USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 798 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 43 GLN : amide:sc= 0.0811 K(o=0.17,f=-0.86) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0.0843 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= -0.219 USER MOD Set 2.2: A 28 HIS :FLIP no HD1:sc= -0.618 F(o=-4.1,f=-0.84) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.049 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.382 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.114 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -179:sc= -1.75 (180deg=-1.76) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 37:sc= 0.421 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 20 MET CE :methyl -145:sc= 0 (180deg=-0.0371) USER MOD Single : A 21 ASN : amide:sc= -0.295 K(o=-0.3,f=-3!) USER MOD Single : A 22 THR OG1 : rot 139:sc= -3.11! USER MOD Single : A 26 GLN :FLIP amide:sc= -4.3! C(o=-5.2!,f=-4.3!) USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= -0.594 (180deg=-1.62!) USER MOD Single : A 40 TYR OH : rot 82:sc= -0.168! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.934 USER MOD Single : A 53 ASN : amide:sc= 0.064 X(o=0.064,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -3.86! C(o=-3.9!,f=-15!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -156:sc= 0.918 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.159 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.473 17.922 16.877 1.00 0.00 N ATOM 2 CA GLY A 1 9.104 17.109 15.854 1.00 0.00 C ATOM 3 C GLY A 1 10.230 17.838 15.147 1.00 0.00 C ATOM 4 O GLY A 1 10.821 18.766 15.700 1.00 0.00 O ATOM 0 H1 GLY A 1 8.463 17.401 17.777 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.006 18.807 16.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.497 18.142 16.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.494 16.198 16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.355 16.806 15.122 1.00 0.00 H new ATOM 8 N SER A 2 10.529 17.416 13.923 1.00 0.00 N ATOM 9 CA SER A 2 11.596 18.031 13.142 1.00 0.00 C ATOM 10 C SER A 2 11.461 17.676 11.664 1.00 0.00 C ATOM 11 O SER A 2 11.468 16.502 11.294 1.00 0.00 O ATOM 12 CB SER A 2 12.962 17.583 13.663 1.00 0.00 C ATOM 13 OG SER A 2 13.099 16.174 13.590 1.00 0.00 O ATOM 0 H SER A 2 10.048 16.651 13.451 1.00 0.00 H new ATOM 0 HA SER A 2 11.512 19.113 13.247 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.751 18.059 13.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.086 17.911 14.695 1.00 0.00 H new ATOM 0 HG SER A 2 12.541 15.828 12.862 1.00 0.00 H new ATOM 19 N SER A 3 11.339 18.699 10.825 1.00 0.00 N ATOM 20 CA SER A 3 11.199 18.496 9.387 1.00 0.00 C ATOM 21 C SER A 3 12.283 17.560 8.863 1.00 0.00 C ATOM 22 O SER A 3 13.431 17.612 9.303 1.00 0.00 O ATOM 23 CB SER A 3 11.267 19.836 8.653 1.00 0.00 C ATOM 24 OG SER A 3 10.592 19.771 7.408 1.00 0.00 O ATOM 0 H SER A 3 11.334 19.677 11.115 1.00 0.00 H new ATOM 0 HA SER A 3 10.227 18.038 9.202 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.822 20.616 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.309 20.113 8.491 1.00 0.00 H new ATOM 0 HG SER A 3 10.649 20.640 6.959 1.00 0.00 H new ATOM 30 N GLY A 4 11.909 16.702 7.918 1.00 0.00 N ATOM 31 CA GLY A 4 12.860 15.765 7.348 1.00 0.00 C ATOM 32 C GLY A 4 13.424 16.244 6.025 1.00 0.00 C ATOM 33 O GLY A 4 12.793 16.087 4.980 1.00 0.00 O ATOM 0 H GLY A 4 10.965 16.639 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.677 15.608 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.373 14.800 7.204 1.00 0.00 H new ATOM 37 N SER A 5 14.615 16.832 6.069 1.00 0.00 N ATOM 38 CA SER A 5 15.262 17.341 4.865 1.00 0.00 C ATOM 39 C SER A 5 15.470 16.224 3.847 1.00 0.00 C ATOM 40 O SER A 5 15.208 16.397 2.657 1.00 0.00 O ATOM 41 CB SER A 5 16.605 17.984 5.215 1.00 0.00 C ATOM 42 OG SER A 5 17.542 17.009 5.641 1.00 0.00 O ATOM 0 H SER A 5 15.152 16.968 6.926 1.00 0.00 H new ATOM 0 HA SER A 5 14.611 18.095 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.996 18.513 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.463 18.725 6.002 1.00 0.00 H new ATOM 0 HG SER A 5 18.393 17.445 5.857 1.00 0.00 H new ATOM 48 N SER A 6 15.943 15.077 4.324 1.00 0.00 N ATOM 49 CA SER A 6 16.191 13.932 3.456 1.00 0.00 C ATOM 50 C SER A 6 15.438 12.701 3.953 1.00 0.00 C ATOM 51 O SER A 6 15.247 12.520 5.154 1.00 0.00 O ATOM 52 CB SER A 6 17.689 13.633 3.386 1.00 0.00 C ATOM 53 OG SER A 6 18.374 14.630 2.646 1.00 0.00 O ATOM 0 H SER A 6 16.162 14.916 5.307 1.00 0.00 H new ATOM 0 HA SER A 6 15.830 14.179 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.100 13.578 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.847 12.659 2.923 1.00 0.00 H new ATOM 0 HG SER A 6 19.330 14.417 2.617 1.00 0.00 H new ATOM 59 N GLY A 7 15.013 11.858 3.017 1.00 0.00 N ATOM 60 CA GLY A 7 14.286 10.655 3.378 1.00 0.00 C ATOM 61 C GLY A 7 14.448 9.550 2.353 1.00 0.00 C ATOM 62 O GLY A 7 15.120 9.713 1.334 1.00 0.00 O ATOM 0 H GLY A 7 15.159 11.987 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.635 10.301 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.228 10.893 3.487 1.00 0.00 H new ATOM 66 N PRO A 8 13.825 8.393 2.621 1.00 0.00 N ATOM 67 CA PRO A 8 13.890 7.233 1.727 1.00 0.00 C ATOM 68 C PRO A 8 13.124 7.459 0.428 1.00 0.00 C ATOM 69 O PRO A 8 12.204 8.274 0.372 1.00 0.00 O ATOM 70 CB PRO A 8 13.238 6.116 2.546 1.00 0.00 C ATOM 71 CG PRO A 8 12.334 6.823 3.496 1.00 0.00 C ATOM 72 CD PRO A 8 13.008 8.128 3.817 1.00 0.00 C ATOM 0 HA PRO A 8 14.912 7.012 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.683 5.429 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.985 5.525 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.353 6.990 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.178 6.232 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.283 8.922 3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.622 8.053 4.715 1.00 0.00 H new ATOM 80 N GLY A 9 13.509 6.730 -0.616 1.00 0.00 N ATOM 81 CA GLY A 9 12.847 6.866 -1.900 1.00 0.00 C ATOM 82 C GLY A 9 11.511 6.150 -1.942 1.00 0.00 C ATOM 83 O GLY A 9 10.820 6.051 -0.928 1.00 0.00 O ATOM 0 H GLY A 9 14.267 6.048 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.696 7.923 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.493 6.469 -2.683 1.00 0.00 H new ATOM 87 N ARG A 10 11.145 5.652 -3.118 1.00 0.00 N ATOM 88 CA ARG A 10 9.882 4.944 -3.289 1.00 0.00 C ATOM 89 C ARG A 10 10.114 3.443 -3.429 1.00 0.00 C ATOM 90 O ARG A 10 10.838 2.981 -4.311 1.00 0.00 O ATOM 91 CB ARG A 10 9.139 5.473 -4.517 1.00 0.00 C ATOM 92 CG ARG A 10 8.782 6.948 -4.426 1.00 0.00 C ATOM 93 CD ARG A 10 8.219 7.467 -5.739 1.00 0.00 C ATOM 94 NE ARG A 10 9.267 7.702 -6.729 1.00 0.00 N ATOM 95 CZ ARG A 10 9.029 7.870 -8.025 1.00 0.00 C ATOM 96 NH1 ARG A 10 7.787 7.830 -8.485 1.00 0.00 N ATOM 97 NH2 ARG A 10 10.036 8.079 -8.864 1.00 0.00 N ATOM 0 H ARG A 10 11.705 5.726 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 10 9.274 5.118 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.755 5.311 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.225 4.895 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.052 7.098 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.669 7.522 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.501 6.749 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.676 8.395 -5.559 1.00 0.00 H new ATOM 0 HE ARG A 10 10.234 7.739 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.010 7.670 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.608 7.959 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.993 8.111 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.852 8.208 -9.859 1.00 0.00 H new ATOM 111 N PRO A 11 9.486 2.661 -2.537 1.00 0.00 N ATOM 112 CA PRO A 11 9.609 1.201 -2.541 1.00 0.00 C ATOM 113 C PRO A 11 8.912 0.563 -3.738 1.00 0.00 C ATOM 114 O PRO A 11 7.995 1.145 -4.318 1.00 0.00 O ATOM 115 CB PRO A 11 8.922 0.784 -1.238 1.00 0.00 C ATOM 116 CG PRO A 11 7.962 1.886 -0.947 1.00 0.00 C ATOM 117 CD PRO A 11 8.608 3.144 -1.459 1.00 0.00 C ATOM 0 HA PRO A 11 10.648 0.880 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.407 -0.170 -1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.644 0.664 -0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.005 1.710 -1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.762 1.957 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.868 3.853 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.173 3.652 -0.678 1.00 0.00 H new ATOM 125 N THR A 12 9.352 -0.637 -4.103 1.00 0.00 N ATOM 126 CA THR A 12 8.772 -1.354 -5.231 1.00 0.00 C ATOM 127 C THR A 12 7.583 -2.201 -4.792 1.00 0.00 C ATOM 128 O THR A 12 7.753 -3.322 -4.311 1.00 0.00 O ATOM 129 CB THR A 12 9.811 -2.262 -5.915 1.00 0.00 C ATOM 130 OG1 THR A 12 11.073 -1.591 -5.991 1.00 0.00 O ATOM 131 CG2 THR A 12 9.353 -2.652 -7.312 1.00 0.00 C ATOM 0 H THR A 12 10.109 -1.133 -3.633 1.00 0.00 H new ATOM 0 HA THR A 12 8.435 -0.601 -5.943 1.00 0.00 H new ATOM 0 HB THR A 12 9.917 -3.168 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.729 -2.176 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.103 -3.293 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.406 -3.189 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.221 -1.754 -7.916 1.00 0.00 H new ATOM 139 N MET A 13 6.382 -1.660 -4.960 1.00 0.00 N ATOM 140 CA MET A 13 5.165 -2.369 -4.582 1.00 0.00 C ATOM 141 C MET A 13 4.573 -3.110 -5.777 1.00 0.00 C ATOM 142 O MET A 13 4.408 -2.537 -6.854 1.00 0.00 O ATOM 143 CB MET A 13 4.135 -1.391 -4.012 1.00 0.00 C ATOM 144 CG MET A 13 2.931 -2.074 -3.385 1.00 0.00 C ATOM 145 SD MET A 13 1.975 -0.965 -2.332 1.00 0.00 S ATOM 146 CE MET A 13 1.533 0.316 -3.502 1.00 0.00 C ATOM 0 H MET A 13 6.225 -0.733 -5.355 1.00 0.00 H new ATOM 0 HA MET A 13 5.424 -3.100 -3.816 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.618 -0.764 -3.263 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.794 -0.730 -4.809 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.288 -2.464 -4.174 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.268 -2.927 -2.796 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.953 1.087 -2.995 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.439 0.758 -3.917 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.938 -0.116 -4.307 1.00 0.00 H new ATOM 156 N MET A 14 4.256 -4.385 -5.579 1.00 0.00 N ATOM 157 CA MET A 14 3.682 -5.203 -6.642 1.00 0.00 C ATOM 158 C MET A 14 2.342 -5.792 -6.211 1.00 0.00 C ATOM 159 O MET A 14 2.271 -6.558 -5.249 1.00 0.00 O ATOM 160 CB MET A 14 4.646 -6.326 -7.027 1.00 0.00 C ATOM 161 CG MET A 14 6.088 -5.868 -7.169 1.00 0.00 C ATOM 162 SD MET A 14 7.245 -7.244 -7.297 1.00 0.00 S ATOM 163 CE MET A 14 8.430 -6.811 -6.026 1.00 0.00 C ATOM 0 H MET A 14 4.386 -4.874 -4.694 1.00 0.00 H new ATOM 0 HA MET A 14 3.516 -4.564 -7.509 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.596 -7.111 -6.273 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.319 -6.767 -7.969 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.179 -5.238 -8.054 1.00 0.00 H new ATOM 0 HG3 MET A 14 6.356 -5.252 -6.310 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.211 -7.570 -5.983 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.876 -5.844 -6.259 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.925 -6.755 -5.062 1.00 0.00 H new ATOM 173 N ILE A 15 1.284 -5.429 -6.927 1.00 0.00 N ATOM 174 CA ILE A 15 -0.053 -5.923 -6.618 1.00 0.00 C ATOM 175 C ILE A 15 -0.493 -6.982 -7.623 1.00 0.00 C ATOM 176 O ILE A 15 -0.554 -6.724 -8.825 1.00 0.00 O ATOM 177 CB ILE A 15 -1.086 -4.781 -6.606 1.00 0.00 C ATOM 178 CG1 ILE A 15 -0.625 -3.657 -5.677 1.00 0.00 C ATOM 179 CG2 ILE A 15 -2.449 -5.305 -6.177 1.00 0.00 C ATOM 180 CD1 ILE A 15 -1.138 -2.292 -6.079 1.00 0.00 C ATOM 0 H ILE A 15 1.326 -4.795 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.004 -6.367 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.174 -4.379 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.957 -3.876 