USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 776 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 NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 16 TYR OH : rot -24:sc= 0.00023 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-0.00044) USER MOD Set 2.1: A 57 HIS : no HE2:sc= -6.2! C(o=-6.8!,f=-6.5!) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 24:sc= 0.138 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -21:sc= 0.285 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.66) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 32:sc= 0.936 USER MOD Single : A 37 LYS NZ :NH3+ -112:sc=-0.00585 (180deg=-0.195) USER MOD Single : A 39 SER OG : rot -103:sc= 0.833 USER MOD Single : A 42 MET CE :methyl -111:sc= -6.73! (180deg=-16.1!) USER MOD Single : A 45 MET CE :methyl 152:sc= -2.81! (180deg=-4.72!) USER MOD Single : A 47 GLN : amide:sc= -3.57! C(o=-3.6!,f=-5.8!) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00259 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-1.2) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 90 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.022) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0348) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 115:sc= 1.06 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 40:sc= 0.477 USER MOD Single : A 105 SER OG : rot 59:sc= 0.00113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.088 18.114 32.492 1.00 0.00 N ATOM 2 CA GLY A 1 -1.482 18.627 31.193 1.00 0.00 C ATOM 3 C GLY A 1 -0.482 18.286 30.106 1.00 0.00 C ATOM 4 O GLY A 1 0.723 18.472 30.281 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.804 18.374 33.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.006 17.078 32.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.170 18.522 32.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.457 18.220 30.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.594 19.710 31.252 1.00 0.00 H new ATOM 8 N SER A 2 -0.980 17.783 28.981 1.00 0.00 N ATOM 9 CA SER A 2 -0.121 17.409 27.864 1.00 0.00 C ATOM 10 C SER A 2 -0.910 17.376 26.559 1.00 0.00 C ATOM 11 O SER A 2 -2.119 17.604 26.546 1.00 0.00 O ATOM 12 CB SER A 2 0.520 16.044 28.121 1.00 0.00 C ATOM 13 OG SER A 2 -0.431 15.001 27.989 1.00 0.00 O ATOM 0 H SER A 2 -1.975 17.625 28.819 1.00 0.00 H new ATOM 0 HA SER A 2 0.664 18.160 27.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.339 15.885 27.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.950 16.023 29.122 1.00 0.00 H new ATOM 0 HG SER A 2 0.004 14.139 28.156 1.00 0.00 H new ATOM 19 N SER A 3 -0.215 17.091 25.462 1.00 0.00 N ATOM 20 CA SER A 3 -0.849 17.032 24.150 1.00 0.00 C ATOM 21 C SER A 3 -0.247 15.912 23.306 1.00 0.00 C ATOM 22 O SER A 3 0.689 15.236 23.729 1.00 0.00 O ATOM 23 CB SER A 3 -0.697 18.371 23.426 1.00 0.00 C ATOM 24 OG SER A 3 -1.321 19.417 24.150 1.00 0.00 O ATOM 0 H SER A 3 0.786 16.898 25.456 1.00 0.00 H new ATOM 0 HA SER A 3 -1.909 16.824 24.295 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.361 18.598 23.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.136 18.301 22.431 1.00 0.00 H new ATOM 0 HG SER A 3 -1.208 20.262 23.667 1.00 0.00 H new ATOM 30 N GLY A 4 -0.794 15.723 22.109 1.00 0.00 N ATOM 31 CA GLY A 4 -0.299 14.685 21.224 1.00 0.00 C ATOM 32 C GLY A 4 0.395 15.249 20.000 1.00 0.00 C ATOM 33 O GLY A 4 -0.244 15.512 18.981 1.00 0.00 O ATOM 0 H GLY A 4 -1.570 16.270 21.737 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.396 14.047 21.770 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.130 14.054 20.908 1.00 0.00 H new ATOM 37 N SER A 5 1.707 15.436 20.099 1.00 0.00 N ATOM 38 CA SER A 5 2.488 15.978 18.994 1.00 0.00 C ATOM 39 C SER A 5 3.025 14.858 18.108 1.00 0.00 C ATOM 40 O SER A 5 4.129 14.358 18.321 1.00 0.00 O ATOM 41 CB SER A 5 3.647 16.823 19.526 1.00 0.00 C ATOM 42 OG SER A 5 4.267 17.554 18.482 1.00 0.00 O ATOM 0 H SER A 5 2.252 15.220 20.934 1.00 0.00 H new ATOM 0 HA SER A 5 1.833 16.610 18.394 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.280 17.511 20.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.381 16.177 20.007 1.00 0.00 H new ATOM 0 HG SER A 5 5.003 18.087 18.848 1.00 0.00 H new ATOM 48 N SER A 6 2.235 14.469 17.112 1.00 0.00 N ATOM 49 CA SER A 6 2.628 13.406 16.195 1.00 0.00 C ATOM 50 C SER A 6 2.334 13.798 14.750 1.00 0.00 C ATOM 51 O SER A 6 1.368 14.507 14.472 1.00 0.00 O ATOM 52 CB SER A 6 1.896 12.108 16.542 1.00 0.00 C ATOM 53 OG SER A 6 2.424 11.524 17.720 1.00 0.00 O ATOM 0 H SER A 6 1.319 14.874 16.920 1.00 0.00 H new ATOM 0 HA SER A 6 3.702 13.249 16.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.834 12.311 16.678 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.983 11.405 15.713 1.00 0.00 H new ATOM 0 HG SER A 6 1.938 10.697 17.921 1.00 0.00 H new ATOM 59 N GLY A 7 3.177 13.331 13.834 1.00 0.00 N ATOM 60 CA GLY A 7 2.992 13.643 12.429 1.00 0.00 C ATOM 61 C GLY A 7 4.297 13.964 11.729 1.00 0.00 C ATOM 62 O GLY A 7 4.406 14.975 11.036 1.00 0.00 O ATOM 0 H GLY A 7 3.984 12.743 14.040 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.515 12.798 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.315 14.492 12.335 1.00 0.00 H new ATOM 66 N MET A 8 5.292 13.102 11.912 1.00 0.00 N ATOM 67 CA MET A 8 6.598 13.299 11.292 1.00 0.00 C ATOM 68 C MET A 8 6.614 12.746 9.871 1.00 0.00 C ATOM 69 O MET A 8 5.823 11.869 9.527 1.00 0.00 O ATOM 70 CB MET A 8 7.689 12.626 12.127 1.00 0.00 C ATOM 71 CG MET A 8 7.490 11.128 12.292 1.00 0.00 C ATOM 72 SD MET A 8 8.973 10.291 12.884 1.00 0.00 S ATOM 73 CE MET A 8 8.613 10.162 14.634 1.00 0.00 C ATOM 0 H MET A 8 5.219 12.261 12.484 1.00 0.00 H new ATOM 0 HA MET A 8 6.794 14.370 11.248 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.657 12.806 11.659 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.720 13.091 13.112 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.673 10.949 12.991 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.192 10.698 11.336 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.440 9.664 15.140 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.479 11.160 15.052 