.225 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.307 -5.044 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.636 -5.474 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.997 -6.153 -0.452 1.00 0.00 H new ATOM 1092 N GLY A 75 10.266 -2.449 -1.451 1.00 0.00 N ATOM 1093 CA GLY A 75 11.569 -2.008 -1.915 1.00 0.00 C ATOM 1094 C GLY A 75 11.959 -0.657 -1.348 1.00 0.00 C ATOM 1095 O GLY A 75 12.069 -0.495 -0.133 1.00 0.00 O ATOM 0 H GLY A 75 9.624 -1.698 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.320 -2.747 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.565 -1.954 -3.004 1.00 0.00 H new ATOM 1099 N GLU A 76 12.172 0.314 -2.231 1.00 0.00 N ATOM 1100 CA GLU A 76 12.555 1.657 -1.811 1.00 0.00 C ATOM 1101 C GLU A 76 11.827 2.714 -2.636 1.00 0.00 C ATOM 1102 O GLU A 76 12.081 2.868 -3.830 1.00 0.00 O ATOM 1103 CB GLU A 76 14.068 1.844 -1.943 1.00 0.00 C ATOM 1104 CG GLU A 76 14.567 3.169 -1.393 1.00 0.00 C ATOM 1105 CD GLU A 76 16.072 3.192 -1.203 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.791 3.455 -2.189 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.529 2.948 -0.066 1.00 0.00 O ATOM 0 H GLU A 76 12.086 0.196 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 76 12.271 1.778 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.573 1.031 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.345 1.769 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.278 3.972 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.081 3.368 -0.438 1.00 0.00 H new ATOM 1114 N TYR A 77 10.919 3.438 -1.990 1.00 0.00 N ATOM 1115 CA TYR A 77 10.151 4.478 -2.664 1.00 0.00 C ATOM 1116 C TYR A 77 10.772 5.852 -2.429 1.00 0.00 C ATOM 1117 O TYR A 77 10.851 6.325 -1.295 1.00 0.00 O ATOM 1118 CB TYR A 77 8.703 4.470 -2.173 1.00 0.00 C ATOM 1119 CG TYR A 77 7.921 3.252 -2.611 1.00 0.00 C ATOM 1120 CD1 TYR A 77 8.020 2.053 -1.917 1.00 0.00 C ATOM 1121 CD2 TYR A 77 7.086 3.300 -3.720 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.309 0.937 -2.315 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.370 2.190 -4.124 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.485 1.011 -3.418 1.00 0.00 C ATOM 1125 OH TYR A 77 5.774 -0.098 -3.818 1.00 0.00 O ATOM 0 H TYR A 77 10.697 3.324 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 77 10.166 4.270 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.697 4.523 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.200 5.365 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.663 1.992 -1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.995 4.221 -4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.398 0.012 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.724 2.245 -4.988 1.00 0.00 H new ATOM 0 HH TYR A 77 5.073 0.172 -4.447 1.00 0.00 H new ATOM 1135 N SER A 78 11.212 6.488 -3.510 1.00 0.00 N ATOM 1136 CA SER A 78 11.829 7.806 -3.423 1.00 0.00 C ATOM 1137 C SER A 78 10.903 8.878 -3.991 1.00 0.00 C ATOM 1138 O SER A 78 10.268 8.680 -5.027 1.00 0.00 O ATOM 1139 CB SER A 78 13.162 7.819 -4.173 1.00 0.00 C ATOM 1140 OG SER A 78 13.920 6.657 -3.885 1.00 0.00 O ATOM 0 H SER A 78 11.153 6.112 -4.456 1.00 0.00 H new ATOM 0 HA SER A 78 12.010 8.026 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.979 7.881 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.731 8.706 -3.895 1.00 0.00 H new ATOM 0 HG SER A 78 14.465 6.812 -3.085 1.00 0.00 H new ATOM 1146 N CYS A 79 10.831 10.012 -3.304 1.00 0.00 N ATOM 1147 CA CYS A 79 9.982 11.116 -3.737 1.00 0.00 C ATOM 1148 C CYS A 79 10.813 12.364 -4.018 1.00 0.00 C ATOM 1149 O CYS A 79 11.574 12.819 -3.164 1.00 0.00 O ATOM 1150 CB CYS A 79 8.924 11.421 -2.676 1.00 0.00 C ATOM 1151 SG CYS A 79 7.408 12.155 -3.334 1.00 0.00 S ATOM 0 H CYS A 79 11.350 10.191 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 79 9.484 10.818 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.671 10.498 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.351 12.098 -1.936 1.00 0.00 H new ATOM 0 HG CYS A 79 6.503 11.232 -3.472 1.00 0.00 H new ATOM 1157 N MET A 80 10.663 12.911 -5.219 1.00 0.00 N ATOM 1158 CA MET A 80 11.401 14.106 -5.612 1.00 0.00 C ATOM 1159 C MET A 80 10.516 15.345 -5.522 1.00 0.00 C ATOM 1160 O MET A 80 9.406 15.367 -6.055 1.00 0.00 O ATOM 1161 CB MET A 80 11.942 13.953 -7.035 1.00 0.00 C ATOM 1162 CG MET A 80 12.934 12.812 -7.189 1.00 0.00 C ATOM 1163 SD MET A 80 13.634 12.719 -8.848 1.00 0.00 S ATOM 1164 CE MET A 80 13.767 10.946 -9.061 1.00 0.00 C ATOM 0 H MET A 80 10.037 12.546 -5.937 1.00 0.00 H new ATOM 0 HA MET A 80 12.238 14.228 -4.925 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.107 13.792 -7.717 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.423 14.884 -7.334 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.740 12.936 -6.465 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.438 11.870 -6.955 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.235 10.729 -10.021 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.375 10.528 -8.259 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.773 10.501 -9.033 1.00 0.00 H new ATOM 1174 N CYS A 81 11.014 16.375 -4.846 1.00 0.00 N ATOM 1175 CA CYS A 81 10.268 17.617 -4.686 1.00 0.00 C ATOM 1176 C CYS A 81 11.151 18.825 -4.983 1.00 0.00 C ATOM 1177 O CYS A 81 11.953 19.241 -4.148 1.00 0.00 O ATOM 1178 CB CYS A 81 9.705 17.719 -3.268 1.00 0.00 C ATOM 1179 SG CYS A 81 8.820 19.260 -2.934 1.00 0.00 S ATOM 0 H CYS A 81 11.931 16.374 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 81 9.443 17.610 -5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.030 16.880 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.524 17.621 -2.556 1.00 0.00 H new ATOM 0 HG CYS A 81 7.704 19.273 -3.601 1.00 0.00 H new ATOM 1185 N GLY A 82 11.000 19.382 -6.181 1.00 0.00 N ATOM 1186 CA GLY A 82 11.792 20.535 -6.568 1.00 0.00 C ATOM 1187 C GLY A 82 13.236 20.177 -6.854 1.00 0.00 C ATOM 1188 O GLY A 82 13.604 19.924 -8.001 1.00 0.00 O ATOM 0 H GLY A 82 10.344 19.055 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.352 20.993 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.756 21.280 -5.773 1.00 0.00 H new ATOM 1192 N GLN A 83 14.057 20.156 -5.809 1.00 0.00 N ATOM 1193 CA GLN A 83 15.470 19.828 -5.954 1.00 0.00 C ATOM 1194 C GLN A 83 15.871 18.709 -4.998 1.00 0.00 C ATOM 1195 O GLN A 83 16.630 17.812 -5.362 1.00 0.00 O ATOM 1196 CB GLN A 83 16.332 21.066 -5.699 1.00 0.00 C ATOM 1197 CG GLN A 83 16.222 22.119 -6.789 1.00 0.00 C ATOM 1198 CD GLN A 83 17.004 23.377 -6.466 1.00 0.00 C ATOM 1199 OE1 GLN A 83 17.792 23.407 -5.520 1.00 0.00 O ATOM 1200 NE2 GLN A 83 16.790 24.425 -7.253 1.00 0.00 N ATOM 0 H GLN A 83 13.768 20.362 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 83 15.634 19.484 -6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.043 21.510 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.374 20.760 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.583 21.702 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 83 15.173 22.376 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.128 24.356 