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.465 -3.636 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.169 -4.486 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.779 -6.075 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.377 -5.729 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.772 -1.544 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.785 -2.051 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.228 -2.296 -6.070 1.00 0.00 H new ATOM 192 N SER A 16 -0.802 -8.174 -7.122 1.00 0.00 N ATOM 193 CA SER A 16 -1.236 -9.273 -7.976 1.00 0.00 C ATOM 194 C SER A 16 -2.443 -9.985 -7.373 1.00 0.00 C ATOM 195 O SER A 16 -2.489 -10.247 -6.171 1.00 0.00 O ATOM 196 CB SER A 16 -0.093 -10.268 -8.182 1.00 0.00 C ATOM 197 OG SER A 16 0.744 -9.869 -9.254 1.00 0.00 O ATOM 0 H SER A 16 -0.760 -8.403 -6.129 1.00 0.00 H new ATOM 0 HA SER A 16 -1.526 -8.858 -8.942 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.495 -10.346 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.501 -11.258 -8.384 1.00 0.00 H new ATOM 0 HG SER A 16 1.468 -10.521 -9.364 1.00 0.00 H new ATOM 203 N THR A 17 -3.421 -10.298 -8.218 1.00 0.00 N ATOM 204 CA THR A 17 -4.630 -10.978 -7.771 1.00 0.00 C ATOM 205 C THR A 17 -4.524 -12.484 -7.985 1.00 0.00 C ATOM 206 O THR A 17 -4.326 -12.950 -9.107 1.00 0.00 O ATOM 207 CB THR A 17 -5.876 -10.453 -8.508 1.00 0.00 C ATOM 208 OG1 THR A 17 -5.746 -10.684 -9.915 1.00 0.00 O ATOM 209 CG2 THR A 17 -6.072 -8.967 -8.249 1.00 0.00 C ATOM 0 H THR A 17 -3.399 -10.091 -9.217 1.00 0.00 H new ATOM 0 HA THR A 17 -4.734 -10.771 -6.706 1.00 0.00 H new ATOM 0 HB THR A 17 -6.747 -10.989 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.304 -11.545 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.958 -8.619 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.200 -8.798 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.199 -8.418 -8.601 1.00 0.00 H new ATOM 217 N THR A 18 -4.657 -13.242 -6.901 1.00 0.00 N ATOM 218 CA THR A 18 -4.576 -14.695 -6.969 1.00 0.00 C ATOM 219 C THR A 18 -5.925 -15.336 -6.664 1.00 0.00 C ATOM 220 O THR A 18 -6.517 -15.995 -7.518 1.00 0.00 O ATOM 221 CB THR A 18 -3.524 -15.246 -5.988 1.00 0.00 C ATOM 222 OG1 THR A 18 -3.944 -15.016 -4.639 1.00 0.00 O ATOM 223 CG2 THR A 18 -2.171 -14.592 -6.222 1.00 0.00 C ATOM 0 H THR A 18 -4.821 -12.873 -5.965 1.00 0.00 H new ATOM 0 HA THR A 18 -4.279 -14.947 -7.987 1.00 0.00 H new ATOM 0 HB THR A 18 -3.426 -16.318 -6.159 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.271 -15.371 -4.022 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.444 -14.997 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.840 -14.794 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.257 -13.515 -6.076 1.00 0.00 H new ATOM 231 N ALA A 19 -6.405 -15.139 -5.440 1.00 0.00 N ATOM 232 CA ALA A 19 -7.685 -15.696 -5.023 1.00 0.00 C ATOM 233 C ALA A 19 -8.843 -14.816 -5.483 1.00 0.00 C ATOM 234 O ALA A 19 -8.639 -13.815 -6.169 1.00 0.00 O ATOM 235 CB ALA A 19 -7.719 -15.868 -3.511 1.00 0.00 C ATOM 0 H ALA A 19 -5.926 -14.598 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.797 -16.674 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.681 -16.285 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.920 -16.543 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.580 -14.899 -3.031 1.00 0.00 H new ATOM 241 N MET A 20 -10.057 -15.196 -5.101 1.00 0.00 N ATOM 242 CA MET A 20 -11.247 -14.440 -5.474 1.00 0.00 C ATOM 243 C MET A 20 -11.434 -13.234 -4.560 1.00 0.00 C ATOM 244 O MET A 20 -11.538 -13.377 -3.342 1.00 0.00 O ATOM 245 CB MET A 20 -12.486 -15.336 -5.416 1.00 0.00 C ATOM 246 CG MET A 20 -12.797 -15.852 -4.020 1.00 0.00 C ATOM 247 SD MET A 20 -14.174 -17.017 -4.001 1.00 0.00 S ATOM 248 CE MET A 20 -15.560 -15.905 -4.227 1.00 0.00 C ATOM 0 H MET A 20 -10.243 -16.023 -4.533 1.00 0.00 H new ATOM 0 HA MET A 20 -11.114 -14.082 -6.495 1.00 0.00 H new ATOM 0 HB2 MET A 20 -13.345 -14.779 -5.788 1.00 0.00 H new ATOM 0 HB3 MET A 20 -12.342 -16.185 -6.085 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.911 -16.336 -3.610 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.030 -15.009 -3.369 1.00 0.00 H new ATOM 0 HE1 MET A 20 -16.416 -16.270 -3.659 1.00 0.00 H new ATOM 0 HE2 MET A 20 -15.289 -14.910 -3.875 1.00 0.00 H new ATOM 0 HE3 MET A 20 -15.820 -15.858 -5.285 1.00 0.00 H new ATOM 258 N ASN A 21 -11.475 -12.046 -5.155 1.00 0.00 N ATOM 259 CA ASN A 21 -11.649 -10.815 -4.393 1.00 0.00 C ATOM 260 C ASN A 21 -10.507 -10.624 -3.400 1.00 0.00 C ATOM 261 O ASN A 21 -10.710 -10.137 -2.287 1.00 0.00 O ATOM 262 CB ASN A 21 -12.987 -10.834 -3.651 1.00 0.00 C ATOM 263 CG ASN A 21 -14.132 -11.285 -4.536 1.00 0.00 C ATOM 264 OD1 ASN A 21 -14.271 -12.471 -4.834 1.00 0.00 O ATOM 265 ND2 ASN A 21 -14.960 -10.337 -4.962 1.00 0.00 N ATOM 0 H ASN A 21 -11.390 -11.910 -6.162 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.642 -9.980 -5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.913 -11.499 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.200 -9.837 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.749 -10.580 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.807 -9.366 -4.690 1.00 0.00 H new ATOM 272 N THR A 22 -9.302 -11.012 -3.809 1.00 0.00 N ATOM 273 CA THR A 22 -8.128 -10.885 -2.956 1.00 0.00 C ATOM 274 C THR A 22 -6.937 -10.341 -3.738 1.00 0.00 C ATOM 275 O THR A 22 -6.638 -10.808 -4.836 1.00 0.00 O ATOM 276 CB THR A 22 -7.740 -12.237 -2.328 1.00 0.00 C ATOM 277 OG1 THR A 22 -7.059 -13.047 -3.292 1.00 0.00 O ATOM 278 CG2 THR A 22 -8.972 -12.971 -1.822 1.00 0.00 C ATOM 0 H THR A 22 -9.115 -11.417 -4.726 1.00 0.00 H new ATOM 0 HA THR A 22 -8.389 -10.186 -2.162 1.00 0.00 H new ATOM 0 HB THR A 22 -7.078 -12.044 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.306 -13.504 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.674 -13.923 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.473 -12.364 -1.067 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.654 -13.153 -2.653 1.00 0.00 H new ATOM 286 N ALA A 23 -6.261 -9.350 -3.164 1.00 0.00 N ATOM 287 CA ALA A 23 -5.102 -8.745 -3.806 1.00 0.00 C ATOM 288 C ALA A 23 -3.844 -8.942 -2.967 1.00 0.00 C ATOM 289 O ALA A 23 -3.756 -8.457 -1.838 1.00 0.00 O ATOM 290 CB ALA A 23 -5.348 -7.263 -4.052 1.00 0.00 C ATOM 0 H ALA A 23 -6.497 -8.950 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.949 -9.241 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.474 -6.824 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.217 -7.141 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.530 -6.762 -3.101 1.00 0.00 H new ATOM 296 N LEU A 24 -2.872 -9.656 -3.524 1.00 0.00 N ATOM 297 CA LEU A 24 -1.618 -9.918 -2.826 1.00 0.00 C ATOM 298 C LEU A 24 -0.705 -8.697 -2.870 1.00 0.00 C ATOM 299 O LEU A 24 -0.507 -8.094 -3.926 1.00 0.00 O ATOM 300 CB LEU A 24 -0.909 -11.123 -3.446 1.00 0.00 C ATOM 301 CG LEU A 24 0.536 -11.352 -3.001 1.00 0.00 C ATOM 302 CD1 LEU A 24 0.614 -11.495 -1.489 1.00 0.00 C ATOM 303 CD2 LEU A 24 1.116 -12.582 -3.686 1.00 0.00 C ATOM 0 H LEU A 24 -2.928 -10.064 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.849 -10.138 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.486 -12.018 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.921 -11.008 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 24 1.128 -10.484 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.650 -11.657 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.239 -10.586 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.008 -12.344 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.145 -12.730 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.522 -13.458 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.097 -12.440 -4.767 1.00 0.00 H new ATOM 315 N LEU A 25 -0.149 -8.338 -1.718 1.00 0.00 N ATOM 316 CA LEU A 25 0.746 -7.190 -1.626 1.00 0.00 C ATOM 317 C LEU A 25 2.172 -7.635 -1.319 1.00 0.00 C ATOM 318 O LEU A 25 2.416 -8.331 -0.333 1.00 0.00 O ATOM 319 CB LEU A 25 0.257 -6.224 -0.545 1.00 0.00 C ATOM 320 CG LEU A 25 -1.082 -5.537 -0.815 1.00 0.00 C ATOM 321 CD1 LEU A 25 -1.447 -4.609 0.334 1.00 0.00 C ATOM 322 CD2 LEU A 25 -1.034 -4.770 -2.128 1.00 0.00 C ATOM 0 H LEU A 25 -0.302 -8.825 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 25 0.744 -6.680 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.179 -6.771 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.016 -5.454 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.852 -6.304 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.403 -4.129 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.525 -5.185 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.675 -3.847 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.996 -4.288 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.252 -4.012 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.820 -5.460 -2.945 1.00 0.00 H new ATOM 334 N GLN A 26 3.110 -7.227 -2.168 1.00 0.00 N ATOM 335 CA GLN A 26 4.512 -7.583 -1.986 1.00 0.00 C ATOM 336 C GLN A 26 5.422 -6.420 -2.367 1.00 0.00 C ATOM 337 O GLN A 26 5.456 -5.999 -3.523 1.00 0.00 O ATOM 338 CB GLN A 26 4.860 -8.815 -2.823 1.00 0.00 C ATOM 339 CG GLN A 26 4.068 -10.055 -2.440 1.00 0.00 C ATOM 340 CD GLN A 26 4.797 -11.340 -2.777 1.00 0.00 C ATOM 341 OE1 GLN A 26 4.091 -12.461 -2.691 1.00 0.00 O flip ATOM 342 NE2 GLN A 26 5.982 -11.326 -3.112 1.00 0.00 N flip ATOM 0 H GLN A 26 2.924 -6.650 -2.988 1.00 0.00 H new ATOM 0 HA GLN A 26 4.669 -7.813 -0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.682 -8.591 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.924 -9.027 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.857 -10.031 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.107 -10.041 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.487 -10.441 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.459 -12.199 -3.337 1.00 0.00 H new ATOM 351 N TRP A 27 6.158 -5.906 -1.388 1.00 0.00 N ATOM 352 CA TRP A 27 7.069 -4.791 -1.621 1.00 0.00 C ATOM 353 C TRP A 27 8.476 -5.129 -1.141 1.00 0.00 C ATOM 354 O TRP A 27 8.661 -6.009 -0.300 1.00 0.00 O ATOM 355 CB TRP A 27 6.562 -3.535 -0.912 1.00 0.00 C ATOM 356 CG TRP A 27 6.370 -3.721 0.562 1.00 0.00 C ATOM 357 CD1 TRP A 27 7.322 -3.601 1.534 1.00 0.00 C ATOM 358 CD2 TRP A 27 5.152 -4.063 1.232 1.00 0.00 C ATOM 359 NE1 TRP A 27 6.769 -3.848 2.767 1.00 0.00 N ATOM 360 CE2 TRP A 27 5.438 -4.132 2.609 1.00 0.00 C ATOM 361 CE3 TRP A 27 3.846 -4.314 0.802 1.00 0.00 C ATOM 362 CZ2 TRP A 27 4.467 -4.444 3.556 1.00 0.00 C ATOM 363 CZ3 TRP A 27 2.883 -4.624 1.743 1.00 0.00 C ATOM 364 CH2 TRP A 27 3.197 -4.686 3.108 1.00 0.00 C ATOM 0 H TRP A 27 6.142 -6.243 -0.426 1.00 0.00 H new ATOM 0 HA TRP A 27 7.107 -4.603 -2.694 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.269 -2.722 -1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.615 -3.232 -1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.357 -3.349 1.359 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.268 -3.824 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.594 -4.266 -0.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.708 -4.493 4.