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.700 9.584 14.776 1.00 0.00 H new ATOM 83 N ALA A 9 7.521 13.266 9.049 1.00 0.00 N ATOM 84 CA ALA A 9 7.641 12.822 7.666 1.00 0.00 C ATOM 85 C ALA A 9 8.903 11.992 7.463 1.00 0.00 C ATOM 86 O ALA A 9 9.989 12.382 7.891 1.00 0.00 O ATOM 87 CB ALA A 9 7.638 14.019 6.726 1.00 0.00 C ATOM 0 H ALA A 9 8.183 13.995 9.317 1.00 0.00 H new ATOM 0 HA ALA A 9 6.782 12.191 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.728 13.673 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.706 14.571 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.478 14.671 6.965 1.00 0.00 H new ATOM 93 N GLU A 10 8.753 10.844 6.809 1.00 0.00 N ATOM 94 CA GLU A 10 9.882 9.958 6.551 1.00 0.00 C ATOM 95 C GLU A 10 10.705 10.456 5.367 1.00 0.00 C ATOM 96 O GLU A 10 11.087 9.679 4.492 1.00 0.00 O ATOM 97 CB GLU A 10 9.391 8.535 6.282 1.00 0.00 C ATOM 98 CG GLU A 10 8.929 7.804 7.532 1.00 0.00 C ATOM 99 CD GLU A 10 7.595 8.310 8.045 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.582 9.353 8.732 1.00 0.00 O ATOM 101 OE2 GLU A 10 6.565 7.665 7.761 1.00 0.00 O ATOM 0 H GLU A 10 7.861 10.506 6.448 1.00 0.00 H new ATOM 0 HA GLU A 10 10.517 9.954 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.568 8.572 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.194 7.965 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.851 6.738 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.681 7.917 8.313 1.00 0.00 H new ATOM 108 N SER A 11 10.975 11.758 5.346 1.00 0.00 N ATOM 109 CA SER A 11 11.749 12.361 4.268 1.00 0.00 C ATOM 110 C SER A 11 11.222 11.917 2.907 1.00 0.00 C ATOM 111 O SER A 11 11.995 11.617 1.997 1.00 0.00 O ATOM 112 CB SER A 11 13.226 11.989 4.402 1.00 0.00 C ATOM 113 OG SER A 11 14.056 12.973 3.810 1.00 0.00 O ATOM 0 H SER A 11 10.669 12.415 6.064 1.00 0.00 H new ATOM 0 HA SER A 11 11.647 13.444 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.482 11.879 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.406 11.024 3.928 1.00 0.00 H new ATOM 0 HG SER A 11 14.995 12.712 3.911 1.00 0.00 H new ATOM 119 N SER A 12 9.900 11.877 2.775 1.00 0.00 N ATOM 120 CA SER A 12 9.268 11.466 1.527 1.00 0.00 C ATOM 121 C SER A 12 7.939 12.189 1.327 1.00 0.00 C ATOM 122 O SER A 12 7.094 12.216 2.221 1.00 0.00 O ATOM 123 CB SER A 12 9.045 9.953 1.518 1.00 0.00 C ATOM 124 OG SER A 12 8.075 9.575 2.479 1.00 0.00 O ATOM 0 H SER A 12 9.246 12.124 3.517 1.00 0.00 H new ATOM 0 HA SER A 12 9.934 11.733 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.722 9.636 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.985 9.442 1.726 1.00 0.00 H new ATOM 0 HG SER A 12 7.494 10.339 2.676 1.00 0.00 H new ATOM 130 N ASP A 13 7.763 12.774 0.147 1.00 0.00 N ATOM 131 CA ASP A 13 6.537 13.496 -0.172 1.00 0.00 C ATOM 132 C ASP A 13 5.712 12.736 -1.205 1.00 0.00 C ATOM 133 O ASP A 13 5.272 13.304 -2.206 1.00 0.00 O ATOM 134 CB ASP A 13 6.867 14.896 -0.695 1.00 0.00 C ATOM 135 CG ASP A 13 7.853 15.628 0.194 1.00 0.00 C ATOM 136 OD1 ASP A 13 7.771 15.468 1.429 1.00 0.00 O ATOM 137 OD2 ASP A 13 8.707 16.362 -0.347 1.00 0.00 O ATOM 0 H ASP A 13 8.453 12.762 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 13 5.949 13.586 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.278 14.817 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.949 15.478 -0.771 1.00 0.00 H new ATOM 142 N LYS A 14 5.505 11.447 -0.957 1.00 0.00 N ATOM 143 CA LYS A 14 4.733 10.607 -1.865 1.00 0.00 C ATOM 144 C LYS A 14 3.236 10.776 -1.621 1.00 0.00 C ATOM 145 O LYS A 14 2.822 11.361 -0.620 1.00 0.00 O ATOM 146 CB LYS A 14 5.126 9.138 -1.692 1.00 0.00 C ATOM 147 CG LYS A 14 6.616 8.885 -1.842 1.00 0.00 C ATOM 148 CD LYS A 14 6.892 7.509 -2.424 1.00 0.00 C ATOM 149 CE LYS A 14 8.155 7.506 -3.271 1.00 0.00 C ATOM 150 NZ LYS A 14 9.385 7.550 -2.433 1.00 0.00 N ATOM 0 H LYS A 14 5.861 10.961 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 14 4.955 10.918 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.806 8.799 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.588 8.538 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.052 9.648 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.101 8.974 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.993 6.784 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.044 7.193 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.172 6.612 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.143 8.363 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.224 7.547 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.382 8.416 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.410 6.719 -1.809 1.00 0.00 H new ATOM 164 N LEU A 15 2.430 10.259 -2.542 1.00 0.00 N ATOM 165 CA LEU A 15 0.978 10.351 -2.426 1.00 0.00 C ATOM 166 C LEU A 15 0.396 9.069 -1.840 1.00 0.00 C ATOM 167 O LEU A 15 -0.408 9.109 -0.909 1.00 0.00 O ATOM 168 CB LEU A 15 0.355 10.630 -3.795 1.00 0.00 C ATOM 169 CG LEU A 15 0.512 12.054 -4.327 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.561 12.054 -5.847 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.621 12.938 -3.828 1.00 0.00 C ATOM 0 H LEU A 15 2.757 9.772 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 15 0.743 11.175 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.794 9.943 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.709 10.399 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 15 1.453 12.459 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.673 13.077 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.408 11.456 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.363 11.630 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.493 13.948 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.574 12.536 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.609 12.964 -2.738 1.00 0.00 H new ATOM 183 N TYR A 16 0.809 7.933 -2.391 1.00 0.00 N ATOM 184 CA TYR A 16 0.329 6.638 -1.923 1.00 0.00 C ATOM 185 C TYR A 16 1.444 5.860 -1.231 1.00 0.00 C ATOM 186 O TYR A 16 2.618 6.220 -1.326 1.00 0.00 O ATOM 187 CB TYR A 16 -0.225 5.823 -3.093 1.00 0.00 C ATOM 188 CG TYR A 16 -1.170 6.603 -3.980 