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 83 17.288 25.299 -7.085 1.00 0.00 H new ATOM 1209 N GLU A 84 15.356 18.770 -3.774 1.00 0.00 N ATOM 1210 CA GLU A 84 15.662 17.762 -2.766 1.00 0.00 C ATOM 1211 C GLU A 84 15.068 16.410 -3.151 1.00 0.00 C ATOM 1212 O GLU A 84 14.393 16.285 -4.173 1.00 0.00 O ATOM 1213 CB GLU A 84 15.126 18.196 -1.400 1.00 0.00 C ATOM 1214 CG GLU A 84 15.969 19.267 -0.728 1.00 0.00 C ATOM 1215 CD GLU A 84 16.114 20.514 -1.579 1.00 0.00 C ATOM 1216 OE1 GLU A 84 15.077 21.078 -1.987 1.00 0.00 O ATOM 1217 OE2 GLU A 84 17.264 20.926 -1.836 1.00 0.00 O ATOM 0 H GLU A 84 14.725 19.506 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 84 16.746 17.660 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.109 18.568 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.072 17.325 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.517 19.534 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.958 18.863 -0.511 1.00 0.00 H new ATOM 1224 N ARG A 85 15.326 15.401 -2.326 1.00 0.00 N ATOM 1225 CA ARG A 85 14.819 14.058 -2.580 1.00 0.00 C ATOM 1226 C ARG A 85 14.960 13.179 -1.341 1.00 0.00 C ATOM 1227 O ARG A 85 15.893 13.342 -0.553 1.00 0.00 O ATOM 1228 CB ARG A 85 15.564 13.423 -3.756 1.00 0.00 C ATOM 1229 CG ARG A 85 15.082 12.022 -4.097 1.00 0.00 C ATOM 1230 CD ARG A 85 15.966 11.370 -5.149 1.00 0.00 C ATOM 1231 NE ARG A 85 17.146 10.743 -4.560 1.00 0.00 N ATOM 1232 CZ ARG A 85 18.214 10.382 -5.263 1.00 0.00 C ATOM 1233 NH1 ARG A 85 18.250 10.586 -6.572 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.250 9.817 -4.655 1.00 0.00 N ATOM 0 H ARG A 85 15.883 15.488 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 85 13.761 14.138 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.452 14.060 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.628 13.385 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.074 11.409 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.055 12.067 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.390 10.621 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.279 12.120 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 85 17.151 10.573 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.456 11.021 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.071 10.308 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.226 9.660 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.070 9.540 -5.195 1.00 0.00 H new ATOM 1248 N THR A 86 14.028 12.247 -1.172 1.00 0.00 N ATOM 1249 CA THR A 86 14.047 11.344 -0.029 1.00 0.00 C ATOM 1250 C THR A 86 13.658 9.928 -0.439 1.00 0.00 C ATOM 1251 O THR A 86 13.095 9.716 -1.512 1.00 0.00 O ATOM 1252 CB THR A 86 13.094 11.824 1.082 1.00 0.00 C ATOM 1253 OG1 THR A 86 13.235 10.995 2.241 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.650 11.797 0.606 1.00 0.00 C ATOM 0 H THR A 86 13.249 12.098 -1.814 1.00 0.00 H new ATOM 0 HA THR A 86 15.068 11.341 0.353 1.00 0.00 H new ATOM 0 HB THR A 86 13.357 12.851 1.336 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.043 11.521 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.996 12.140 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.539 12.452 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.378 10.779 0.327 1.00 0.00 H new ATOM 1262 N SER A 87 13.962 8.963 0.423 1.00 0.00 N ATOM 1263 CA SER A 87 13.647 7.566 0.148 1.00 0.00 C ATOM 1264 C SER A 87 13.022 6.900 1.370 1.00 0.00 C ATOM 1265 O SER A 87 13.317 7.264 2.508 1.00 0.00 O ATOM 1266 CB SER A 87 14.909 6.809 -0.270 1.00 0.00 C ATOM 1267 OG SER A 87 15.581 7.481 -1.322 1.00 0.00 O ATOM 0 H SER A 87 14.426 9.123 1.317 1.00 0.00 H new ATOM 0 HA SER A 87 12.927 7.536 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.576 6.707 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.644 5.801 -0.589 1.00 0.00 H new ATOM 0 HG SER A 87 16.385 6.978 -1.570 1.00 0.00 H new ATOM 1273 N ALA A 88 12.158 5.921 1.125 1.00 0.00 N ATOM 1274 CA ALA A 88 11.492 5.201 2.204 1.00 0.00 C ATOM 1275 C ALA A 88 11.326 3.725 1.859 1.00 0.00 C ATOM 1276 O ALA A 88 10.911 3.378 0.753 1.00 0.00 O ATOM 1277 CB ALA A 88 10.140 5.831 2.503 1.00 0.00 C ATOM 0 H ALA A 88 11.902 5.608 0.189 1.00 0.00 H new ATOM 0 HA ALA A 88 12.117 5.270 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.654 5.283 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.281 6.870 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.515 5.792 1.611 1.00 0.00 H new ATOM 1283 N THR A 89 11.653 2.858 2.813 1.00 0.00 N ATOM 1284 CA THR A 89 11.541 1.420 2.609 1.00 0.00 C ATOM 1285 C THR A 89 10.240 0.881 3.192 1.00 0.00 C ATOM 1286 O THR A 89 10.056 0.856 4.410 1.00 0.00 O ATOM 1287 CB THR A 89 12.725 0.669 3.246 1.00 0.00 C ATOM 1288 OG1 THR A 89 13.961 1.170 2.725 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.626 -0.825 2.979 1.00 0.00 C ATOM 0 H THR A 89 11.998 3.128 3.734 1.00 0.00 H new ATOM 0 HA THR A 89 11.550 1.252 1.532 1.00 0.00 H new ATOM 0 HB THR A 89 12.692 0.833 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.709 0.688 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.473 -1.334 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.698 -1.210 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.635 -1.004 1.904 1.00 0.00 H new ATOM 1297 N LEU A 90 9.339 0.450 2.317 1.00 0.00 N ATOM 1298 CA LEU A 90 8.053 -0.090 2.745 1.00 0.00 C ATOM 1299 C LEU A 90 8.191 -1.546 3.179 1.00 0.00 C ATOM 1300 O LEU A 90 9.080 -2.262 2.717 1.00 0.00 O ATOM 1301 CB LEU A 90 7.029 0.021 1.614 1.00 0.00 C ATOM 1302 CG LEU A 90 5.775 -0.843 1.757 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.762 -0.168 2.668 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.163 -1.124 0.392 1.00 0.00 C ATOM 0 H LEU A 90 9.475 0.464 1.306 1.00 0.00 H new ATOM 0 HA LEU A 90 7.708 0.494 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.720 1.063 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.522 -0.241 0.678 1.00 0.00 H new ATOM 0 HG LEU A 90 6.061 -1.793 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.877 -0.798 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.202 -0.019 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.480 0.797 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.272 -1.740 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.892 -0.183 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.887 -1.651 -0.230 1.00 0.00 H new ATOM 1316 N THR A 91 7.304 -1.979 4.070 1.00 0.00 N ATOM 1317 CA THR A 91 7.326 -3.349 4.566 1.00 0.00 C ATOM 1318 C THR A 91 6.090 -4.118 4.113 1.00 0.00 C ATOM 1319 O THR A 91 4.961 -3.666 4.303 1.00 0.00 O ATOM 1320 CB THR A 91 7.406 -3.388 6.104 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.538 -2.638 6.555 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.509 -4.821 6.604 1.00 0.00 C ATOM 0 H THR A 91 6.562 -1.400 4.463 1.00 0.00 H new ATOM 0 HA THR A 91 8.216 -3.821 4.151 1.00 0.00 H new ATOM 0 HB THR A 91 6.494 -2.945 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.580 -2.666 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.564 -4.823 7.693 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.631 -5.382 6.284 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.406 -5.286 6.194 1.00 0.00 H new ATOM 1330 N VAL A 92 6.311 -5.284 3.514 1.00 0.00 N ATOM 1331 CA VAL A 92 5.214 -6.117 3.035 1.00 0.00 C ATOM 1332 C VAL A 92 5.317 -7.533 3.590 1.00 0.00 C ATOM 1333 O VAL A 92 6.396 -8.126 3.609 1.00 0.00 O ATOM 1334 CB VAL A 92 5.189 -6.181 1.496 1.00 0.00 C ATOM 1335 CG1 VAL A 92 4.021 -7.029 1.016 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.120 -4.780 0.906 1.00 0.00 C ATOM 0 H VAL A 92 7.239 -5.673 3.349 1.00 0.00 H new ATOM 0 HA VAL A 92 4.290 -5.658 3.387 1.00 0.00 H new ATOM 0 HB VAL A 92 6.112 -6.650 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.019 -7.063 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.119 -8.040 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.086 -6.592 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.103 -4.844 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.215 -4.283 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.993 -4.209 1.222 1.00 0.00 H new ATOM 1346 N ARG A 93 4.188 -8.070 4.040 1.00 0.00 N ATOM 1347 CA ARG A 93 4.151 -9.417 4.597 1.00 0.00 C ATOM 1348 C ARG A 93 3.414 -10.371 3.662 1.00 0.00 C ATOM 1349 O ARG A 93 2.222 -10.206 3.403 1.00 0.00 O ATOM 1350 CB ARG A 93 3.474 -9.406 5.969 1.00 0.00 C ATOM 1351 CG ARG A 93 4.439 -9.185 7.122 1.00 0.00 C ATOM 1352 CD ARG A 93 4.630 -7.705 7.412 1.00 0.00 C ATOM 1353 NE ARG A 93 5.714 -7.469 8.363 1.00 0.00 N ATOM 1354 CZ ARG A 93 5.616 -7.712 9.665 1.00 0.00 C ATOM 1355 NH1 ARG A 93 4.489 -8.196 10.169 1.00 0.00 N ATOM 1356 NH2 ARG A 93 6.646 -7.472 10.466 1.00 0.00 N ATOM 0 H ARG A 93 3.286 -7.593 4.030 1.00 0.00 H new ATOM 0 HA ARG A 93 5.178 -9.766 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.717 -8.622 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.956 -10.353 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.063 -9.686 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.402 -9.638 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.842 -7.178 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.703 -7.291 7.809 1.00 0.00 H new ATOM 0 HE ARG A 93 6.595 -7.097 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.695 -8.382 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.416 -8.382 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.515 -7.100 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.569 -7.659 11.466 1.00 0.00 H new ATOM 1370 N ALA A 94 4.132 -11.369 3.158 1.00 0.00 N ATOM 1371 CA ALA A 94 3.547 -12.351 2.253 1.00 0.00 C ATOM 1372 C ALA A 94 2.354 -13.049 2.897 1.00 0.00 C ATOM 1373 O ALA A 94 2.279 -13.169 4.121 1.00 0.00 O ATOM 1374 CB ALA A 94 4.594 -13.371 1.832 1.00 0.00 C ATOM 0 H ALA A 94 5.120 -11.519 3.361 1.00 0.00 H new ATOM 0 HA ALA A 94 3.192 -11.825 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.143 -14.098 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.413 -12.863 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.977 -13.884 2.714 1.00 0.00 H new ATOM 1380 N LEU A 95 1.423 -13.506 2.067 1.00 0.00 N ATOM 1381 CA LEU A 95 0.232 -14.192 2.557 1.00 0.00 C ATOM 1382 C LEU A 95 0.609 -15.449 3.334 1.00 0.00 C ATOM 1383 O LEU A 95 1.678 -16.029 3.144 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.686 -14.557 1.389 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.464 -13.401 0.760 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -2.670 -13.922 -0.006 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.898 -12.407 1.828 1.00 0.00 C ATOM 0 H LEU