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.871 -4.822 1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.422 -4.929 3.819 1.00 0.00 H new ATOM 375 N HIS A 28 9.466 -4.423 -1.679 1.00 0.00 N ATOM 376 CA HIS A 28 10.857 -4.647 -1.304 1.00 0.00 C ATOM 377 C HIS A 28 11.473 -3.381 -0.716 1.00 0.00 C ATOM 378 O HIS A 28 11.041 -2.263 -0.998 1.00 0.00 O ATOM 379 CB HIS A 28 11.667 -5.106 -2.517 1.00 0.00 C ATOM 380 CG HIS A 28 12.520 -4.028 -3.110 1.00 0.00 C ATOM 381 ND1 HIS A 28 12.182 -2.879 -3.742 1.00 0.00 N flip ATOM 382 CD2 HIS A 28 13.898 -4.063 -3.094 1.00 0.00 C flip ATOM 383 CE1 HIS A 28 13.351 -2.248 -4.091 1.00 0.00 C flip ATOM 384 NE2 HIS A 28 14.372 -2.982 -3.688 1.00 0.00 N flip ATOM 0 H HIS A 28 9.330 -3.691 -2.376 1.00 0.00 H new ATOM 0 HA HIS A 28 10.881 -5.428 -0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 28 12.303 -5.941 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.984 -5.478 -3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 28 14.497 -4.851 -2.663 1.00 0.00 H new ATOM 0 HE1 HIS A 28 13.423 -1.304 -4.611 1.00 0.00 H new ATOM 0 HE2 HIS A 28 15.358 -2.754 -3.814 1.00 0.00 H new ATOM 393 N PRO A 29 12.505 -3.558 0.123 1.00 0.00 N ATOM 394 CA PRO A 29 13.201 -2.441 0.768 1.00 0.00 C ATOM 395 C PRO A 29 14.019 -1.619 -0.222 1.00 0.00 C ATOM 396 O PRO A 29 14.780 -2.152 -1.030 1.00 0.00 O ATOM 397 CB PRO A 29 14.121 -3.132 1.778 1.00 0.00 C ATOM 398 CG PRO A 29 14.344 -4.494 1.216 1.00 0.00 C ATOM 399 CD PRO A 29 13.072 -4.862 0.505 1.00 0.00 C ATOM 0 HA PRO A 29 12.506 -1.733 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.061 -2.592 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.660 -3.181 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.190 -4.499 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.571 -5.210 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.265 -5.487 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.396 -5.420 1.153 1.00 0.00 H new ATOM 407 N PRO A 30 13.861 -0.288 -0.159 1.00 0.00 N ATOM 408 CA PRO A 30 14.578 0.636 -1.043 1.00 0.00 C ATOM 409 C PRO A 30 16.069 0.700 -0.728 1.00 0.00 C ATOM 410 O PRO A 30 16.470 0.671 0.435 1.00 0.00 O ATOM 411 CB PRO A 30 13.914 1.986 -0.758 1.00 0.00 C ATOM 412 CG PRO A 30 13.371 1.857 0.623 1.00 0.00 C ATOM 413 CD PRO A 30 12.971 0.416 0.779 1.00 0.00 C ATOM 0 HA PRO A 30 14.520 0.328 -2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.633 2.803 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.122 2.197 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.120 2.136 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.516 2.517 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.110 0.069 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.921 0.261 0.530 1.00 0.00 H new ATOM 421 N LYS A 31 16.886 0.787 -1.772 1.00 0.00 N ATOM 422 CA LYS A 31 18.333 0.857 -1.609 1.00 0.00 C ATOM 423 C LYS A 31 18.800 2.306 -1.506 1.00 0.00 C ATOM 424 O LYS A 31 19.958 2.572 -1.189 1.00 0.00 O ATOM 425 CB LYS A 31 19.033 0.166 -2.781 1.00 0.00 C ATOM 426 CG LYS A 31 20.473 -0.219 -2.488 1.00 0.00 C ATOM 427 CD LYS A 31 20.988 -1.249 -3.479 1.00 0.00 C ATOM 428 CE LYS A 31 20.704 -2.667 -3.007 1.00 0.00 C ATOM 429 NZ LYS A 31 19.283 -3.052 -3.231 1.00 0.00 N ATOM 0 H LYS A 31 16.570 0.811 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 31 18.594 0.343 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.474 -0.730 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 31 19.012 0.827 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.103 0.670 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.545 -0.618 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.520 -1.087 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.061 -1.118 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.356 -3.363 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.940 -2.751 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.226 -4.072 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.725 -2.830 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.904 -2.523 -4.042 1.00 0.00 H new ATOM 443 N GLU A 32 17.889 3.237 -1.775 1.00 0.00 N ATOM 444 CA GLU A 32 18.210 4.658 -1.711 1.00 0.00 C ATOM 445 C GLU A 32 17.839 5.239 -0.350 1.00 0.00 C ATOM 446 O GLU A 32 17.783 6.457 -0.177 1.00 0.00 O ATOM 447 CB GLU A 32 17.478 5.418 -2.820 1.00 0.00 C ATOM 448 CG GLU A 32 17.674 4.818 -4.201 1.00 0.00 C ATOM 449 CD GLU A 32 18.877 5.395 -4.922 1.00 0.00 C ATOM 450 OE1 GLU A 32 18.735 6.467 -5.548 1.00 0.00 O ATOM 451 OE2 GLU A 32 19.959 4.775 -4.862 1.00 0.00 O ATOM 0 H GLU A 32 16.925 3.033 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 32 19.285 4.769 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.413 5.441 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.824 6.452 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.793 3.738 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.779 4.991 -4.799 1.00 0.00 H new ATOM 458 N LEU A 33 17.585 4.360 0.613 1.00 0.00 N ATOM 459 CA LEU A 33 17.219 4.784 1.959 1.00 0.00 C ATOM 460 C LEU A 33 18.459 5.109 2.785 1.00 0.00 C ATOM 461 O LEU A 33 19.290 4.246 3.068 1.00 0.00 O ATOM 462 CB LEU A 33 16.401 3.694 2.654 1.00 0.00 C ATOM 463 CG LEU A 33 16.000 3.975 4.103 1.00 0.00 C ATOM 464 CD1 LEU A 33 14.702 3.262 4.446 1.00 0.00 C ATOM 465 CD2 LEU A 33 17.110 3.553 5.055 1.00 0.00 C ATOM 0 H LEU A 33 17.626 3.349 0.486 1.00 0.00 H new ATOM 0 HA LEU A 33 16.614 5.687 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.494 3.523 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.974 2.767 2.630 1.00 0.00 H new ATOM 0 HG LEU A 33 15.841 5.048 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.433 3.474 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.909 3.613 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.832 2.187 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.807 3.760 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.301 2.486 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.018 4.110 4.825 1.00 0.00 H new ATOM 477 N PRO A 34 18.589 6.383 3.183 1.00 0.00 N ATOM 478 CA PRO A 34 19.724 6.851 3.984 1.00 0.00 C ATOM 479 C PRO A 34 19.692 6.307 5.408 1.00 0.00 C ATOM 480 O PRO A 34 19.022 6.859 6.279 1.00 0.00 O ATOM 481 CB PRO A 34 19.552 8.372 3.989 1.00 0.00 C ATOM 482 CG PRO A 34 18.094 8.589 3.770 1.00 0.00 C ATOM 483 CD PRO A 34 17.637 7.465 2.882 1.00 0.00 C ATOM 0 HA PRO A 34 20.677 6.517 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 34 19.879 8.804 4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.144 8.840 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.552 8.584 4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.909 9.556 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 34 16.611 7.170 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.668 7.746 1.829 1.00 0.00 H new ATOM 491 N GLY A 35 20.421 5.219 5.638 1.00 0.00 N ATOM 492 CA GLY A 35 20.462 4.619 6.958 1.00 0.00 C ATOM 493 C GLY A 35 20.142 3.137 6.932 1.00 0.00 C ATOM 494 O GLY A 35 20.928 2.336 6.427 1.00 0.00 O ATOM 0 H GLY A 35 20.984 4.743 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.452 4.766 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.751 5.130 7.608 1.00 0.00 H new ATOM 498 N GLU A 36 18.987 2.773 7.478 1.00 0.00 N ATOM 499 CA GLU A 36 18.567 1.377 7.517 1.00 0.00 C ATOM 500 C GLU A 36 17.048 1.268 7.624 1.00 0.00 C ATOM 501 O GLU A 36 16.390 2.146 8.185 1.00 0.00 O ATOM 502 CB GLU A 36 19.225 0.656 8.695 1.00 0.00 C ATOM 503 CG GLU A 36 18.628 1.022 10.043 1.00 0.00 C ATOM 504 CD GLU A 36 19.595 0.797 11.190 1.00 0.00 C ATOM 505 OE1 GLU A 36 19.614 -0.323 11.740 1.00 0.00 O ATOM 506 OE2 GLU A 36 20.334 1.743 11.536 1.00 0.00 O ATOM 0 H GLU A 36 18.325 3.425 7.899 1.00 0.00 H new ATOM 0 HA GLU A 36 18.883 0.903 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 36 19.135 -0.420 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.290 0.889 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.324 2.069 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.728 0.430 10.210 1.00 0.00 H new ATOM 513 N LEU A 37 16.499 0.186 7.084 1.00 0.00 N ATOM 514 CA LEU A 37 15.058 -0.038 7.117 1.00 0.00 C ATOM 515 C LEU A 37 14.586 -0.332 8.538 1.00 0.00 C ATOM 516 O LEU A 37 15.156 -1.176 9.231 1.00 0.00 O ATOM 517 CB LEU A 37 14.681 -1.197 6.192 1.00 0.00 C ATOM 518 CG LEU A 37 13.184 -1.441 5.999 1.00 0.00 C ATOM 519 CD1 LEU A 37 12.635 -0.547 4.899 1.00 0.00 C ATOM 520 CD2 LEU A 37 12.920 -2.906 5.681 1.00 0.00 C ATOM 0 H LEU A 37 17.030 -0.550 6.618 1.00 0.00 H new ATOM 0 HA LEU A 37 14.565 0.870 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.128 -1.016 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.130 -2.110 6.584 1.00 0.00 H new ATOM 0 HG LEU A 37 12.672 -1.193 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.568 -0.735 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.791 0.498 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.151 -0.762 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.850 -3.062 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.444 -3.180 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.277 -3.527 6.503 1.00 0.00 H new ATOM 532 N LEU A 38 13.540 0.367 8.964 1.00 0.00 N ATOM 533 CA LEU A 38 12.989 0.180 10.302 1.00 0.00 C ATOM 534 C LEU A 38 11.494 -0.114 10.238 1.00 0.00 C ATOM 535 O LEU A 38 10.956 -0.835 11.077 1.00 0.00 O ATOM 536 CB LEU A 38 13.241 1.423 11.157 1.00 0.00 C ATOM 537 CG LEU A 38 14.697 1.873 11.275 1.00 0.00 C ATOM 538 CD1 LEU A 38 14.774 3.312 11.760 1.00 0.00 C ATOM 539 CD2 LEU A 38 15.466 0.952 12.212 1.00 0.00 C ATOM 0 H LEU A 38 13.056 1.068 8.403 1.00 0.00 H new ATOM 0 HA LEU A 38 13.489 -0.674 10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.659 2.247 10.744 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.858 1.233 12.160 1.00 0.00 H new ATOM 0 HG LEU A 38 15.154 1.819 10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.818 3.614 11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.260 3.962 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.299 3.392 12.738 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.501 1.288 12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.008 0.974 13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.441 -0.066 11.823 1.00 0.00 H new ATOM 551 N GLY A 39 10.827 0.450 9.235 1.00 0.00 N ATOM 552 CA GLY A 39 9.400 0.236 9.080 1.00 0.00 C ATOM 553 C GLY A 39 8.827 0.988 7.895 1.00 0.00 C ATOM 554 O GLY A 39 9.530 1.758 7.240 1.00 0.00 O ATOM 0 H GLY A 39 11.250 1.051 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.207 -0.830 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.887 0.551 9.989 1.00 0.00 H new ATOM 558 N TYR A 40 7.547 0.765 7.618 1.00 0.00 N ATOM 559 CA TYR A 40 6.880 1.424 6.502 1.00 0.00 C ATOM 560 C TYR A 40 5.365 1.399 6.680 1.00 0.00 C ATOM 561 O TYR A 40 4.819 0.496 7.313 1.00 0.00 O ATOM 562 CB TYR A 40 7.261 0.750 5.182 1.00 0.00 C ATOM 563 CG TYR A 40 7.676 -0.696 5.339 1.00 0.00 C ATOM 564 CD1 TYR A 40 6.902 -1.585 6.074 1.00 0.00 C ATOM 565 CD2 TYR A 40 8.842 -1.172 4.753 1.00 0.00 C ATOM 566 CE1 TYR A 40 7.277 -2.907 6.221 1.00 0.00 C ATOM 567 CE2 TYR A 40 9.224 -2.492 4.893 1.00 0.00 C ATOM 568 CZ TYR A 40 8.439 -3.355 5.628 1.00 0.00 C ATOM 569 OH TYR A 40 8.817 -4.671 5.771 1.00 0.00 O ATOM 0 H TYR A 40 6.951 0.132 8.151 1.00 0.00 H new ATOM 0 HA TYR A 40 7.208 2.463 6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.414 0.804 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.078 1.306 4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.991 -1.237 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.460 -0.499 4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.664 -3.585 6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.133 -2.846 4.429 1.00 0.00 H new ATOM 0 HH TYR A 40 8.332 -5.223 5.122 1.00 0.00 H new ATOM 579 N ARG A 41 4.693 2.398 6.116 1.00 0.00 N ATOM 580 CA ARG A 41 3.242 2.492 6.213 1.00 0.00 C ATOM 581 C ARG A 41 2.584 2.128 4.885 1.00 0.00 C ATOM 582 O ARG A 41 3.169 2.316 3.818 1.00 0.00 O ATOM 583 CB ARG A 41 2.828 3.905 6.629 1.00 0.00 C ATOM 584 CG ARG A 41 1.344 4.182 6.450 1.00 0.00 C ATOM 585 CD ARG A 41 1.054 5.675 6.438 1.00 0.00 C ATOM 586 NE ARG A 41 1.408 6.291 5.163 1.00 0.00 N ATOM 587 CZ ARG A 41 1.668 7.586 5.019 1.00 0.00 C ATOM 588 NH1 ARG A 41 1.613 8.397 6.067 1.00 0.00 N ATOM 589 NH2 ARG A 41 1.984 8.072 3.826 1.00 0.00 N ATOM 0 H ARG A 41 5.131 3.153 5.588 1.00 0.00 H new ATOM 0 HA ARG A 41 2.907 1.784 6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.094 4.060 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.397 4.628 6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.999 3.736 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.784 3.708 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.005 5.840 6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.610 6.159 7.241 1.00 0.00 H new ATOM 0 HE ARG A 41 1.459 5.695 