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.447 6.935 -3.546 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.785 7.007 -5.252 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.314 7.646 -4.353 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.645 7.720 -6.066 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.908 8.037 -5.612 1.00 0.00 C ATOM 194 OH TYR A 16 -3.768 8.746 -6.418 1.00 0.00 O ATOM 0 H TYR A 16 1.475 7.883 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.468 6.815 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.606 5.456 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.745 4.949 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.768 6.632 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.203 6.760 -5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.304 7.894 -4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.330 8.027 -7.052 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.693 8.560 -6.153 1.00 0.00 H new ATOM 204 N ARG A 17 1.068 4.793 -0.535 1.00 0.00 N ATOM 205 CA ARG A 17 2.035 3.964 0.175 1.00 0.00 C ATOM 206 C ARG A 17 1.478 2.564 0.415 1.00 0.00 C ATOM 207 O ARG A 17 0.583 2.373 1.239 1.00 0.00 O ATOM 208 CB ARG A 17 2.411 4.610 1.509 1.00 0.00 C ATOM 209 CG ARG A 17 3.278 3.727 2.391 1.00 0.00 C ATOM 210 CD ARG A 17 3.582 4.395 3.722 1.00 0.00 C ATOM 211 NE ARG A 17 4.632 5.404 3.602 1.00 0.00 N ATOM 212 CZ ARG A 17 5.103 6.100 4.630 1.00 0.00 C ATOM 213 NH1 ARG A 17 4.622 5.898 5.849 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.060 7.000 4.440 1.00 0.00 N ATOM 0 H ARG A 17 0.101 4.482 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 17 2.928 3.880 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.938 5.544 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.499 4.865 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.772 2.778 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.211 3.500 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.675 4.860 4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.887 3.639 4.446 1.00 0.00 H new ATOM 0 HE ARG A 17 5.025 5.584 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.888 5.206 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.986 6.434 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.434 7.157 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.422 7.534 5.230 1.00 0.00 H new ATOM 228 N VAL A 18 2.013 1.587 -0.311 1.00 0.00 N ATOM 229 CA VAL A 18 1.570 0.204 -0.176 1.00 0.00 C ATOM 230 C VAL A 18 2.550 -0.608 0.663 1.00 0.00 C ATOM 231 O VAL A 18 3.764 -0.442 0.550 1.00 0.00 O ATOM 232 CB VAL A 18 1.408 -0.470 -1.552 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.754 -0.583 -2.252 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.759 -1.837 -1.402 1.00 0.00 C ATOM 0 H VAL A 18 2.753 1.728 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 18 0.602 0.229 0.325 1.00 0.00 H new ATOM 0 HB VAL A 18 0.756 0.150 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.620 -1.061 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.175 0.412 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.432 -1.181 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.652 -2.299 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.383 -2.469 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.224 -1.725 -0.945 1.00 0.00 H new ATOM 244 N GLU A 19 2.014 -1.486 1.505 1.00 0.00 N ATOM 245 CA GLU A 19 2.842 -2.324 2.364 1.00 0.00 C ATOM 246 C GLU A 19 1.995 -3.364 3.090 1.00 0.00 C ATOM 247 O GLU A 19 0.765 -3.321 3.044 1.00 0.00 O ATOM 248 CB GLU A 19 3.594 -1.463 3.381 1.00 0.00 C ATOM 249 CG GLU A 19 2.707 -0.907 4.482 1.00 0.00 C ATOM 250 CD GLU A 19 3.446 0.046 5.401 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.509 1.252 5.081 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.962 -0.414 6.442 1.00 0.00 O ATOM 0 H GLU A 19 1.011 -1.635 1.610 1.00 0.00 H new ATOM 0 HA GLU A 19 3.564 -2.844 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.388 -2.058 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.073 -0.635 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.859 -0.389 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.303 -1.732 5.069 1.00 0.00 H new ATOM 259 N TYR A 20 2.661 -4.299 3.758 1.00 0.00 N ATOM 260 CA TYR A 20 1.970 -5.353 4.492 1.00 0.00 C ATOM 261 C TYR A 20 1.476 -4.843 5.842 1.00 0.00 C ATOM 262 O TYR A 20 2.270 -4.541 6.732 1.00 0.00 O ATOM 263 CB TYR A 20 2.897 -6.553 4.695 1.00 0.00 C ATOM 264 CG TYR A 20 3.508 -7.071 3.412 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.709 -7.415 2.329 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.884 -7.216 3.284 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.263 -7.888 1.155 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.446 -7.688 2.114 1.00 0.00 C ATOM 269 CZ TYR A 20 4.632 -8.023 1.052 1.00 0.00 C ATOM 270 OH TYR A 20 5.188 -8.494 -0.115 1.00 0.00 O ATOM 0 H TYR A 20 3.679 -4.349 3.807 1.00 0.00 H new ATOM 0 HA TYR A 20 1.107 -5.664 3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.696 -6.272 5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.337 -7.358 5.171 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.637 -7.311 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.525 -6.955 4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.628 -8.151 0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.518 -7.794 2.031 1.00 0.00 H new ATOM 0 HH TYR A 20 4.512 -8.991 -0.622 1.00 0.00 H new ATOM 280 N ALA A 21 0.158 -4.751 5.986 1.00 0.00 N ATOM 281 CA ALA A 21 -0.444 -4.281 7.228 1.00 0.00 C ATOM 282 C ALA A 21 0.310 -4.817 8.440 1.00 0.00 C ATOM 283 O ALA A 21 0.499 -6.025 8.584 1.00 0.00 O ATOM 284 CB ALA A 21 -1.908 -4.689 7.292 1.00 0.00 C ATOM 0 H ALA A 21 -0.513 -4.996 5.258 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.380 -3.193 7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.345 -4.332 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.444 -4.253 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.985 -5.775 7.248 1.00 0.00 H new ATOM 290 N LYS A 22 0.740 -3.910 9.311 1.00 0.00 N ATOM 291 CA LYS A 22 