A 95 1.469 -13.414 1.052 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.296 -13.516 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.083 -15.028 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.401 -15.304 1.734 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.808 -12.887 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.211 -13.084 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.336 -14.594 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.328 -14.461 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.450 -11.591 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.537 -12.909 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.018 -12.008 2.333 1.00 0.00 H new ATOM 1399 N PRO A 96 -0.291 -15.883 4.230 1.00 0.00 N ATOM 1400 CA PRO A 96 -0.076 -17.077 5.052 1.00 0.00 C ATOM 1401 C PRO A 96 -0.127 -18.362 4.233 1.00 0.00 C ATOM 1402 O PRO A 96 -1.123 -18.646 3.568 1.00 0.00 O ATOM 1403 CB PRO A 96 -1.236 -17.034 6.051 1.00 0.00 C ATOM 1404 CG PRO A 96 -2.301 -16.253 5.360 1.00 0.00 C ATOM 1405 CD PRO A 96 -1.586 -15.241 4.508 1.00 0.00 C ATOM 0 HA PRO A 96 0.908 -17.077 5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.580 -18.037 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.937 -16.557 6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.928 -16.903 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.956 -15.763 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.135 -15.029 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.460 -14.293 5.031 1.00 0.00 H new ATOM 1413 N ALA A 97 0.952 -19.136 4.285 1.00 0.00 N ATOM 1414 CA ALA A 97 1.029 -20.392 3.550 1.00 0.00 C ATOM 1415 C ALA A 97 0.657 -21.573 4.440 1.00 0.00 C ATOM 1416 O ALA A 97 1.069 -21.643 5.598 1.00 0.00 O ATOM 1417 CB ALA A 97 2.424 -20.581 2.973 1.00 0.00 C ATOM 0 H ALA A 97 1.786 -18.915 4.829 1.00 0.00 H new ATOM 0 HA ALA A 97 0.312 -20.349 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.467 -21.523 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.652 -19.758 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.154 -20.597 3.783 1.00 0.00 H new ATOM 1423 N ARG A 98 -0.123 -22.499 3.892 1.00 0.00 N ATOM 1424 CA ARG A 98 -0.551 -23.676 4.638 1.00 0.00 C ATOM 1425 C ARG A 98 0.647 -24.401 5.245 1.00 0.00 C ATOM 1426 O ARG A 98 1.542 -24.850 4.529 1.00 0.00 O ATOM 1427 CB ARG A 98 -1.328 -24.629 3.727 1.00 0.00 C ATOM 1428 CG ARG A 98 -2.282 -25.544 4.476 1.00 0.00 C ATOM 1429 CD ARG A 98 -3.561 -24.819 4.863 1.00 0.00 C ATOM 1430 NE ARG A 98 -4.231 -25.457 5.994 1.00 0.00 N ATOM 1431 CZ ARG A 98 -5.381 -25.029 6.503 1.00 0.00 C ATOM 1432 NH1 ARG A 98 -5.986 -23.970 5.985 1.00 0.00 N ATOM 1433 NH2 ARG A 98 -5.928 -25.662 7.533 1.00 0.00 N ATOM 0 H ARG A 98 -0.471 -22.457 2.934 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.202 -23.345 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.893 -24.044 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.620 -25.238 3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.525 -26.406 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.793 -25.926 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.329 -23.784 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.237 -24.795 4.008 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.792 -26.275 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.569 -23.481 5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.869 -23.644 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.465 -26.478 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.811 -25.333 7.923 1.00 0.00 H new ATOM 1447 N PHE A 99 0.658 -24.509 6.569 1.00 0.00 N ATOM 1448 CA PHE A 99 1.746 -25.177 7.273 1.00 0.00 C ATOM 1449 C PHE A 99 1.629 -26.693 7.143 1.00 0.00 C ATOM 1450 O PHE A 99 0.660 -27.295 7.606 1.00 0.00 O ATOM 1451 CB PHE A 99 1.746 -24.780 8.751 1.00 0.00 C ATOM 1452 CG PHE A 99 0.638 -25.414 9.542 1.00 0.00 C ATOM 1453 CD1 PHE A 99 -0.607 -24.810 9.623 1.00 0.00 C ATOM 1454 CD2 PHE A 99 0.841 -26.613 10.205 1.00 0.00 C ATOM 1455 CE1 PHE A 99 -1.628 -25.391 10.351 1.00 0.00 C ATOM 1456 CE2 PHE A 99 -0.177 -27.199 10.934 1.00 0.00 C ATOM 1457 CZ PHE A 99 -1.413 -26.587 11.006 1.00 0.00 C ATOM 0 H PHE A 99 -0.075 -24.142 7.176 1.00 0.00 H new ATOM 0 HA PHE A 99 2.686 -24.862 6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.703 -25.058 9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.662 -23.696 8.828 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.781 -23.875 9.111 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.806 -27.096 10.152 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.593 -24.910 10.407 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.006 -28.134 11.447 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.210 -27.043 11.574 1.00 0.00 H new ATOM 1467 N THR A 100 2.624 -27.305 6.508 1.00 0.00 N ATOM 1468 CA THR A 100 2.633 -28.749 6.314 1.00 0.00 C ATOM 1469 C THR A 100 3.705 -29.413 7.170 1.00 0.00 C ATOM 1470 O THR A 100 4.795 -28.869 7.345 1.00 0.00 O ATOM 1471 CB THR A 100 2.871 -29.117 4.837 1.00 0.00 C ATOM 1472 OG1 THR A 100 2.810 -30.537 4.669 1.00 0.00 O ATOM 1473 CG2 THR A 100 4.222 -28.602 4.363 1.00 0.00 C ATOM 0 H THR A 100 3.434 -26.822 6.119 1.00 0.00 H new ATOM 0 HA THR A 100 1.652 -29.114 6.618 1.00 0.00 H new ATOM 0 HB THR A 100 2.090 -28.648 4.238 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.961 -30.762 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.368 -28.873 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.254 -27.517 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.013 -29.046 4.967 1.00 0.00 H new ATOM 1481 N GLU A 101 3.389 -30.590 7.700 1.00 0.00 N ATOM 1482 CA GLU A 101 4.327 -31.326 8.539 1.00 0.00 C ATOM 1483 C GLU A 101 3.850 -32.759 8.761 1.00 0.00 C ATOM 1484 O GLU A 101 2.666 -33.060 8.616 1.00 0.00 O ATOM 1485 CB GLU A 101 4.504 -30.621 9.885 1.00 0.00 C ATOM 1486 CG GLU A 101 5.797 -30.984 10.597 1.00 0.00 C ATOM 1487 CD GLU A 101 6.970 -31.115 9.645 1.00 0.00 C ATOM 1488 OE1 GLU A 101 7.099 -30.262 8.743 1.00 0.00 O ATOM 1489 OE2 GLU A 101 7.758 -32.071 9.802 1.00 0.00 O ATOM 0 H GLU A 101 2.491 -31.054 7.563 1.00 0.00 H new ATOM 0 HA GLU A 101 5.288 -31.357 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.476 -29.543 9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.661 -30.871 10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.023 -30.222 11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.661 -31.924 11.132 1.00 0.00 H new ATOM 1496 N GLY A 102 4.782 -33.639 9.113 1.00 0.00 N ATOM 1497 CA GLY A 102 4.439 -35.029 9.349 1.00 0.00 C ATOM 1498 C GLY A 102 5.618 -35.842 9.845 1.00 0.00 C ATOM 1499 O GLY A 102 5.987 -36.847 9.239 1.00 0.00 O ATOM 0 H GLY A 102 5.769 -33.414 9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.632 -35.082 10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.062 -35.468 8.426 1.00 0.00 H new ATOM 1503 N SER A 103 6.212 -35.405 10.951 1.00 0.00 N ATOM 1504 CA SER A 103 7.361 -36.096 11.526 1.00 0.00 C ATOM 1505 C SER A 103 7.143 -36.369 13.011 1.00 0.00 C ATOM 