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.371 8.027 6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.813 9.391 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.028 7.451 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.183 9.066 3.717 1.00 0.00 H new ATOM 603 N LEU A 42 1.365 1.606 4.958 1.00 0.00 N ATOM 604 CA LEU A 42 0.627 1.215 3.762 1.00 0.00 C ATOM 605 C LEU A 42 -0.726 1.917 3.703 1.00 0.00 C ATOM 606 O LEU A 42 -1.551 1.771 4.605 1.00 0.00 O ATOM 607 CB LEU A 42 0.429 -0.302 3.734 1.00 0.00 C ATOM 608 CG LEU A 42 0.327 -0.940 2.348 1.00 0.00 C ATOM 609 CD1 LEU A 42 -0.018 -2.416 2.464 1.00 0.00 C ATOM 610 CD2 LEU A 42 -0.708 -0.213 1.502 1.00 0.00 C ATOM 0 H LEU A 42 0.866 1.444 5.833 1.00 0.00 H new ATOM 0 HA LEU A 42 1.210 1.515 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.259 -0.767 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.478 -0.540 4.289 1.00 0.00 H new ATOM 0 HG LEU A 42 1.296 -0.852 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.086 -2.853 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.759 -2.928 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.974 -2.527 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.768 -0.680 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.681 -0.269 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.418 0.832 1.390 1.00 0.00 H new ATOM 622 N GLN A 43 -0.947 2.676 2.635 1.00 0.00 N ATOM 623 CA GLN A 43 -2.201 3.399 2.459 1.00 0.00 C ATOM 624 C GLN A 43 -2.887 2.990 1.159 1.00 0.00 C ATOM 625 O GLN A 43 -2.308 3.103 0.078 1.00 0.00 O ATOM 626 CB GLN A 43 -1.950 4.908 2.464 1.00 0.00 C ATOM 627 CG GLN A 43 -2.001 5.528 3.851 1.00 0.00 C ATOM 628 CD GLN A 43 -1.669 7.007 3.841 1.00 0.00 C ATOM 629 OE1 GLN A 43 -0.791 7.453 3.101 1.00 0.00 O ATOM 630 NE2 GLN A 43 -2.370 7.777 4.665 1.00 0.00 N ATOM 0 H GLN A 43 -0.275 2.806 1.879 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.858 3.145 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.974 5.107 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.692 5.394 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.996 5.386 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.301 5.007 4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.088 7.365 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.190 8.780 4.702 1.00 0.00 H new ATOM 639 N TYR A 44 -4.122 2.515 1.272 1.00 0.00 N ATOM 640 CA TYR A 44 -4.885 2.086 0.106 1.00 0.00 C ATOM 641 C TYR A 44 -6.380 2.296 0.326 1.00 0.00 C ATOM 642 O TYR A 44 -6.914 1.973 1.388 1.00 0.00 O ATOM 643 CB TYR A 44 -4.605 0.614 -0.201 1.00 0.00 C ATOM 644 CG TYR A 44 -5.072 -0.330 0.885 1.00 0.00 C ATOM 645 CD1 TYR A 44 -6.424 -0.584 1.077 1.00 0.00 C ATOM 646 CD2 TYR A 44 -4.161 -0.966 1.718 1.00 0.00 C ATOM 647 CE1 TYR A 44 -6.856 -1.445 2.068 1.00 0.00 C ATOM 648 CE2 TYR A 44 -4.583 -1.830 2.710 1.00 0.00 C ATOM 649 CZ TYR A 44 -5.931 -2.066 2.881 1.00 0.00 C ATOM 650 OH TYR A 44 -6.355 -2.924 3.870 1.00 0.00 O ATOM 0 H TYR A 44 -4.616 2.417 2.159 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.572 2.693 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.094 0.347 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.534 0.480 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.150 -0.100 0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.105 -0.782 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.911 -1.630 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.861 -2.318 3.348 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.578 -3.278 4.351 1.00 0.00 H new ATOM 660 N CYS A 45 -7.050 2.839 -0.685 1.00 0.00 N ATOM 661 CA CYS A 45 -8.484 3.092 -0.603 1.00 0.00 C ATOM 662 C CYS A 45 -9.139 2.956 -1.973 1.00 0.00 C ATOM 663 O CYS A 45 -8.456 2.851 -2.992 1.00 0.00 O ATOM 664 CB CYS A 45 -8.744 4.489 -0.036 1.00 0.00 C ATOM 665 SG CYS A 45 -7.713 5.784 -0.763 1.00 0.00 S ATOM 0 H CYS A 45 -6.623 3.112 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.922 2.349 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.792 4.744 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.578 4.469 1.041 1.00 0.00 H new ATOM 0 HG CYS A 45 -8.008 6.928 -0.221 1.00 0.00 H new ATOM 671 N ARG A 46 -10.468 2.956 -1.991 1.00 0.00 N ATOM 672 CA ARG A 46 -11.216 2.830 -3.236 1.00 0.00 C ATOM 673 C ARG A 46 -10.993 4.046 -4.130 1.00 0.00 C ATOM 674 O ARG A 46 -10.659 5.129 -3.651 1.00 0.00 O ATOM 675 CB ARG A 46 -12.709 2.665 -2.945 1.00 0.00 C ATOM 676 CG ARG A 46 -13.088 1.269 -2.479 1.00 0.00 C ATOM 677 CD ARG A 46 -14.570 0.996 -2.682 1.00 0.00 C ATOM 678 NE ARG A 46 -15.372 1.462 -1.554 1.00 0.00 N ATOM 679 CZ ARG A 46 -16.692 1.325 -1.484 1.00 0.00 C ATOM 680 NH1 ARG A 46 -17.354 0.739 -2.473 1.00 0.00 N ATOM 681 NH2 ARG A 46 -17.351 1.774 -0.425 1.00 0.00 N ATOM 0 H ARG A 46 -11.049 3.042 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.855 1.945 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.004 3.386 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.275 2.904 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.503 0.530 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.837 1.156 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.907 1.488 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.726 -0.074 -2.820 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.893 1.918 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.850 0.393 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.367 0.635 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.845 2.225 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.364 1.668 -0.372 1.00 0.00 H new ATOM 695 N ALA A 47 -11.179 3.858 -5.433 1.00 0.00 N ATOM 696 CA ALA A 47 -10.999 4.939 -6.394 1.00 0.00 C ATOM 697 C ALA A 47 -12.031 6.041 -6.179 1.00 0.00 C ATOM 698 O ALA A 47 -11.932 7.120 -6.764 1.00 0.00 O ATOM 699 CB ALA A 47 -11.085 4.402 -7.815 1.00 0.00 C ATOM 0 H ALA A 47 -11.454 2.967 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.009 5.369 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.949 5.220 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.306 3.655 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.062 3.945 -7.973 1.00 0.00 H new ATOM 705 N ASP A 48 -13.021 5.763 -5.338 1.00 0.00 N ATOM 706 CA ASP A 48 -14.071 6.731 -5.046 1.00 0.00 C ATOM 707 C ASP A 48 -13.929 7.276 -3.628 1.00 0.00 C ATOM 708 O ASP A 48 -14.667 8.173 -3.222 1.00 0.00 O ATOM 709 CB ASP A 48 -15.449 6.091 -5.225 1.00 0.00 C ATOM 710 CG ASP A 48 -16.565 6.956 -4.673 1.00 0.00 C ATOM 711 OD1 ASP A 48 -16.710 8.106 -5.138 1.00 0.00 O ATOM 712 OD2 ASP A 48 -17.294 6.482 -3.777 1.00 0.00 O ATOM 0 H ASP A 48 -13.118 4.875 -4.846 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.971 7.560 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.626 5.907 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.464 5.122 -4.726 1.00 0.00 H new ATOM 717 N GLU A 49 -12.977 6.726 -2.881 1.00 0.00 N ATOM 718 CA GLU A 49 -12.741 7.156 -1.508 1.00 0.00 C ATOM 719 C GLU A 49 -11.739 8.306 -1.463 1.00 0.00 C ATOM 720 O GLU A 49 -10.882 8.431 -2.337 1.00 0.00 O ATOM 721 CB GLU A 49 -12.230 5.986 -0.664 1.00 0.00 C ATOM 722 CG GLU A 49 -13.338 5.175 -0.014 1.00 0.00 C ATOM 723 CD GLU A 49 -12.806 4.102 0.916 1.00 0.00 C ATOM 724 OE1 GLU A 49 -12.331 3.063 0.414 1.00 0.00 O ATOM 725 OE2 GLU A 49 -12.865 4.303 2.148 1.00 0.00 O ATOM 0 H GLU A 49 -12.357 5.983 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.688 7.505 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.632 5.328 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.569 6.371 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.992 5.844 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.946 4.710 -0.790 1.00 0.00 H new ATOM 732 N ALA A 50 -11.855 9.144 -0.438 1.00 0.00 N ATOM 733 CA ALA A 50 -10.959 10.283 -0.277 1.00 0.00 C ATOM 734 C ALA A 50 -9.987 10.058 0.877 1.00 0.00 C ATOM 735 O ALA A 50 -8.851 10.530 0.844 1.00 0.00 O ATOM 736 CB ALA A 50 -11.760 11.557 -0.054 1.00 0.00 C ATOM 0 H ALA A 50 -12.561 9.056 0.293 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.377 10.388 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.078 12.399 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.409 11.733 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.367 11.452 0.845 1.00 0.00 H new ATOM 742 N ARG A 51 -10.442 9.336 1.896 1.00 0.00 N ATOM 743 CA ARG A 51 -9.613 9.051 3.060 1.00 0.00 C ATOM 744 C ARG A 51 -8.948 7.684 2.933 1.00 0.00 C ATOM 745 O ARG A 51 -9.593 6.640 3.033 1.00 0.00 O ATOM 746 CB ARG A 51 -10.454 9.104 4.337 1.00 0.00 C ATOM 747 CG ARG A 51 -11.156 10.435 4.550 1.00 0.00 C ATOM 748 CD ARG A 51 -11.863 10.484 5.895 1.00 0.00 C ATOM 749 NE ARG A 51 -10.967 10.907 6.969 1.00 0.00 N ATOM 750 CZ ARG A 51 -10.440 12.123 7.049 1.00 0.00 C ATOM 751 NH1 ARG A 51 -10.717 13.032 6.125 1.00 0.00 N ATOM 752 NH2 ARG A 51 -9.634 12.433 8.057 1.00 0.00 N ATOM 0 H ARG A 51 -11.380 8.938 1.939 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.834 9.811 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.201 8.311 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.811 8.901 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.429 11.245 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.880 10.598 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.708 11.171 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.268 9.499 6.128 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.734 10.231 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.337 12.798 5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.310 13.965 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.419 11.737 8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.230 13.367 8.118 1.00 0.00 H new ATOM 766 N PRO A 52 -7.626 7.687 2.705 1.00 0.00 N ATOM 767 CA PRO A 52 -6.844 6.456 2.559 1.00 0.00 C ATOM 768 C PRO A 52 -6.715 5.692 3.872 1.00 0.00 C ATOM 769 O PRO A 52 -6.522 6.287 4.931 1.00 0.00 O ATOM 770 CB PRO A 52 -5.475 6.958 2.096 1.00 0.00 C ATOM 771 CG PRO A 52 -5.389 8.354 2.609 1.00 0.00 C ATOM 772 CD PRO A 52 -6.792 8.894 2.574 1.00 0.00 C ATOM 0 HA PRO A 52 -7.312 5.755 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.671 6.340 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.390 6.930 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.988 8.374 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.723 8.957 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.972 9.597 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.995 9.424 1.643 1.00 0.00 H new ATOM 780 N ASN A 53 -6.823 4.369 3.795 1.00 0.00 N ATOM 781 CA ASN A 53 -6.718 3.524 4.979 1.00 0.00 C ATOM 782 C ASN A 53 -5.263 3.364 5.407 1.00 0.00 C ATOM 783 O ASN A 53 -4.504 2.608 4.799 1.00 0.00 O ATOM 784 CB ASN A 53 -7.335 2.150 4.706 1.00 0.00 C ATOM 785 CG ASN A 53 -8.848 2.200 4.629 1.00 0.00 C ATOM 786 OD1 ASN A 53 -9.524 2.447 5.628 1.00 0.00 O ATOM 787 ND2 ASN A 53 -9.388 1.966 3.438 1.00 0.00 N ATOM 0 H ASN A 53 -6.983 3.860 2.926 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.265 4.007 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.939 1.757 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.037 1.458 5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.401 1.987 3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.789 1.765 2.637 1.00 0.00 H new ATOM 794 N THR A 54 -4.878 4.082 6.458 1.00 0.00 N ATOM 795 CA THR A 54 -3.514 4.022 6.967 1.00 0.00 C ATOM 796 C THR A 54 -3.262 2.713 7.708 1.00 0.00 C ATOM 797 O THR A 54 -4.085 2.276 8.513 1.00 0.00 O ATOM 798 CB THR A 54 -3.215 5.200 7.913 1.00 0.00 C ATOM 799 OG1 THR A 54 -3.502 6.440 7.257 1.00 0.00 O ATOM 800 CG2 THR A 54 -1.761 5.181 8.358 1.00 0.00 C ATOM 0 H THR A 54 -5.493 4.712 6.973 1.00 0.00 H new ATOM 0 HA THR A 54 -2.851 4.082 6.104 1.00 0.00 H new ATOM 0 HB THR A 54 -3.849 5.100 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.311 7.184 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.574 6.022 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.553 