1.474 -4.290 10.513 1.00 0.00 C ATOM 292 C LYS A 22 0.557 -4.992 11.510 1.00 0.00 C ATOM 293 O LYS A 22 0.875 -6.074 12.004 1.00 0.00 O ATOM 294 CB LYS A 22 2.103 -3.056 11.163 1.00 0.00 C ATOM 295 CG LYS A 22 3.319 -2.530 10.420 1.00 0.00 C ATOM 296 CD LYS A 22 4.515 -3.453 10.586 1.00 0.00 C ATOM 297 CE LYS A 22 5.549 -3.227 9.494 1.00 0.00 C ATOM 298 NZ LYS A 22 6.459 -2.093 9.818 1.00 0.00 N ATOM 0 H LYS A 22 0.593 -2.906 9.207 1.00 0.00 H new ATOM 0 HA LYS A 22 2.264 -4.982 10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.354 -2.266 11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.390 -3.301 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.083 -2.426 9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.571 -1.536 10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.972 -3.286 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.181 -4.490 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.136 -4.135 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.042 -3.028 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.149 -1.971 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.902 -1.221 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.962 -2.294 10.706 1.00 0.00 H new ATOM 312 N SER A 23 -0.581 -4.370 11.800 1.00 0.00 N ATOM 313 CA SER A 23 -1.542 -4.934 12.741 1.00 0.00 C ATOM 314 C SER A 23 -2.968 -4.775 12.221 1.00 0.00 C ATOM 315 O SER A 23 -3.204 -4.099 11.221 1.00 0.00 O ATOM 316 CB SER A 23 -1.407 -4.259 14.107 1.00 0.00 C ATOM 317 OG SER A 23 -0.083 -4.368 14.601 1.00 0.00 O ATOM 0 H SER A 23 -0.860 -3.476 11.397 1.00 0.00 H new ATOM 0 HA SER A 23 -1.328 -5.998 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.683 -3.208 14.025 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.101 -4.717 14.812 1.00 0.00 H new ATOM 0 HG SER A 23 -0.022 -3.928 15.474 1.00 0.00 H new ATOM 323 N GLY A 24 -3.915 -5.405 12.910 1.00 0.00 N ATOM 324 CA GLY A 24 -5.306 -5.322 12.503 1.00 0.00 C ATOM 325 C GLY A 24 -6.047 -4.197 13.199 1.00 0.00 C ATOM 326 O GLY A 24 -6.912 -4.441 14.040 1.00 0.00 O ATOM 0 H GLY A 24 -3.744 -5.971 13.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.358 -5.174 11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.802 -6.268 12.719 1.00 0.00 H new ATOM 330 N ARG A 25 -5.707 -2.961 12.849 1.00 0.00 N ATOM 331 CA ARG A 25 -6.344 -1.794 13.448 1.00 0.00 C ATOM 332 C ARG A 25 -6.909 -0.872 12.372 1.00 0.00 C ATOM 333 O ARG A 25 -8.043 -0.405 12.474 1.00 0.00 O ATOM 334 CB ARG A 25 -5.343 -1.029 14.316 1.00 0.00 C ATOM 335 CG ARG A 25 -5.231 -1.567 15.733 1.00 0.00 C ATOM 336 CD ARG A 25 -4.582 -0.554 16.663 1.00 0.00 C ATOM 337 NE ARG A 25 -3.215 -0.238 16.260 1.00 0.00 N ATOM 338 CZ ARG A 25 -2.348 0.400 17.039 1.00 0.00 C ATOM 339 NH1 ARG A 25 -2.704 0.787 18.255 1.00 0.00 N ATOM 340 NH2 ARG A 25 -1.121 0.652 16.600 1.00 0.00 N ATOM 0 H ARG A 25 -4.994 -2.742 12.154 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.166 -2.141 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.362 -1.067 13.843 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.637 0.020 14.357 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.223 -1.822 16.106 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.646 -2.487 15.729 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.177 0.360 16.675 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.579 -0.946 17.680 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.909 -0.522 15.330 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.646 0.595 18.596 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.036 1.277 18.850 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.843 0.356 15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.456 1.142 17.198 1.00 0.00 H new ATOM 354 N ALA A 26 -6.111 -0.613 11.341 1.00 0.00 N ATOM 355 CA ALA A 26 -6.532 0.252 10.247 1.00 0.00 C ATOM 356 C ALA A 26 -7.834 -0.243 9.625 1.00 0.00 C ATOM 357 O ALA A 26 -8.064 -1.448 9.521 1.00 0.00 O ATOM 358 CB ALA A 26 -5.440 0.337 9.191 1.00 0.00 C ATOM 0 H ALA A 26 -5.169 -0.991 11.241 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.709 1.248 10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.768 0.987 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.533 0.744 9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.235 -0.659 8.798 1.00 0.00 H new ATOM 364 N SER A 27 -8.682 0.694 9.215 1.00 0.00 N ATOM 365 CA SER A 27 -9.963 0.352 8.608 1.00 0.00 C ATOM 366 C SER A 27 -9.980 0.726 7.129 1.00 0.00 C ATOM 367 O SER A 27 -9.006 1.263 6.600 1.00 0.00 O ATOM 368 CB SER A 27 -11.104 1.064 9.339 1.00 0.00 C ATOM 369 OG SER A 27 -11.471 0.364 10.514 1.00 0.00 O ATOM 0 H SER A 27 -8.506 1.696 9.292 1.00 0.00 H new ATOM 0 HA SER A 27 -10.102 -0.726 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.798 2.078 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.967 1.149 8.678 1.00 0.00 H new ATOM 0 HG SER A 27 -12.200 0.840 10.964 1.00 0.00 H new ATOM 375 N CYS A 28 -11.095 0.438 6.465 1.00 0.00 N ATOM 376 CA CYS A 28 -11.242 0.743 5.047 1.00 0.00 C ATOM 377 C CYS A 28 -12.370 1.744 4.819 1.00 0.00 C ATOM 378 O CYS A 28 -13.482 1.568 5.317 1.00 0.00 O ATOM 379 CB CYS A 28 -11.514 -0.538 4.255 1.00 0.00 C ATOM 380 SG CYS A 28 -11.820 -0.263 2.480 1.00 0.00 S ATOM 0 H CYS A 28 -11.910 -0.007 6.887 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.310 1.188 4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.662 -1.209 4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.377 -1.044 4.688 1.00 0.00 H new ATOM 385 N LYS A 29 -12.076 2.796 4.063 1.00 0.00 N ATOM 386 CA LYS A 29 -13.065 3.827 3.767 1.00 0.00 C ATOM 387 C LYS A 29 -13.747 3.557 2.429 1.00 0.00 C ATOM 388 O LYS A 29 -14.047 4.484 1.676 1.00 0.00 O ATOM 389 CB LYS A 29 -12.403 5.206 3.745 1.00 0.00 C ATOM 390 CG LYS A 29 -11.708 5.568 5.046 1.00 0.00 C ATOM 391 CD LYS A 29 -12.706 5.964 6.121 1.00 0.00 C ATOM 392 CE LYS A 29 -12.029 6.697 7.268 1.00 0.00 C ATOM 393 NZ LYS A 29 -12.793 6.564 8.539 1.00 0.00 N ATOM 0 H LYS A 29 -11.160 2.958 3.644 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.821 3.807 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.676 