1506 O SER A 103 6.380 -35.671 13.677 1.00 0.00 O ATOM 1507 CB SER A 103 8.632 -35.267 11.330 1.00 0.00 C ATOM 1508 OG SER A 103 8.613 -34.104 12.140 1.00 0.00 O ATOM 0 H SER A 103 5.917 -34.576 11.467 1.00 0.00 H new ATOM 0 HA SER A 103 7.475 -37.050 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.505 -35.871 11.576 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.726 -34.982 10.282 1.00 0.00 H new ATOM 0 HG SER A 103 8.380 -33.327 11.591 1.00 0.00 H new ATOM 1514 N GLY A 104 7.819 -37.393 13.523 1.00 0.00 N ATOM 1515 CA GLY A 104 7.687 -37.742 14.925 1.00 0.00 C ATOM 1516 C GLY A 104 8.971 -38.297 15.509 1.00 0.00 C ATOM 1517 O GLY A 104 9.672 -39.091 14.880 1.00 0.00 O ATOM 0 H GLY A 104 8.456 -37.987 12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.387 -36.859 15.489 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.892 -38.478 15.039 1.00 0.00 H new ATOM 1521 N PRO A 105 9.297 -37.875 16.739 1.00 0.00 N ATOM 1522 CA PRO A 105 10.508 -38.322 17.434 1.00 0.00 C ATOM 1523 C PRO A 105 10.431 -39.787 17.850 1.00 0.00 C ATOM 1524 O PRO A 105 9.387 -40.260 18.299 1.00 0.00 O ATOM 1525 CB PRO A 105 10.564 -37.418 18.668 1.00 0.00 C ATOM 1526 CG PRO A 105 9.149 -37.015 18.906 1.00 0.00 C ATOM 1527 CD PRO A 105 8.509 -36.930 17.548 1.00 0.00 C ATOM 0 HA PRO A 105 11.391 -38.253 16.798 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.975 -37.947 19.528 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.199 -36.549 18.494 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.636 -37.743 19.534 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.098 -36.056 19.422 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.456 -37.211 17.582 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.556 -35.919 17.144 1.00 0.00 H new ATOM 1535 N SER A 106 11.543 -40.500 17.699 1.00 0.00 N ATOM 1536 CA SER A 106 11.599 -41.913 18.056 1.00 0.00 C ATOM 1537 C SER A 106 13.045 -42.379 18.198 1.00 0.00 C ATOM 1538 O SER A 106 13.772 -42.492 17.212 1.00 0.00 O ATOM 1539 CB SER A 106 10.880 -42.757 17.001 1.00 0.00 C ATOM 1540 OG SER A 106 10.535 -44.030 17.517 1.00 0.00 O ATOM 0 H SER A 106 12.417 -40.123 17.332 1.00 0.00 H new ATOM 0 HA SER A 106 11.098 -42.041 19.015 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.980 -42.240 16.668 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.521 -42.876 16.127 1.00 0.00 H new ATOM 0 HG SER A 106 10.075 -44.550 16.825 1.00 0.00 H new ATOM 1546 N SER A 107 13.454 -42.650 19.434 1.00 0.00 N ATOM 1547 CA SER A 107 14.813 -43.101 19.708 1.00 0.00 C ATOM 1548 C SER A 107 15.304 -44.043 18.612 1.00 0.00 C ATOM 1549 O SER A 107 14.764 -45.132 18.426 1.00 0.00 O ATOM 1550 CB SER A 107 14.876 -43.803 21.066 1.00 0.00 C ATOM 1551 OG SER A 107 16.170 -44.327 21.309 1.00 0.00 O ATOM 0 H SER A 107 12.863 -42.565 20.261 1.00 0.00 H new ATOM 0 HA SER A 107 15.463 -42.226 19.729 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.611 -43.100 21.855 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.142 -44.608 21.097 1.00 0.00 H new ATOM 0 HG SER A 107 16.185 -44.769 22.183 1.00 0.00 H new ATOM 1557 N GLY A 108 16.333 -43.613 17.888 1.00 0.00 N ATOM 1558 CA GLY A 108 16.881 -44.428 16.820 1.00 0.00 C ATOM 1559 C GLY A 108 15.816 -45.231 16.099 1.00 0.00 C ATOM 1560 O GLY A 108 16.081 -45.833 15.059 1.00 0.00 O ATOM 0 H GLY A 108 16.797 -42.715 18.022 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.395 -43.786 16.104 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.627 -45.107 17.232 1.00 0.00 H new TER 1564 GLY A 108