4.248 8.883 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.112 5.259 7.485 1.00 0.00 H new ATOM 808 N ILE A 55 -2.119 2.094 7.432 1.00 0.00 N ATOM 809 CA ILE A 55 -1.758 0.836 8.074 1.00 0.00 C ATOM 810 C ILE A 55 -0.278 0.812 8.443 1.00 0.00 C ATOM 811 O ILE A 55 0.567 1.295 7.690 1.00 0.00 O ATOM 812 CB ILE A 55 -2.070 -0.369 7.167 1.00 0.00 C ATOM 813 CG1 ILE A 55 -3.535 -0.339 6.728 1.00 0.00 C ATOM 814 CG2 ILE A 55 -1.753 -1.670 7.889 1.00 0.00 C ATOM 815 CD1 ILE A 55 -3.856 -1.326 5.628 1.00 0.00 C ATOM 0 H ILE A 55 -1.427 2.443 6.768 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.357 0.761 8.981 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.443 -0.308 6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.169 -0.549 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.783 0.666 6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.978 -2.513 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.696 -1.690 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.357 -1.740 8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.912 -1.250 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.248 -1.104 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.640 -2.337 5.972 1.00 0.00 H new ATOM 827 N ASP A 56 0.027 0.245 9.605 1.00 0.00 N ATOM 828 CA ASP A 56 1.405 0.155 10.072 1.00 0.00 C ATOM 829 C ASP A 56 2.008 -1.204 9.728 1.00 0.00 C ATOM 830 O ASP A 56 1.349 -2.237 9.852 1.00 0.00 O ATOM 831 CB ASP A 56 1.470 0.387 11.583 1.00 0.00 C ATOM 832 CG ASP A 56 2.800 0.967 12.023 1.00 0.00 C ATOM 833 OD1 ASP A 56 3.035 2.167 11.772 1.00 0.00 O ATOM 834 OD2 ASP A 56 3.606 0.220 12.617 1.00 0.00 O ATOM 0 H ASP A 56 -0.661 -0.159 10.240 1.00 0.00 H new ATOM 0 HA ASP A 56 1.985 0.928 9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.667 1.062 11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.300 -0.557 12.100 1.00 0.00 H new ATOM 839 N PHE A 57 3.264 -1.195 9.293 1.00 0.00 N ATOM 840 CA PHE A 57 3.955 -2.427 8.928 1.00 0.00 C ATOM 841 C PHE A 57 5.399 -2.406 9.422 1.00 0.00 C ATOM 842 O PHE A 57 6.100 -1.406 9.281 1.00 0.00 O ATOM 843 CB PHE A 57 3.925 -2.623 7.411 1.00 0.00 C ATOM 844 CG PHE A 57 2.630 -3.193 6.906 1.00 0.00 C ATOM 845 CD1 PHE A 57 2.301 -4.518 7.144 1.00 0.00 C ATOM 846 CD2 PHE A 57 1.742 -2.404 6.194 1.00 0.00 C ATOM 847 CE1 PHE A 57 1.111 -5.045 6.680 1.00 0.00 C ATOM 848 CE2 PHE A 57 0.550 -2.925 5.728 1.00 0.00 C ATOM 849 CZ PHE A 57 0.234 -4.248 5.971 1.00 0.00 C ATOM 0 H PHE A 57 3.824 -0.349 9.185 1.00 0.00 H new ATOM 0 HA PHE A 57 3.438 -3.260 9.405 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.105 -1.664 6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.741 -3.285 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.983 -5.146 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.984 -1.369 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.867 -6.079 6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.134 -2.299 5.174 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.697 -4.658 5.607 1.00 0.00 H new ATOM 859 N GLY A 58 5.836 -3.520 10.001 1.00 0.00 N ATOM 860 CA GLY A 58 7.193 -3.610 10.507 1.00 0.00 C ATOM 861 C GLY A 58 8.191 -3.981 9.428 1.00 0.00 C ATOM 862 O GLY A 58 7.824 -4.556 8.403 1.00 0.00 O ATOM 0 H GLY A 58 5.274 -4.362 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.477 -2.654 10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.232 -4.352 11.304 1.00 0.00 H new ATOM 866 N LYS A 59 9.457 -3.650 9.657 1.00 0.00 N ATOM 867 CA LYS A 59 10.512 -3.951 8.697 1.00 0.00 C ATOM 868 C LYS A 59 10.443 -5.408 8.251 1.00 0.00 C ATOM 869 O LYS A 59 11.002 -5.778 7.218 1.00 0.00 O ATOM 870 CB LYS A 59 11.884 -3.658 9.307 1.00 0.00 C ATOM 871 CG LYS A 59 12.194 -4.493 10.538 1.00 0.00 C ATOM 872 CD LYS A 59 13.391 -3.946 11.297 1.00 0.00 C ATOM 873 CE LYS A 59 13.362 -4.363 12.759 1.00 0.00 C ATOM 874 NZ LYS A 59 14.451 -3.716 13.542 1.00 0.00 N ATOM 0 H LYS A 59 9.777 -3.173 10.500 1.00 0.00 H new ATOM 0 HA LYS A 59 10.366 -3.315 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.652 -3.836 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.936 -2.602 9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.324 -4.512 11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.391 -5.523 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.311 -4.303 10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.401 -2.858 11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.397 -4.100 13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.458 -5.446 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.397 -4.026 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.373 -3.987 13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.345 -2.682 13.496 1.00 0.00 H new ATOM 888 N ASP A 60 9.753 -6.229 9.035 1.00 0.00 N ATOM 889 CA ASP A 60 9.609 -7.646 8.719 1.00 0.00 C ATOM 890 C ASP A 60 8.483 -7.867 7.713 1.00 0.00 C ATOM 891 O ASP A 60 8.578 -8.728 6.839 1.00 0.00 O ATOM 892 CB ASP A 60 9.337 -8.449 9.992 1.00 0.00 C ATOM 893 CG ASP A 60 9.622 -9.927 9.816 1.00 0.00 C ATOM 894 OD1 ASP A 60 9.589 -10.405 8.662 1.00 0.00 O ATOM 895 OD2 ASP A 60 9.878 -10.607 10.832 1.00 0.00 O ATOM 0 H ASP A 60 9.285 -5.938 9.893 1.00 0.00 H new ATOM 0 HA ASP A 60 10.542 -7.990 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.951 -8.058 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.296 -8.315 10.287 1.00 0.00 H new ATOM 900 N ASP A 61 7.418 -7.084 7.845 1.00 0.00 N ATOM 901 CA ASP A 61 6.273 -7.194 6.948 1.00 0.00 C ATOM 902 C ASP A 61 6.628 -6.694 5.551 1.00 0.00 C ATOM 903 O ASP A 61 6.567 -5.495 5.277 1.00 0.00 O ATOM 904 CB ASP A 61 5.087 -6.402 7.501 1.00 0.00 C ATOM 905 CG ASP A 61 4.217 -7.232 8.425 1.00 0.00 C ATOM 906 OD1 ASP A 61 4.738 -7.720 9.449 1.00 0.00 O ATOM 907 OD2 ASP A 61 3.016 -7.393 8.123 1.00 0.00 O ATOM 0 H ASP A 61 7.323 -6.367 8.564 1.00 0.00 H new ATOM 0 HA ASP A 61 5.996 -8.246 6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.456 -5.530 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.483 -6.032 6.673 1.00 0.00 H new ATOM 912 N GLN A 62 6.998 -7.620 4.673 1.00 0.00 N ATOM 913 CA GLN A 62 7.364 -7.272 3.305 1.00 0.00 C ATOM 914 C GLN A 62 6.206 -7.534 2.348 1.00 0.00 C ATOM 915 O GLN A 62 6.318 -7.304 1.143 1.00 0.00 O ATOM 916 CB GLN A 62 8.594 -8.068 2.865 1.00 0.00 C ATOM 917 CG GLN A 62 9.876 -7.642 3.564 1.00 0.00 C ATOM 918 CD GLN A 62 11.089 -8.406 3.072 1.00 0.00 C ATOM 919 OE1 GLN A 62 11.623 -9.266 3.774 1.00 0.00 O ATOM 920 NE2 GLN A 62 11.533 -8.096 1.860 1.00 0.00 N ATOM 0 H GLN A 62 7.052 -8.616 4.884 1.00 0.00 H new ATOM 0 HA GLN A 62 7.600 -6.208 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.419 -9.127 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.723 -7.957 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.034 -6.575 3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.767 -7.793 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.060 -7.377 1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.347 -8.577 1.476 1.00 0.00 H new ATOM 929 N HIS A 63 5.093 -8.017 2.892 1.00 0.00 N ATOM 930 CA HIS A 63 3.913 -8.310 2.086 1.00 0.00 C ATOM 931 C HIS A 63 2.653 -8.308 2.946 1.00 0.00 C ATOM 932 O HIS A 63 2.728 -8.321 4.175 1.00 0.00 O ATOM 933 CB HIS A 63 4.068 -9.663 1.391 1.00 0.00 C ATOM 934 CG HIS A 63 4.865 -10.655 2.181 1.00 0.00 C ATOM 935 ND1 HIS A 63 6.184 -10.948 1.909 1.00 0.00 N ATOM 936 CD2 HIS A 63 4.521 -11.422 3.242 1.00 0.00 C ATOM 937 CE1 HIS A 63 6.618 -11.854 2.768 1.00 0.00 C ATOM 938 NE2 HIS A 63 5.628 -12.158 3.588 1.00 0.00 N ATOM 0 H HIS A 63 4.984 -8.214 3.887 1.00 0.00 H new ATOM 0 HA HIS A 63 3.817 -7.530 1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.079 -10.077 1.196 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.547 -9.512 0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.556 -11.450 3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.613 -12.274 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.678 -12.830 4.354 1.00 0.00 H new ATOM 947 N PHE A 64 1.496 -8.290 2.293 1.00 0.00 N ATOM 948 CA PHE A 64 0.220 -8.285 2.998 1.00 0.00 C ATOM 949 C PHE A 64 -0.854 -9.000 2.184 1.00 0.00 C ATOM 950 O PHE A 64 -0.822 -8.998 0.953 1.00 0.00 O ATOM 951 CB PHE A 64 -0.218 -6.848 3.292 1.00 0.00 C ATOM 952 CG PHE A 64 -1.334 -6.755 4.293 1.00 0.00 C ATOM 953 CD1 PHE A 64 -1.153 -7.194 5.594 1.00 0.00 C ATOM 954 CD2 PHE A 64 -2.563 -6.227 3.932 1.00 0.00 C ATOM 955 CE1 PHE A 64 -2.178 -7.110 6.517 1.00 0.00 C ATOM 956 CE2 PHE A 64 -3.592 -6.140 4.851 1.00 0.00 C ATOM 957 CZ PHE A 64 -3.399 -6.581 6.146 1.00 0.00 C ATOM 0 H PHE A 64 1.416 -8.279 1.276 1.00 0.00 H new ATOM 0 HA PHE A 64 0.351 -8.818 3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.638 -6.284 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.534 -6.375 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.200 -7.607 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.719 -5.880 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.025 -7.458 7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.546 -5.728 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.201 -6.512 6.866 1.00 0.00 H new ATOM 967 N THR A 65 -1.807 -9.611 2.880 1.00 0.00 N ATOM 968 CA THR A 65 -2.891 -10.332 2.224 1.00 0.00 C ATOM 969 C THR A 65 -4.220 -9.608 2.403 1.00 0.00 C ATOM 970 O THR A 65 -4.726 -9.484 3.519 1.00 0.00 O ATOM 971 CB THR A 65 -3.023 -11.766 2.770 1.00 0.00 C ATOM 972 OG1 THR A 65 -1.751 -12.423 2.733 1.00 0.00 O ATOM 973 CG2 THR A 65 -4.034 -12.563 1.958 1.00 0.00 C ATOM 0 H THR A 65 -1.850 -9.621 3.899 1.00 0.00 H new ATOM 0 HA THR A 65 -2.645 -10.376 1.163 1.00 0.00 H new ATOM 0 HB THR A 65 -3.372 -11.708 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.843 -13.334 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.110 -13.572 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.008 -12.076 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.709 -12.612 0.919 1.00 0.00 H new ATOM 981 N VAL A 66 -4.784 -9.132 1.297 1.00 0.00 N ATOM 982 CA VAL A 66 -6.056 -8.422 1.333 1.00 0.00 C ATOM 983 C VAL A 66 -7.165 -9.248 0.691 1.00 0.00 C ATOM 984 O VAL A 66 -7.063 -9.652 -0.468 1.00 0.00 O ATOM 985 CB VAL A 66 -5.961 -7.064 0.612 1.00 0.00 C ATOM 986 CG1 VAL A 66 -7.300 -6.343 0.653 1.00 0.00 C ATOM 987 CG2 VAL A 66 -4.867 -6.208 1.232 1.00 0.00 C ATOM 0 H VAL A 66 -4.379 -9.226 0.365 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.294 -8.253 2.383 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.704 -7.243 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.214 -5.386 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.057 -6.953 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.590 -6.173 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.813 -5.252 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.093 -6.035 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.910 -6.722 1.146 1.00 0.00 H new ATOM 997 N THR A 67 -8.226 -9.498 1.452 1.00 0.00 N ATOM 998 CA THR A 67 -9.355 -10.277 0.958 1.00 0.00 C ATOM 999 C THR A 67 -10.672 -9.546 1.194 1.00 0.00 C ATOM 1000 O THR A 67 -10.813 -8.794 2.157 1.00 0.00 O ATOM 1001 CB THR A 67 -9.420 -11.660 1.633 1.00 0.00 C ATOM 1002 OG1 THR A 67 -9.763 -11.515 3.016 1.00 0.00 O ATOM 1003 CG2 THR A 67 -8.089 -12.386 1.509 1.00 0.00 C ATOM 0 H THR A 67 -8.327 -9.172 2.413 1.00 0.00 H new ATOM 0 HA THR A 67 -9.204 -10.410 -0.113 1.00 0.00 H new ATOM 0 HB THR A 67 -10.186 -12.250 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.804 -12.399 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.159 -13.360 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.845 -12.521 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.307 -11.798 1.990 1.00 0.00 H new ATOM 1011 N GLY A 68 -11.636 -9.774 0.307 1.00 0.00 N ATOM 1012 CA GLY A 68 -12.930 -9.130 0.436 1.00 0.00 C ATOM 1013 C GLY A 68 -13.058 -7.903 -0.445 1.00 0.00 C ATOM 1014 O GLY A 68 -14.047 -7.172 -0.364 1.00 0.00 O ATOM 0 H GLY A 68 -11.544 -10.393 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.714 -9.842 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.088 -8.845 1.476 1.00 0.00 H new ATOM 1018 N LEU A 69 -12.057 -7.674 -1.287 1.00 0.00 N ATOM 1019 CA LEU A 69 -12.061 -6.526 -2.186 1.00 0.00 C ATOM 1020 C LEU A 69 -13.240 -6.593 -3.151 1.00 0.00 C ATOM 1021 O LEU A 69 -13.437 -7.596 -3.838 1.00 0.00 O ATOM 1022 CB LEU A 69 -10.749 -6.462 -2.970 1.00 0.00 C ATOM 1023 CG LEU A 69 -9.485 -6.213 -2.145 1.00 0.00 C ATOM 1024 CD1 LEU A 69 -8.244 -6.360 -3.012 1.00 0.00 C ATOM 1025 CD2 LEU A 69 -9.530 -4.834 -1.505 1.00 0.00 C ATOM 0 H LEU A 69 -11.232 -8.268 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.161 -5.624 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.626 -7.400 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.833 -5.672 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.439 -6.959 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.355 -6.179 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.205 -7.369 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.282 -5.637 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.623 -4.674 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.600 -4.074 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.399 -4.765 -0.851 1.00 0.00 H new ATOM 1037 N HIS A 70 -14.021 -5.519 -3.199 1.00 0.00 N ATOM 1038 CA HIS A 70 -15.180 -5.455 -4.082 1.00 0.00 C ATOM 1039 C HIS A 70 -14.761 -5.610 -5.541 1.00 0.00 C ATOM 1040 O HIS A 70 -14.000 -4.798 -6.069 1.00 0.00 O ATOM 1041 CB HIS A 70 -15.922 -4.132 -3.890 1.00 0.00 C ATOM 1042 CG HIS A 70 -16.973 -4.183 -2.825 1.00 0.00 C ATOM 1043 ND1 HIS A 70 -18.236 -3.653 -2.987 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -16.944 -4.709 -1.578 1.00 0.00 C ATOM 1045 CE1 HIS A 70 -18.937 -3.848 -1.884 1.00 0.00 C ATOM 1046 NE2 HIS A 70 -18.177 -4.487 -1.014 1.00 0.00 N ATOM 0 H HIS A 70 -13.872 -4.681 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.847 -6.278 -3.825 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.201 -3.354 -3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.386 -3.845 -4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.108 -5.210 -1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.959 -3.537 -1.722 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.459 -4.770 -0.076 1.00 0.00 H new ATOM 1055 N LYS A 71 -15.260 -6.658 -6.187 1.00 0.00 N ATOM 1056 CA LYS A 71 -14.939 -6.920 -7.585 1.00 0.00 C ATOM 1057 C LYS A 71 -15.495 -5.822 -8.486 1.00 0.00 C ATOM 1058 O LYS A 71 -16.540 -5.241 -8.200 1.00 0.00 O ATOM 1059 CB LYS A 71 -15.498 -8.278 -8.012 1.00 0.00 C ATOM 1060 CG LYS A 71 -17.016 -8.332 -8.032 1.00 0.00 C ATOM 1061 CD LYS A 71 -17.527 -9.313 -9.074 1.00 0.00 C ATOM 1062 CE LYS A 71 -18.871 -9.901 -8.675 1.00 0.00 C ATOM 1063 NZ LYS A 71 -19.985 -8.937 -8.890 1.00 0.00 N ATOM 0 H LYS A 71 -15.889 -7.341 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.854 -6.933 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.121 -8.520 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.124 -9.045 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.383 -8.622 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.413 -7.339 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.621 -8.808 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.802 -10.116 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.057 -10.806 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.842 -10.194 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.884 -9.376 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.821 -8.084 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.030 -8.677 -9.896 1.00 0.00 H new ATOM 1077 N GLY A 72 -14.789 -5.545 -9.578 1.00 0.00 N ATOM 1078 CA GLY A 72 -15.229 -4.519 -10.506 1.00 0.00 C ATOM 1079 C GLY A 72 -15.103 -3.123 -9.928 1.00 0.00 C ATOM 1080 O GLY A 72 -15.876 -2.228 -10.271 1.00 0.00 O ATOM 0 H GLY A 72 -13.920 -6.013 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.641 -4.585 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.268 -4.703 -10.781 1.00 0.00 H new ATOM 1084 N THR A 73 -14.126 -2.935 -9.047 1.00 0.00 N ATOM 1085 CA THR A 73 -13.902 -1.639 -8.418 1.00 0.00 C ATOM 1086 C THR A 73 -12.423 -1.271 -8.427 1.00 0.00 C ATOM 1087 O THR A 73 -11.577 -2.042 -7.972 1.00 0.00 O ATOM 1088 CB THR A 73 -14.415 -1.624 -6.965 1.00 0.00 C ATOM 1089 OG1 THR A 73 -15.826 -1.862 -6.941 1.00 0.00 O ATOM 1090 CG2 THR A 73 -14.108 -0.292 -6.297 1.00 0.00 C ATOM 0 H THR A 73 -13.477 -3.664 -8.752 1.00 0.00 H new ATOM 0 HA THR A 73 -14.459 -0.905 -9.000 1.00 0.00 H new ATOM 0 HB THR A 73 -13.905 -2.415 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.144 -1.852 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.479 -0.305 -5.272 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.030 -0.128 -6.290 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.594 0.512 -6.849 1.00 0.00 H new ATOM 1098 N THR A 74 -12.115 -0.087 -8.948 1.00 0.00 N ATOM 1099 CA THR A 74 -10.738 0.383 -9.016 1.00 0.00 C ATOM 1100 C THR A 74 -10.229 0.797 -7.641 1.00 0.00 C ATOM 1101 O THR A 74 -10.965 1.385 -6.847 1.00 0.00 O ATOM 1102 CB THR A 74 -10.598 1.574 -9.983 1.00 0.00 C ATOM 1103 OG1 THR A 74 -11.113 1.221 -11.272 1.00 0.00 O ATOM 1104 CG2 THR A 74 -9.143 1.999 -10.111 1.00 0.00 C ATOM 0 H THR A 74 -12.802 0.564 -9.329 1.00 0.00 H new ATOM 0 HA THR A 74 -10.139 -0.449 -9.386 1.00 0.00 H new ATOM 0 HB THR A 74 -11.170 2.410 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.022 1.984 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.069 2.841 -10.799 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.763 2.295 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.553 1.166 -10.493 1.00 0.00 H new ATOM 1112 N TYR A 75 -8.967 0.489 -7.364 1.00 0.00 N ATOM 1113 CA TYR A 75 -8.360 0.828 -6.082 1.00 0.00 C ATOM 1114 C TYR A 75 -7.028 1.544 -6.283 1.00 0.00 C ATOM 1115 O TYR A 75 -6.453 1.515 -7.371 1.00 0.00 O ATOM 1116 CB TYR A 75 -8.153 -0.433 -5.243 1.00 0.00 C ATOM 1117 CG TYR A 75 -9.395 -0.880 -4.504 1.00 0.00 C ATOM 1118 CD1 TYR A 75 -10.344 -1.683 -5.124 1.00 0.00 C ATOM 1119 CD2 TYR A 75 -9.617 -0.500 -3.186 1.00 0.00 C ATOM 1120 CE1 TYR A 75 -11.481 -2.092 -4.454 1.00 0.00 C ATOM 1121 CE2 TYR A 75 -10.750 -0.906 -2.508 1.00 0.00 C ATOM 1122 CZ TYR A 75 -11.679 -1.702 -3.146 1.00 0.00 C ATOM 1123 OH TYR A 75 -12.808 -2.109 -2.474 1.00 0.00 O ATOM 0 H TYR A 75 -8.344 0.005 -8.010 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.037 1.500 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.817 -1.241 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.356 -0.252 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.190 -1.993 -6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.892 0.123 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -12.211 -2.714 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.908 -0.602 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 75 -12.794 -1.749 -1.563 1.00 0.00 H new ATOM 1133 N ILE A 76 -6.543 2.185 -5.225 1.00 0.00 N ATOM 1134 CA ILE A 76 -5.278 2.907 -5.283 1.00 0.00 C ATOM 1135 C ILE A 76 -4.398 2.570 -4.084 1.00 0.00 C ATOM 1136 O ILE A 76 -4.633 3.046 -2.974 1.00 0.00 O ATOM 1137 CB ILE A 76 -5.501 4.430 -5.330 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -6.628 4.772 -6.307 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -4.215 5.141 -5.726 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -7.289 6.103 -6.024 1.00 0.00 C ATOM 0 H ILE A 76 -7.007 2.219 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.777 2.593 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.791 4.771 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.228 4.782 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.382 3.986 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.388 6.217 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.437 4.918 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.898 4.798 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.078 6.280 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.719 6.090 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.547 6.899 -6.090 1.00 0.00 H new ATOM 1152 N PHE A 77 -3.380 1.747 -4.317 1.00 0.00 N ATOM 1153 CA PHE A 77 -2.463 1.347 -3.257 1.00 0.00 C ATOM 1154 C PHE A 77 -1.279 2.305 -3.172 1.00 0.00 C ATOM 1155 O PHE A 77 -0.801 2.810 -4.188 1.00 0.00 O ATOM 1156 CB PHE A 77 -1.963 -0.079 -3.497 1.00 0.00 C ATOM 1157 CG PHE A 77 -2.993 -1.133 -3.202 1.00 0.00 C ATOM 1158 CD1 PHE A 77 -3.876 -1.550 -4.184 1.00 0.00 C ATOM 1159 CD2 PHE A 77 -3.076 -1.705 -1.943 1.00 0.00 C ATOM 1160 CE1 PHE A 77 -4.825 -2.519 -3.917 1.00 0.00 C ATOM 1161 CE2 PHE A 77 -4.022 -2.675 -1.670 1.00 0.00 C ATOM 1162 CZ PHE A 77 -4.898 -3.082 -2.658 1.00 0.00 C ATOM 0 H PHE A 77 -3.170 1.345 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.004 1.381 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.645 -0.174 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.085 -0.257 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.823 -1.113 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.394 -1.390 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.508 -2.835 -4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.076 -3.115 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.639 -3.839 -2.446 1.00 0.00 H new ATOM 1172 N ARG A 78 -0.810 2.551 -1.952 1.00 0.00 N ATOM 1173 CA ARG A 78 0.316 3.450 -1.734 1.00 0.00 C ATOM 1174 C ARG A 78 1.205 2.942 -0.602 1.00 0.00 C ATOM 1175 O ARG A 78 0.714 2.490 0.433 1.00 0.00 O ATOM 1176 CB ARG A 78 -0.183 4.859 -1.411 1.00 0.00 C ATOM 1177 CG ARG A 78 -0.728 5.604 -2.618 1.00 0.00 C ATOM 1178 CD ARG A 78 -0.927 7.082 -2.318 1.00 0.00 C ATOM 1179 NE ARG A 78 -1.702 7.752 -3.359 1.00 0.00 N ATOM 1180 CZ ARG A 78 -2.378 8.878 -3.162 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -2.375 9.457 -1.969 1.00 0.00 N ATOM 1182 NH2 ARG A 78 -3.060 9.427 -4.159 1.00 0.00 N ATOM 0 H ARG A 78 -1.193 2.140 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 78 0.905 3.482 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.963 4.794 -0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.635 5.435 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.041 5.491 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.677 5.162 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.435 7.192 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.045 7.566 -2.221 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.725 7.332 -4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.853 9.038 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.895 10.322 -1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.065 8.984 -5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.579 10.292 -4.007 1.00 0.00 H new ATOM 1196 N LEU A 79 2.516 3.019 -0.806 1.00 0.00 N ATOM 1197 CA LEU A 79 3.474 2.567 0.196 1.00 0.00 C ATOM 1198 C LEU A 79 4.589 3.591 0.385 1.00 0.00 C ATOM 1199 O LEU A 79 4.814 4.443 -0.474 1.00 0.00 O ATOM 1200 CB LEU A 79 4.069 1.218 -0.210 1.00 0.00 C ATOM 1201 CG LEU A 79 4.885 0.494 0.861 1.00 0.00 C ATOM 1202 CD1 LEU A 79 3.986 0.038 2.000 1.00 0.00 C ATOM 1203 CD2 LEU A 79 5.627 -0.690 0.257 1.00 0.00 C ATOM 0 H LEU A 79 2.939 3.390 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 79 2.945 2.454 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.255 0.564 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.706 1.372 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 79 5.620 1.191 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.584 -0.475 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.502 0.904 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.227 -0.642 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.203 -1.193 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.909 -1.388 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.302 -0.337 -0.523 1.00 0.00 H new ATOM 1215 N ALA A 80 5.284 3.500 1.514 1.00 0.00 N ATOM 1216 CA ALA A 80 6.378 4.416 1.814 1.00 0.00 C ATOM 1217 C ALA