5.238 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.159 5.959 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.117 4.720 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.014 6.390 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.477 6.600 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.205 5.073 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.022 6.303 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.927 7.752 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.299 7.077 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.746 6.963 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.869 5.559 8.795 1.00 0.00 H new ATOM 407 N LYS A 30 -13.991 2.283 2.140 1.00 0.00 N ATOM 408 CA LYS A 30 -14.640 1.891 0.895 1.00 0.00 C ATOM 409 C LYS A 30 -15.723 0.848 1.152 1.00 0.00 C ATOM 410 O LYS A 30 -16.853 0.983 0.681 1.00 0.00 O ATOM 411 CB LYS A 30 -13.608 1.339 -0.090 1.00 0.00 C ATOM 412 CG LYS A 30 -14.210 0.878 -1.407 1.00 0.00 C ATOM 413 CD LYS A 30 -14.546 2.055 -2.308 1.00 0.00 C ATOM 414 CE LYS A 30 -15.779 1.775 -3.154 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.376 3.027 -3.695 1.00 0.00 N ATOM 0 H LYS A 30 -13.749 1.504 2.752 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.108 2.776 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.862 2.108 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.086 0.502 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.509 0.217 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.112 0.298 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.715 2.944 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.698 2.270 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.511 1.114 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.521 1.249 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.374 2.860 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.312 3.779 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.859 3.317 -4.549 1.00 0.00 H new ATOM 429 N CYS A 31 -15.372 -0.191 1.902 1.00 0.00 N ATOM 430 CA CYS A 31 -16.314 -1.256 2.223 1.00 0.00 C ATOM 431 C CYS A 31 -16.769 -1.161 3.676 1.00 0.00 C ATOM 432 O CYS A 31 -17.789 -1.736 4.057 1.00 0.00 O ATOM 433 CB CYS A 31 -15.676 -2.623 1.965 1.00 0.00 C ATOM 434 SG CYS A 31 -14.219 -2.971 3.002 1.00 0.00 S ATOM 0 H CYS A 31 -14.441 -0.318 2.299 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.187 -1.142 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.423 -3.398 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.385 -2.684 0.916 1.00 0.00 H new ATOM 439 N SER A 32 -16.007 -0.430 4.483 1.00 0.00 N ATOM 440 CA SER A 32 -16.330 -0.262 5.895 1.00 0.00 C ATOM 441 C SER A 32 -16.033 -1.538 6.676 1.00 0.00 C ATOM 442 O SER A 32 -16.867 -2.015 7.445 1.00 0.00 O ATOM 443 CB SER A 32 -17.801 0.121 6.061 1.00 0.00 C ATOM 444 OG SER A 32 -18.022 0.773 7.300 1.00 0.00 O ATOM 0 H SER A 32 -15.162 0.055 4.183 1.00 0.00 H new ATOM 0 HA SER A 32 -15.707 0.539 6.292 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.104 0.775 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.422 -0.773 6.001 1.00 0.00 H new ATOM 0 HG SER A 32 -18.970 1.009 7.381 1.00 0.00 H new ATOM 450 N GLU A 33 -14.840 -2.087 6.470 1.00 0.00 N ATOM 451 CA GLU A 33 -14.433 -3.309 7.154 1.00 0.00 C ATOM 452 C GLU A 33 -13.126 -3.099 7.913 1.00 0.00 C ATOM 453 O GLU A 33 -12.513 -2.034 7.833 1.00 0.00 O ATOM 454 CB GLU A 33 -14.275 -4.453 6.151 1.00 0.00 C ATOM 455 CG GLU A 33 -15.593 -4.941 5.572 1.00 0.00 C ATOM 456 CD GLU A 33 -15.500 -6.348 5.015 1.00 0.00 C ATOM 457 OE1 GLU A 33 -14.574 -6.612 4.220 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.353 -7.185 5.376 1.00 0.00 O ATOM 0 H GLU A 33 -14.139 -1.705 5.835 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.211 -3.569 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.629 -4.124 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.772 -5.287 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.359 -4.911 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.912 -4.262 4.782 1.00 0.00 H new ATOM 465 N SER A 34 -12.705 -4.122 8.650 1.00 0.00 N ATOM 466 CA SER A 34 -11.473 -4.049 9.426 1.00 0.00 C ATOM 467 C SER A 34 -10.312 -4.682 8.665 1.00 0.00 C ATOM 468 O SER A 34 -10.255 -5.901 8.501 1.00 0.00 O ATOM 469 CB SER A 34 -11.654 -4.746 10.776 1.00 0.00 C ATOM 470 OG SER A 34 -11.874 -6.136 10.606 1.00 0.00 O ATOM 0 H SER A 34 -13.199 -5.011 8.726 1.00 0.00 H new ATOM 0 HA SER A 34 -11.242 -2.997 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.769 -4.587 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.496 -4.303 11.307 1.00 0.00 H new ATOM 0 HG SER A 34 -11.388 -6.450 9.815 1.00 0.00 H new ATOM 476 N ILE A 35 -9.390 -3.846 8.203 1.00 0.00 N ATOM 477 CA ILE A 35 -8.230 -4.323 7.460 1.00 0.00 C ATOM 478 C ILE A 35 -7.466 -5.378 8.252 1.00 0.00 C ATOM 479 O ILE A 35 -6.992 -5.134 9.362 1.00 0.00 O ATOM 480 CB ILE A 35 -7.273 -3.169 7.107 1.00 0.00 C ATOM 481 CG1 ILE A 35 -8.002 -2.107 6.282 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.063 -3.696 6.351 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.219 -0.822 6.123 1.00 0.00 C ATOM 0 H ILE A 35 -9.423 -2.834 8.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.607 -4.766 6.538 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.926 -2.709 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.222 -2.513 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.958 -1.884 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.396 -2.868 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.533 -4.419 6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.391 -4.179 5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.797 -0.115 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.021 -0.392 7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.274 -1.031 5.622 1.00 0.00 H new ATOM 495 N PRO A 36 -7.340 -6.580 7.670 1.00 0.00 N ATOM 496 CA PRO A 36 -6.632 -7.696 8.303 1.00 0.00 C ATOM 497 C PRO A 36 -5.126 -7.463 8.371 1.00 0.00 C ATOM 498 O PRO A 36 -4.556 -6.770 7.529 1.00 0.00 O ATOM 499 CB PRO A 36 -6.949 -8.882 7.388 1.00 0.00 C ATOM 500 CG PRO A 36 -7.237 -8.269 6.061 1.00 0.00 C ATOM 501 CD PRO A 36 -7.880 -6.941 6.348 1.00 0.00 C ATOM 0 HA PRO A 36 -6.944 -7.843 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.109 -9.574 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.804 -9.449 7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.322 -8.142 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.900 -8.904 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.623 -6.198 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.967 -7.016 6.365 1.00 0.00 H new ATOM 509 N LYS A 37 -4.487 -8.047 9.379 1.00 0.00 N ATOM 510 CA LYS A 37 -3.047 -7.906 9.557 1.00 0.00 C ATOM 511 C LYS A 37 -2.288 -8.790 8.574 1.00 0.00 C ATOM 512 O LYS A 37 -2.781 -9.839 8.159 1.00 0.00 O ATOM 513 CB LYS A 37 -2.652 -8.264 10.992 1.00 0.00 C ATOM 514 CG LYS A 37 -1.166 -8.117 11.268 1.00 0.00 C ATOM 515 CD LYS A 37 -0.813 -8.568 12.676 1.00 0.00 C ATOM 516 CE LYS A 37 -0.353 -10.018 12.697 1.00 0.00 C ATOM 517 NZ LYS A 37 -1.480 -10.954 12.965 1.00 0.00 N ATOM 0 H LYS A 37 -4.944 -8.623 10.086 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.782 -6.867 9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.206 -7.627 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.951 -9.292 11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.601 -8.704 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.871 -7.076 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.026 -7.929 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.681 -8.451 13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.106 -10.267 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.414 -10.145 13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.352 -11.393 13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.378 -10.430 12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.498 -11.694 12.234 1.00 0.00 H new ATOM 531 N ASP A 38 -1.086 -8.360 8.206 1.00 0.00 N ATOM 532 CA ASP A 38 -0.257 -9.115 7.273 1.00 0.00 C ATOM 533 C ASP A 38 -0.927 -9.211 5.906 1.00 0.00 C ATOM 534 O ASP A 38 -0.873 -10.251 5.249 1.00 0.00 O ATOM 535 CB ASP A 38 0.018 -10.516 7.820 1.00 0.00 C ATOM 536 CG ASP A 38 1.245 -11.151 7.195 1.00 0.00 C ATOM 537 OD1 ASP A 38 1.148 -11.623 6.043 1.00 0.00 O ATOM 538 OD2 ASP A 38 2.302 -11.176 7.859 1.00 0.00 O ATOM 0 H ASP A 38 -0.664 -7.493 8.539 1.00 0.00 H new ATOM 0 HA ASP A 38 0.690 -8.587 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.151 -10.461 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.849 -11.151 7.637 1.00 0.00 H new ATOM 543 N SER A 39 -1.559 -8.121 5.484 1.00 0.00 N ATOM 544 CA SER A 39 -2.245 -8.084 4.197 1.00 0.00 C ATOM 545 C SER A 39 -1.738 -6.925 3.345 1.00 0.00 C ATOM 546 O SER A 39 -1.141 -5.977 3.857 1.00 0.00 O ATOM 547 CB SER A 39 -3.755 -7.958 4.404 1.00 0.00 C ATOM 548 OG SER A 39 -4.119 -6.621 4.702 1.00 0.00 O ATOM 0 H SER A 39 -1.611 -7.251 6.014 1.00 0.00 H new ATOM 0 HA SER A 39 -2.034 -9.016 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.277 -8.289 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.070 -8.614 5.216 1.00 0.00 H new ATOM 0 HG SER A 39 -4.300 -6.537 5.661 1.00 0.00 H new ATOM 554 N LEU A 40 -1.980 -7.008 2.041 1.00 0.00 N ATOM 555 CA LEU A 40 -1.548 -5.966 1.115 1.00 0.00 C ATOM 556 C LEU A 40 -2.593 -4.859 1.017 1.00 0.00 C ATOM 557 O LEU A 40 -3.628 -5.024 0.371 1.00 0.00 O ATOM 558 CB LEU A 40 -1.289 -6.563 -0.269 1.00 0.00 C ATOM 559 CG LEU A 40 -0.525 -5.674 -1.251 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.910 -5.476 -0.787 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.557 -6.272 -2.649 1.00 0.00 C ATOM 0 H LEU A 40 -2.473 -7.785 1.601 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.623 -5.534 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.734 -7.492 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.249 -6.823 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.013 -4.700 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.438 -4.841 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.913 -5.002 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.409 -6.443 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.008 -5.626 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.095 -7.259 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.591 -6.361 -2.983 1.00 0.00 H new ATOM 573 N ARG A 41 -2.312 -3.730 1.659 1.00 0.00 N ATOM 574 CA ARG A 41 -3.227 -2.594 1.643 1.00 0.00 C ATOM 575 C ARG A 41 -2.537 -1.348 1.095 1.00 0.00 C ATOM 576 O ARG A 41 -1.310 -1.265 1.075 1.00 0.00 O ATOM 577 CB ARG A 41 -3.757 -2.319 3.051 1.00 0.00 C ATOM 578 CG ARG A 41 -2.681 -1.883 4.032 1.00 0.00 C ATOM 579 CD ARG A 41 -3.278 -1.493 5.376 1.00 0.00 C ATOM 580 NE ARG A 41 -2.343 -0.716 6.185 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.405 -0.640 7.510 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.352 -1.291 8.171 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.518 0.089 8.176 1.00 0.00 N ATOM 0 H ARG A 41 -1.459 -3.577 2.197 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.063 -2.842 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.523 -1.545 2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.240 -3.219 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.965 -2.693 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.130 -1.038 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.187 -0.913 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.567 -2.393 5.919 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.602 -0.204 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.035 -1.852 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.397 -1.231 9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.788 0.591 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.566 0.147 9.193 1.00 0.00 H new ATOM 597 N MET A 42 -3.336 -0.383 0.651 1.00 0.00 N ATOM 598 CA MET A 42 -2.802 0.858 0.103 1.00 0.00 C ATOM 599 C MET A 42 -3.140 2.040 1.006 1.00 0.00 C ATOM 600 O MET A 42 -3.932 1.914 1.939 1.00 0.00 O ATOM 601 CB MET A 42 -3.355 1.100 -1.303 1.00 0.00 C ATOM 602 CG