A 80 7.383 3.777 2.766 1.00 0.00 C ATOM 1218 O ALA A 80 7.011 3.005 3.650 1.00 0.00 O ATOM 1219 CB ALA A 80 5.837 5.709 2.404 1.00 0.00 C ATOM 0 H ALA A 80 5.109 2.801 2.236 1.00 0.00 H new ATOM 0 HA ALA A 80 6.895 4.644 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.665 6.383 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.164 6.181 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.294 5.490 3.324 1.00 0.00 H new ATOM 1225 N ALA A 81 8.658 4.104 2.580 1.00 0.00 N ATOM 1226 CA ALA A 81 9.716 3.563 3.424 1.00 0.00 C ATOM 1227 C ALA A 81 9.981 4.470 4.621 1.00 0.00 C ATOM 1228 O ALA A 81 9.832 5.689 4.535 1.00 0.00 O ATOM 1229 CB ALA A 81 10.989 3.369 2.614 1.00 0.00 C ATOM 0 H ALA A 81 8.983 4.741 1.852 1.00 0.00 H new ATOM 0 HA ALA A 81 9.387 2.595 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.771 2.964 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.797 2.675 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.312 4.328 2.209 1.00 0.00 H new ATOM 1235 N LYS A 82 10.375 3.867 5.738 1.00 0.00 N ATOM 1236 CA LYS A 82 10.662 4.620 6.953 1.00 0.00 C ATOM 1237 C LYS A 82 12.056 4.293 7.479 1.00 0.00 C ATOM 1238 O LYS A 82 12.360 3.140 7.781 1.00 0.00 O ATOM 1239 CB LYS A 82 9.615 4.313 8.026 1.00 0.00 C ATOM 1240 CG LYS A 82 9.386 5.459 8.997 1.00 0.00 C ATOM 1241 CD LYS A 82 8.072 5.302 9.744 1.00 0.00 C ATOM 1242 CE LYS A 82 8.121 4.137 10.721 1.00 0.00 C ATOM 1243 NZ LYS A 82 8.760 4.520 12.010 1.00 0.00 N ATOM 0 H LYS A 82 10.503 2.859 5.827 1.00 0.00 H new ATOM 0 HA LYS A 82 10.625 5.682 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.671 4.065 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.927 3.431 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.209 5.502 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.386 6.404 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.847 6.222 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.263 5.146 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.109 3.779 10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.673 3.311 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.774 3.699 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.734 4.838 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.219 5.291 12.450 1.00 0.00 H new ATOM 1257 N ASN A 83 12.898 5.316 7.587 1.00 0.00 N ATOM 1258 CA ASN A 83 14.259 5.136 8.078 1.00 0.00 C ATOM 1259 C ASN A 83 14.482 5.927 9.364 1.00 0.00 C ATOM 1260 O ASN A 83 13.560 6.551 9.889 1.00 0.00 O ATOM 1261 CB ASN A 83 15.269 5.574 7.015 1.00 0.00 C ATOM 1262 CG ASN A 83 15.140 7.044 6.667 1.00 0.00 C ATOM 1263 OD1 ASN A 83 14.436 7.795 7.342 1.00 0.00 O ATOM 1264 ND2 ASN A 83 15.822 7.462 5.606 1.00 0.00 N ATOM 0 H ASN A 83 12.662 6.277 7.341 1.00 0.00 H new ATOM 0 HA ASN A 83 14.404 4.077 8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.279 5.375 7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.127 4.976 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.774 8.441 5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.393 6.804 5.075 1.00 0.00 H new ATOM 1271 N ARG A 84 15.713 5.896 9.865 1.00 0.00 N ATOM 1272 CA ARG A 84 16.058 6.609 11.089 1.00 0.00 C ATOM 1273 C ARG A 84 15.507 8.031 11.063 1.00 0.00 C ATOM 1274 O ARG A 84 15.080 8.561 12.089 1.00 0.00 O ATOM 1275 CB ARG A 84 17.576 6.642 11.275 1.00 0.00 C ATOM 1276 CG ARG A 84 18.008 6.831 12.720 1.00 0.00 C ATOM 1277 CD ARG A 84 18.055 5.506 13.466 1.00 0.00 C ATOM 1278 NE ARG A 84 18.274 5.691 14.898 1.00 0.00 N ATOM 1279 CZ ARG A 84 17.364 6.201 15.720 1.00 0.00 C ATOM 1280 NH1 ARG A 84 16.179 6.574 15.255 1.00 0.00 N ATOM 1281 NH2 ARG A 84 17.638 6.338 17.011 1.00 0.00 N ATOM 0 H ARG A 84 16.488 5.385 9.442 1.00 0.00 H new ATOM 0 HA ARG A 84 15.608 6.078 11.928 1.00 0.00 H new ATOM 0 HB2 ARG A 84 18.000 5.712 10.896 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.990 7.450 10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.991 7.301 12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.317 7.508 13.222 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.120 4.968 13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.852 4.887 13.055 1.00 0.00 H new ATOM 0 HE ARG A 84 19.175 5.413 15.288 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.964 6.469 14.263 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.482 6.965 15.889 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.548 6.052 17.372 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.939 6.730 17.642 1.00 0.00 H new ATOM 1295 N ALA A 85 15.519 8.644 9.884 1.00 0.00 N ATOM 1296 CA ALA A 85 15.020 10.004 9.724 1.00 0.00 C ATOM 1297 C ALA A 85 13.495 10.030 9.700 1.00 0.00 C ATOM 1298 O ALA A 85 12.874 11.001 10.130 1.00 0.00 O ATOM 1299 CB ALA A 85 15.580 10.626 8.454 1.00 0.00 C ATOM 0 H ALA A 85 15.869 8.220 9.025 1.00 0.00 H new ATOM 0 HA ALA A 85 15.354 10.590 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.199 11.642 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.668 10.651 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.275 10.032 7.593 1.00 0.00 H new ATOM 1305 N GLY A 86 12.898 8.955 9.193 1.00 0.00 N ATOM 1306 CA GLY A 86 11.451 8.876 9.122 1.00 0.00 C ATOM 1307 C GLY A 86 10.961 8.437 7.756 1.00 0.00 C ATOM 1308 O GLY A 86 11.730 7.909 6.952 1.00 0.00 O ATOM 0 H GLY A 86 13.390 8.139 8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.091 8.176 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.025 9.850 9.362 1.00 0.00 H new ATOM 1312 N LEU A 87 9.677 8.654 7.492 1.00 0.00 N ATOM 1313 CA LEU A 87 9.084 8.276 6.214 1.00 0.00 C ATOM 1314 C LEU A 87 9.616 9.154 5.086 1.00 0.00 C ATOM 1315 O LEU A 87 9.965 10.314 5.300 1.00 0.00 O ATOM 1316 CB LEU A 87 7.560 8.384 6.284 1.00 0.00 C ATOM 1317 CG LEU A 87 6.885 7.617 7.422 1.00 0.00 C ATOM 1318 CD1 LEU A 87 5.615 8.328 7.864 1.00 0.00 C ATOM 1319 CD2 LEU A 87 6.578 6.190 6.994 1.00 0.00 C ATOM 0 H LEU A 87 9.027 9.090 8.146 1.00 0.00 H new ATOM 0 HA LEU A 87 9.359 7.242 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.294 9.437 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.147 8.031 5.339 1.00 0.00 H new ATOM 0 HG LEU A 87 7.571 7.582 8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.148 7.768 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.862 9.331 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.924 8.395 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.098 5.659 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.911 6.204 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.505 5.683 6.727 1.00 0.00 H new ATOM 1331 N GLY A 88 9.674 8.592 3.882 1.00 0.00 N ATOM 1332 CA GLY A 88 10.162 9.339 2.737 1.00 0.00 C ATOM 1333 C GLY A 88 9.139 9.424 1.622 1.00 0.00 C ATOM 1334 O GLY A 88 7.964 9.691 1.869 1.00 0.00 O ATOM 0 H GLY A 88 9.392 7.633 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.435 10.346 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.069 8.867 2.359 1.00 0.00 H new ATOM 1338 N GLU A 89 9.589 9.200 0.391 1.00 0.00 N ATOM 1339 CA GLU A 89 8.703 9.256 -0.767 1.00 0.00 C ATOM 1340 C GLU A 89 7.622 8.183 -0.677 1.00 0.00 C ATOM 1341 O GLU A 89 7.650 7.332 0.212 1.00 0.00 O ATOM 1342 CB GLU A 89 9.505 9.080 -2.058 1.00 0.00 C ATOM 1343 CG GLU A 89 10.187 10.354 -2.529 1.00 0.00 C ATOM 1344 CD GLU A 89 9.269 11.237 -3.352 1.00 0.00 C ATOM 1345 OE1 GLU A 89 8.531 12.047 -2.753 1.00 0.00 O ATOM 1346 OE2 GLU A 89 9.289 11.118 -4.595 1.00 0.00 O ATOM 0 H GLU A 89 10.560 8.978 0.170 1.00 0.00 H new ATOM 0 HA GLU A 89 8.221 10.233 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.260 8.309 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.839 8.722 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.542 10.913 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.064 10.094 -3.123 1.00 0.00 H new ATOM 1353 N GLU A 90 6.669 8.232 -1.603 1.00 0.00 N ATOM 1354 CA GLU A 90 5.578 7.266 -1.627 1.00 0.00 C ATOM 1355 C GLU A 90 5.275 6.822 -3.055 1.00 0.00 C ATOM 1356 O GLU A 90 5.338 7.619 -3.991 1.00 0.00 O ATOM 1357 CB GLU A 90 4.322 7.866 -0.991 1.00 0.00 C ATOM 1358 CG GLU A 90 3.972 9.247 -1.520 1.00 0.00 C ATOM 1359 CD GLU A 90 2.484 9.533 -1.465 1.00 0.00 C ATOM 1360 OE1 GLU A 90 1.963 9.752 -0.351 1.00 0.00 O ATOM 1361 OE2 GLU A 90 1.840 9.538 -2.535 1.00 0.00 O ATOM 0 H GLU A 90 6.631 8.930 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 90 5.887 6.393 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.481 7.195 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.464 7.925 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.505 10.000 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.317 9.336 -2.550 1.00 0.00 H new ATOM 1368 N PHE A 91 4.947 5.544 -3.214 1.00 0.00 N ATOM 1369 CA PHE A 91 4.637 4.992 -4.528 1.00 0.00 C ATOM 1370 C PHE A 91 3.128 4.903 -4.737 1.00 0.00 C ATOM 1371 O PHE A 91 2.366 4.758 -3.782 1.00 0.00 O ATOM 1372 CB PHE A 91 5.268 3.607 -4.685 1.00 0.00 C ATOM 1373 CG PHE A 91 5.194 3.070 -6.086 1.00 0.00 C ATOM 1374 CD1 PHE A 91 4.033 2.479 -6.555 1.00 0.00 C ATOM 1375 CD2 PHE A 91 6.287 3.158 -6.933 1.00 0.00 C ATOM 1376 CE1 PHE A 91 3.963 1.984 -7.844 1.00 0.00 C ATOM 1377 CE2 PHE A 91 6.223 2.664 -8.223 1.00 0.00 C ATOM 1378 CZ PHE A 91 5.059 2.078 -8.679 1.00 0.00 C ATOM 0 H PHE A 91 4.889 4.871 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 91 5.052 5.660 -5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.313 3.655 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.769 2.911 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.173 2.404 -5.907 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.199 3.618 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.052 1.524 -8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.082 2.736 -8.873 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.006 1.694 -9.687 1.00 0.00 H new ATOM 1388 N GLU A 92 2.705 4.992 -5.995 1.00 0.00 N ATOM 1389 CA GLU A 92 1.287 4.923 -6.329 1.00 0.00 C ATOM 1390 C GLU A 92 1.029 3.850 -7.384 1.00 0.00 C ATOM 1391 O GLU A 92 1.811 3.683 -8.321 1.00 0.00 O ATOM 1392 CB GLU A 92 0.793 6.280 -6.834 1.00 0.00 C ATOM 1393 CG GLU A 92 -0.649 6.263 -7.313 1.00 0.00 C ATOM 1394 CD GLU A 92 -0.806 5.605 -8.670 1.00 0.00 C ATOM 1395 OE1 GLU A 92 0.109 5.749 -9.507 1.00 0.00 O ATOM 1396 OE2 GLU A 92 -1.843 4.947 -8.895 1.00 0.00 O ATOM 0 H GLU A 92 3.323 5.112 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 92 0.739 4.659 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.893 7.014 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.435 6.610 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.264 5.735 -6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.023 7.286 -7.364 1.00 0.00 H new ATOM 1403 N LYS A 93 -0.073 3.125 -7.225 1.00 0.00 N ATOM 1404 CA LYS A 93 -0.436 2.069 -8.162 1.00 0.00 C ATOM 1405 C LYS A 93 -1.952 1.944 -8.278 1.00 0.00 C ATOM 1406 O LYS A 93 -2.658 1.888 -7.272 1.00 0.00 O ATOM 1407 CB LYS A 93 0.164 0.734 -7.715 1.00 0.00 C ATOM 1408 CG LYS A 93 0.478 -0.207 -8.866 1.00 0.00 C ATOM 1409 CD LYS A 93 -0.789 -0.749 -9.505 1.00 0.00 C ATOM 1410 CE LYS A 93 -0.485 -1.885 -10.469 1.00 0.00 C ATOM 1411 NZ LYS A 93 0.014 -1.382 -11.779 1.00 0.00 N ATOM 0 H LYS A 93 -0.731 3.250 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.034 2.331 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.078 0.926 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.531 0.243 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.069 0.319 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.087 -1.035 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.467 -1.101 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.302 0.053 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.259 -2.547 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.386 -2.478 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.210 -2.187 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.706 -0.770 -12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.888 -0.837 -11.632 1.00 0.00 H new ATOM 1425 N GLU A 94 -2.444 