MET A 42 -2.588 0.370 -2.392 1.00 0.00 C ATOM 603 SD MET A 42 -1.298 1.387 -3.135 1.00 0.00 S ATOM 604 CE MET A 42 -1.478 0.953 -4.864 1.00 0.00 C ATOM 0 H MET A 42 -4.355 -0.437 0.660 1.00 0.00 H new ATOM 0 HA MET A 42 -1.717 0.764 0.047 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.399 0.787 -1.333 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.337 2.170 -1.512 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.139 -0.531 -1.973 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.283 0.048 -3.167 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.610 0.379 -5.187 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.379 0.354 -4.997 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.555 1.862 -5.461 1.00 0.00 H new ATOM 614 N ALA A 43 -2.533 3.188 0.722 1.00 0.00 N ATOM 615 CA ALA A 43 -2.772 4.393 1.508 1.00 0.00 C ATOM 616 C ALA A 43 -2.990 5.602 0.605 1.00 0.00 C ATOM 617 O ALA A 43 -2.434 5.679 -0.491 1.00 0.00 O ATOM 618 CB ALA A 43 -1.609 4.643 2.457 1.00 0.00 C ATOM 0 H ALA A 43 -1.873 3.309 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.679 4.242 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.801 5.545 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.501 3.794 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.691 4.769 1.883 1.00 0.00 H new ATOM 624 N ILE A 44 -3.803 6.544 1.072 1.00 0.00 N ATOM 625 CA ILE A 44 -4.093 7.750 0.307 1.00 0.00 C ATOM 626 C ILE A 44 -4.012 8.993 1.187 1.00 0.00 C ATOM 627 O ILE A 44 -4.642 9.061 2.242 1.00 0.00 O ATOM 628 CB ILE A 44 -5.489 7.684 -0.340 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.581 6.483 -1.284 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.789 8.975 -1.086 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.986 6.203 -1.771 1.00 0.00 C ATOM 0 H ILE A 44 -4.272 6.495 1.976 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.340 7.814 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.233 7.562 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.935 6.657 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.200 5.599 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.779 8.913 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.760 9.813 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.043 9.126 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.975 5.339 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.632 5.997 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.364 7.071 -2.311 1.00 0.00 H new ATOM 643 N MET A 45 -3.232 9.974 0.745 1.00 0.00 N ATOM 644 CA MET A 45 -3.071 11.217 1.491 1.00 0.00 C ATOM 645 C MET A 45 -4.135 12.234 1.090 1.00 0.00 C ATOM 646 O MET A 45 -4.033 12.873 0.043 1.00 0.00 O ATOM 647 CB MET A 45 -1.676 11.800 1.256 1.00 0.00 C ATOM 648 CG MET A 45 -0.551 10.894 1.727 1.00 0.00 C ATOM 649 SD MET A 45 -0.104 11.178 3.450 1.00 0.00 S ATOM 650 CE MET A 45 -1.554 10.539 4.286 1.00 0.00 C ATOM 0 H MET A 45 -2.702 9.933 -0.125 1.00 0.00 H new ATOM 0 HA MET A 45 -3.190 10.994 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.549 12.000 0.192 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.600 12.758 1.771 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.851 9.854 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.325 11.052 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.274 10.180 5.277 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.297 11.331 4.383 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.975 9.716 3.708 1.00 0.00 H new ATOM 660 N VAL A 46 -5.155 12.378 1.930 1.00 0.00 N ATOM 661 CA VAL A 46 -6.237 13.318 1.663 1.00 0.00 C ATOM 662 C VAL A 46 -6.385 14.323 2.799 1.00 0.00 C ATOM 663 O VAL A 46 -5.780 14.169 3.860 1.00 0.00 O ATOM 664 CB VAL A 46 -7.578 12.588 1.461 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.536 11.731 0.205 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.914 11.743 2.681 1.00 0.00 C ATOM 0 H VAL A 46 -5.255 11.856 2.801 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.977 13.846 0.746 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.362 13.335 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.492 11.223 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.345 12.364 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.741 10.991 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.865 11.234 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.129 11.004 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.989 12.385 3.559 1.00 0.00 H new ATOM 676 N GLN A 47 -7.194 15.353 2.570 1.00 0.00 N ATOM 677 CA GLN A 47 -7.420 16.384 3.576 1.00 0.00 C ATOM 678 C GLN A 47 -8.716 16.126 4.338 1.00 0.00 C ATOM 679 O GLN A 47 -9.809 16.298 3.799 1.00 0.00 O ATOM 680 CB GLN A 47 -7.468 17.765 2.919 1.00 0.00 C ATOM 681 CG GLN A 47 -7.174 18.906 3.880 1.00 0.00 C ATOM 682 CD GLN A 47 -8.259 19.083 4.924 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.369 18.572 4.776 1.00 0.00 O ATOM 684 NE2 GLN A 47 -7.943 19.811 5.989 1.00 0.00 N ATOM 0 H GLN A 47 -7.703 15.495 1.698 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.591 16.354 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.748 17.795 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.454 17.915 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.222 18.721 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.063 19.832 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.011 20.216 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.633 19.965 6.725 1.00 0.00 H new ATOM 693 N SER A 48 -8.585 15.712 5.594 1.00 0.00 N ATOM 694 CA SER A 48 -9.745 15.425 6.430 1.00 0.00 C ATOM 695 C SER A 48 -10.354 16.714 6.974 1.00 0.00 C ATOM 696 O SER A 48 -9.656 17.599 7.470 1.00 0.00 O ATOM 697 CB SER A 48 -9.353 14.505 7.587 1.00 0.00 C ATOM 698 OG SER A 48 -10.493 13.884 8.154 1.00 0.00 O ATOM 0 H SER A 48 -7.687 15.568 6.055 1.00 0.00 H new ATOM 0 HA SER A 48 -10.490 14.923 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.659 13.743 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.830 15.080 8.352 1.00 0.00 H new ATOM 0 HG SER A 48 -10.215 13.300 8.890 1.00 0.00 H new ATOM 704 N PRO