1.898 -9.512 1.00 0.00 N ATOM 1426 CA GLU A 94 -3.877 1.778 -9.759 1.00 0.00 C ATOM 1427 C GLU A 94 -4.215 0.412 -10.349 1.00 0.00 C ATOM 1428 O GLU A 94 -3.581 -0.037 -11.304 1.00 0.00 O ATOM 1429 CB GLU A 94 -4.348 2.885 -10.704 1.00 0.00 C ATOM 1430 CG GLU A 94 -5.858 2.944 -10.868 1.00 0.00 C ATOM 1431 CD GLU A 94 -6.294 3.972 -11.893 1.00 0.00 C ATOM 1432 OE1 GLU A 94 -6.316 5.174 -11.556 1.00 0.00 O ATOM 1433 OE2 GLU A 94 -6.614 3.574 -13.033 1.00 0.00 O ATOM 0 H GLU A 94 -1.872 1.942 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.394 1.880 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.994 3.846 -10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.890 2.735 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.226 1.962 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.315 3.179 -9.907 1.00 0.00 H new ATOM 1440 N ILE A 95 -5.217 -0.243 -9.772 1.00 0.00 N ATOM 1441 CA ILE A 95 -5.639 -1.557 -10.240 1.00 0.00 C ATOM 1442 C ILE A 95 -7.160 -1.665 -10.275 1.00 0.00 C ATOM 1443 O ILE A 95 -7.868 -0.725 -9.913 1.00 0.00 O ATOM 1444 CB ILE A 95 -5.077 -2.680 -9.349 1.00 0.00 C ATOM 1445 CG1 ILE A 95 -5.763 -2.668 -7.981 1.00 0.00 C ATOM 1446 CG2 ILE A 95 -3.571 -2.528 -9.193 1.00 0.00 C ATOM 1447 CD1 ILE A 95 -5.671 -1.336 -7.271 1.00 0.00 C ATOM 0 H ILE A 95 -5.751 0.115 -8.980 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.245 -1.674 -11.249 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.279 -3.638 -9.827 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.813 -2.931 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.315 -3.438 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.188 -3.329 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.097 -2.581 -10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.348 -1.565 -8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.178 -1.401 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.623 -1.080 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.145 -0.566 -7.880 1.00 0.00 H new ATOM 1459 N ARG A 96 -7.656 -2.818 -10.713 1.00 0.00 N ATOM 1460 CA ARG A 96 -9.093 -3.049 -10.795 1.00 0.00 C ATOM 1461 C ARG A 96 -9.419 -4.525 -10.587 1.00 0.00 C ATOM 1462 O ARG A 96 -8.996 -5.382 -11.365 1.00 0.00 O ATOM 1463 CB ARG A 96 -9.630 -2.583 -12.150 1.00 0.00 C ATOM 1464 CG ARG A 96 -11.145 -2.635 -12.255 1.00 0.00 C ATOM 1465 CD ARG A 96 -11.657 -1.734 -13.368 1.00 0.00 C ATOM 1466 NE ARG A 96 -13.061 -1.991 -13.678 1.00 0.00 N ATOM 1467 CZ ARG A 96 -13.472 -2.997 -14.443 1.00 0.00 C ATOM 1468 NH1 ARG A 96 -12.592 -3.835 -14.971 1.00 0.00 N ATOM 1469 NH2 ARG A 96 -14.767 -3.166 -14.679 1.00 0.00 N ATOM 0 H ARG A 96 -7.084 -3.606 -11.016 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.574 -2.473 -10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.297 -1.561 -12.332 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.198 -3.204 -12.935 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.463 -3.661 -12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.587 -2.331 -11.306 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.535 -0.691 -13.075 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.054 -1.886 -14.263 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.764 -1.364 -13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.596 -3.709 -14.791 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.911 -4.606 -15.558 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.447 -2.524 -14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.082 -3.938 -15.266 1.00 0.00 H new ATOM 1483 N THR A 97 -10.173 -4.817 -9.532 1.00 0.00 N ATOM 1484 CA THR A 97 -10.554 -6.189 -9.220 1.00 0.00 C ATOM 1485 C THR A 97 -11.350 -6.811 -10.361 1.00 0.00 C ATOM 1486 O THR A 97 -12.138 -6.146 -11.035 1.00 0.00 O ATOM 1487 CB THR A 97 -11.389 -6.260 -7.928 1.00 0.00 C ATOM 1488 OG1 THR A 97 -12.368 -5.216 -7.919 1.00 0.00 O ATOM 1489 CG2 THR A 97 -10.498 -6.137 -6.701 1.00 0.00 C ATOM 0 H THR A 97 -10.532 -4.121 -8.879 1.00 0.00 H new ATOM 0 HA THR A 97 -9.630 -6.749 -9.078 1.00 0.00 H new ATOM 0 HB THR A 97 -11.890 -7.227 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.626 -5.017 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 97 -11.110 -6.190 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.773 -6.950 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.972 -5.182 -6.727 1.00 0.00 H new ATOM 1497 N PRO A 98 -11.143 -8.117 -10.586 1.00 0.00 N ATOM 1498 CA PRO A 98 -11.834 -8.858 -11.645 1.00 0.00 C ATOM 1499 C PRO A 98 -13.318 -9.044 -11.349 1.00 0.00 C ATOM 1500 O PRO A 98 -13.688 -9.652 -10.345 1.00 0.00 O ATOM 1501 CB PRO A 98 -11.118 -10.210 -11.658 1.00 0.00 C ATOM 1502 CG PRO A 98 -10.567 -10.360 -10.282 1.00 0.00 C ATOM 1503 CD PRO A 98 -10.218 -8.971 -9.822 1.00 0.00 C ATOM 0 HA PRO A 98 -11.798 -8.333 -12.599 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.806 -11.020 -11.899 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.326 -10.231 -12.406 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.298 -10.819 -9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.687 -11.004 -10.282 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.359 -8.856 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.177 -8.727 -10.034 1.00 0.00 H new ATOM 1511 N GLU A 99 -14.164 -8.517 -12.229 1.00 0.00 N ATOM 1512 CA GLU A 99 -15.608 -8.626 -12.060 1.00 0.00 C ATOM 1513 C GLU A 99 -16.133 -9.914 -12.687 1.00 0.00 C ATOM 1514 O GLU A 99 -15.458 -10.540 -13.505 1.00 0.00 O ATOM 1515 CB GLU A 99 -16.309 -7.419 -12.685 1.00 0.00 C ATOM 1516 CG GLU A 99 -15.841 -7.106 -14.096 1.00 0.00 C ATOM 1517 CD GLU A 99 -16.918 -6.447 -14.936 1.00 0.00 C ATOM 1518 OE1 GLU A 99 -17.026 -5.204 -14.896 1.00 0.00 O ATOM 1519 OE2 GLU A 99 -17.653 -7.177 -15.635 1.00 0.00 O ATOM 0 H GLU A 99 -13.874 -8.011 -13.066 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.823 -8.649 -10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -17.384 -7.601 -12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -16.142 -6.546 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.971 -6.451 -14.049 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.520 -8.028 -14.581 1.00 0.00 H new ATOM 1526 N ASP A 100 -17.342 -10.305 -12.297 1.00 0.00 N ATOM 1527 CA ASP A 100 -17.959 -11.518 -12.820 1.00 0.00 C ATOM 1528 C ASP A 100 -18.877 -11.197 -13.996 1.00 0.00 C ATOM 1529 O ASP A 100 -19.446 -10.108 -14.073 1.00 0.00 O ATOM 1530 CB ASP A 100 -18.749 -12.229 -11.720 1.00 0.00 C ATOM 1531 CG ASP A 100 -19.368 -13.528 -12.198 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -18.633 -14.531 -12.303 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -20.587 -13.540 -12.470 1.00 0.00 O ATOM 0 H ASP A 100 -17.914 -9.799 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 100 -17.165 -12.178 -13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -18.089 -12.433 -10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -19.535 -11.568 -11.356 1.00 0.00 H new ATOM 1538 N LEU A 101 -19.015 -12.151 -14.909 1.00 0.00 N ATOM 1539 CA LEU A 101 -19.863 -11.971 -16.083 1.00 0.00 C ATOM 1540 C LEU A 101 -21.237 -12.593 -15.862 1.00 0.00 C ATOM 1541 O LEU A 101 -21.357 -13.801 -15.657 1.00 0.00 O ATOM 1542 CB LEU A 101 -19.201 -12.591 -17.315 1.00 0.00 C ATOM 1543 CG LEU A 101 -19.824 -12.231 -18.664 1.00 0.00 C ATOM 1544 CD1 LEU A 101 -21.242 -12.775 -18.758 1.00 0.00 C ATOM 1545 CD2 LEU A 101 -19.814 -10.724 -18.871 1.00 0.00 C ATOM 0 H LEU A 101 -18.551 -13.058 -14.860 1.00 0.00 H new ATOM 0 HA LEU A 101 -19.991 -10.901 -16.248 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -18.153 -12.291 -17.330 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -19.220 -13.675 -17.206 1.00 0.00 H new ATOM 0 HG LEU A 101 -19.227 -12.689 -19.453 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -21.670 -12.510 -19.725 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -21.223 -13.860 -18.655 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -21.850 -12.346 -17.962 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -20.261 -10.486 -19.836 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -20.387 -10.244 -18.078 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -18.787 -10.360 -18.848 1.00 0.00 H new ATOM 1557 N SER A 102 -22.273 -11.761 -15.907 1.00 0.00 N ATOM 1558 CA SER A 102 -23.640 -12.229 -15.711 1.00 0.00 C ATOM 1559 C SER A 102 -24.638 -11.097 -15.930 1.00 0.00 C ATOM 1560 O SER A 102 -24.625 -10.095 -15.216 1.00 0.00 O ATOM 1561 CB SER A 102 -23.806 -12.807 -14.304 1.00 0.00 C ATOM 1562 OG SER A 102 -25.103 -13.348 -14.125 1.00 0.00 O ATOM 0 H SER A 102 -22.191 -10.759 -16.078 1.00 0.00 H new ATOM 0 HA SER A 102 -23.839 -13.011 -16.443 1.00 0.00 H new ATOM 0 HB2 SER A 102 -23.059 -13.582 -14.135 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.629 -12.027 -13.564 1.00 0.00 H new ATOM 0 HG SER A 102 -25.183 -13.712 -13.219 1.00 0.00 H new ATOM 1568 N GLY A 103 -25.505 -11.265 -16.924 1.00 0.00 N ATOM 1569 CA GLY A 103 -26.500 -10.250 -17.221 1.00 0.00 C ATOM 1570 C GLY A 103 -27.907 -10.811 -17.260 1.00 0.00 C ATOM 1571 O GLY A 103 -28.139 -11.933 -17.711 1.00 0.00 O ATOM 0 H GLY A 103 -25.536 -12.086 -17.529 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -26.447 -9.463 -16.469 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -26.269 -9.789 -18.182 1.00 0.00 H new ATOM 1575 N PRO A 104 -28.877 -10.021 -16.776 1.00 0.00 N ATOM 1576 CA PRO A 104 -30.286 -10.425 -16.746 1.00 0.00 C ATOM 1577 C PRO A 104 -30.900 -10.492 -18.140 1.00 0.00 C ATOM 1578 O PRO A 104 -31.695 -11.384 -18.436 1.00 0.00 O ATOM 1579 CB PRO A 104 -30.953 -9.323 -15.920 1.00 0.00 C ATOM 1580 CG PRO A 104 -30.072 -8.134 -16.092 1.00 0.00 C ATOM 1581 CD PRO A 104 -28.673 -8.672 -16.223 1.00 0.00 C ATOM 0 HA PRO A 104 -30.415 -11.425 -16.331 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -31.964 -9.121 -16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -31.033 -9.608 -14.871 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -30.355 -7.563 -16.976 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -30.153 -7.461 -15.238 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -28.065 -8.054 -16.884 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -28.163 -8.705 -15.260 1.00 0.00 H new ATOM 1589 N SER A 105 -30.526 -9.544 -18.993 1.00 0.00 N ATOM 1590 CA SER A 105 -31.043 -9.494 -20.355 1.00 0.00 C ATOM 1591 C SER A 105 -31.040 -10.881 -20.989 1.00 0.00 C ATOM 1592 O SER A 105 -32.077 -11.378 -21.428 1.00 0.00 O ATOM 1593 CB SER A 105 -30.210 -8.531 -21.204 1.00 0.00 C ATOM 1594 OG SER A 105 -28.852 -8.934 -21.249 1.00 0.00 O ATOM 0 H SER A 105 -29.867 -8.800 -18.765 1.00 0.00 H new ATOM 0 HA SER A 105 -32.071 -9.135 -20.314 1.00 0.00 H new ATOM 0 HB2 SER A 105 -30.614 -8.490 -22.215 1.00 0.00 H new ATOM 0 HB3 SER A 105 -30.280 -7.524 -20.792 1.00 0.00 H new ATOM 0 HG SER A 105 -28.342 -8.303 -21.799 1.00 0.00 H new ATOM 1600 N SER A 106 -29.865 -11.503 -21.033 1.00 0.00 N ATOM 1601 CA SER A 106 -29.725 -12.832 -21.616 1.00 0.00 C ATOM 1602 C SER A 106 -29.831 -13.910 -20.542 1.00 0.00 C ATOM 1603 O SER A 106 -29.404 -13.714 -19.405 1.00 0.00 O ATOM 1604 CB SER A 106 -28.385 -12.953 -22.345 1.00 0.00 C ATOM 1605 OG SER A 106 -27.337 -13.254 -21.440 1.00 0.00 O ATOM 0 H SER A 106 -28.997 -11.107 -20.672 1.00 0.00 H new ATOM 0 HA SER A 106 -30.535 -12.975 -22.332 1.00 0.00 H new ATOM 0 HB2 SER A 106 -28.449 -13.733 -23.104 1.00 0.00 H new ATOM 0 HB3 SER A 106 -28.165 -12.020 -22.864 1.00 0.00 H new ATOM 0 HG SER A 106 -26.492 -13.328 -21.931 1.00 0.00 H new ATOM 1611 N GLY A 107 -30.405 -15.051 -20.912 1.00 0.00 N ATOM 1612 CA GLY A 107 -30.559 -16.144 -19.970 1.00 0.00 C ATOM 1613 C GLY A 107 -32.010 -16.414 -19.626 1.00 0.00 C ATOM 1614 O GLY A 107 -32.339 -17.462 -19.072 1.00 0.00 O ATOM 0 H GLY A 107 -30.766 -15.238 -21.848 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -30.115 -17.046 -20.390 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -30.010 -15.913 -19.057 1.00 0.00 H new TER 1618 GLY A 107