A 49 -11.687 16.823 6.881 1.00 0.00 N ATOM 705 CA PRO A 49 -12.421 17.999 7.359 1.00 0.00 C ATOM 706 C PRO A 49 -12.421 18.103 8.880 1.00 0.00 C ATOM 707 O PRO A 49 -12.712 19.160 9.439 1.00 0.00 O ATOM 708 CB PRO A 49 -13.842 17.766 6.839 1.00 0.00 C ATOM 709 CG PRO A 49 -13.953 16.288 6.689 1.00 0.00 C ATOM 710 CD PRO A 49 -12.582 15.807 6.302 1.00 0.00 C ATOM 0 HA PRO A 49 -11.972 18.929 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.587 18.150 7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.004 18.274 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.281 15.825 7.620 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.688 16.027 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.376 14.815 6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.470 15.743 5.220 1.00 0.00 H new ATOM 718 N MET A 50 -12.092 17.000 9.544 1.00 0.00 N ATOM 719 CA MET A 50 -12.052 16.969 11.002 1.00 0.00 C ATOM 720 C MET A 50 -10.663 17.331 11.516 1.00 0.00 C ATOM 721 O MET A 50 -10.521 18.129 12.442 1.00 0.00 O ATOM 722 CB MET A 50 -12.455 15.585 11.515 1.00 0.00 C ATOM 723 CG MET A 50 -13.912 15.241 11.256 1.00 0.00 C ATOM 724 SD MET A 50 -14.216 13.464 11.250 1.00 0.00 S ATOM 725 CE MET A 50 -14.200 13.124 9.492 1.00 0.00 C ATOM 0 H MET A 50 -11.849 16.116 9.096 1.00 0.00 H new ATOM 0 HA MET A 50 -12.761 17.708 11.376 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.823 14.833 11.042 1.00 0.00 H new ATOM 0 HB3 MET A 50 -12.263 15.534 12.587 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.533 15.709 12.020 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.215 15.661 10.297 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.375 12.061 9.325 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.984 13.702 9.002 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.231 13.402 9.076 1.00 0.00 H new ATOM 735 N PHE A 51 -9.639 16.739 10.909 1.00 0.00 N ATOM 736 CA PHE A 51 -8.261 16.998 11.306 1.00 0.00 C ATOM 737 C PHE A 51 -7.773 18.329 10.742 1.00 0.00 C ATOM 738 O PHE A 51 -8.401 18.907 9.855 1.00 0.00 O ATOM 739 CB PHE A 51 -7.349 15.865 10.831 1.00 0.00 C ATOM 740 CG PHE A 51 -6.139 15.665 11.699 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.276 15.290 13.026 1.00 0.00 C ATOM 742 CD2 PHE A 51 -4.865 15.851 11.188 1.00 0.00 C ATOM 743 CE1 PHE A 51 -5.165 15.106 13.826 1.00 0.00 C ATOM 744 CE2 PHE A 51 -3.750 15.669 11.983 1.00 0.00 C ATOM 745 CZ PHE A 51 -3.900 15.295 13.304 1.00 0.00 C ATOM 0 H PHE A 51 -9.739 16.076 10.140 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.227 17.050 12.394 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.921 14.938 10.800 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.024 16.074 9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.262 15.140 13.439 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.742 16.142 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.285 14.815 14.859 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.763 15.819 11.572 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.030 15.151 13.928 1.00 0.00 H new ATOM 755 N ASP A 52 -6.649 18.810 11.263 1.00 0.00 N ATOM 756 CA ASP A 52 -6.076 20.072 10.812 1.00 0.00 C ATOM 757 C ASP A 52 -4.976 19.832 9.782 1.00 0.00 C ATOM 758 O ASP A 52 -3.934 20.485 9.808 1.00 0.00 O ATOM 759 CB ASP A 52 -5.517 20.857 12.000 1.00 0.00 C ATOM 760 CG ASP A 52 -6.591 21.631 12.739 1.00 0.00 C ATOM 761 OD1 ASP A 52 -7.270 22.461 12.099 1.00 0.00 O ATOM 762 OD2 ASP A 52 -6.752 21.407 13.957 1.00 0.00 O ATOM 0 H ASP A 52 -6.117 18.344 11.998 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.868 20.655 10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.030 20.168 12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.752 21.549 11.647 1.00 0.00 H new ATOM 767 N GLY A 53 -5.216 18.889 8.876 1.00 0.00 N ATOM 768 CA GLY A 53 -4.236 18.579 7.851 1.00 0.00 C ATOM 769 C GLY A 53 -4.659 17.413 6.979 1.00 0.00 C ATOM 770 O GLY A 53 -5.807 17.340 6.540 1.00 0.00 O ATOM 0 H GLY A 53 -6.071 18.334 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.078 19.458 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.281 18.348 8.323 1.00 0.00 H new ATOM 774 N LYS A 54 -3.729 16.498 6.726 1.00 0.00 N ATOM 775 CA LYS A 54 -4.010 15.329 5.900 1.00 0.00 C ATOM 776 C LYS A 54 -4.004 14.056 6.740 1.00 0.00 C ATOM 777 O LYS A 54 -3.256 13.944 7.711 1.00 0.00 O ATOM 778 CB LYS A 54 -2.980 15.216 4.774 1.00 0.00 C ATOM 779 CG LYS A 54 -3.315 16.058 3.556 1.00 0.00 C ATOM 780 CD LYS A 54 -2.561 15.583 2.325 1.00 0.00 C ATOM 781 CE LYS A 54 -2.580 16.630 1.221 1.00 0.00 C ATOM 782 NZ LYS A 54 -1.907 16.144 -0.015 1.00 0.00 N ATOM 0 H LYS A 54 -2.774 16.543 7.081 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.002 15.451 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.004 15.516 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.898 14.172 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.387 16.014 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.069 17.101 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.530 15.355 2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.006 14.658 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.611 16.898 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.086 17.536 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.941 16.886 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.916 15.913 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.394 15.294 -0.364 1.00 0.00 H new ATOM 796 N VAL A 55 -4.842 13.097 6.358 1.00 0.00 N ATOM 797 CA VAL A 55 -4.931 11.830 7.074 1.00 0.00 C ATOM 798 C VAL A 55 -4.776 10.649 6.123 1.00 0.00 C ATOM 799 O VAL A 55 -5.364 10.610 5.042 1.00 0.00 O ATOM 800 CB VAL A 55 -6.271 11.701 7.822 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.427 12.823 8.838 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.432 11.697 6.838 1.00 0.00 C ATOM 0 H VAL A 55 -5.469 13.174 5.557 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.117 11.818 7.798 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.276 10.753 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.380 12.715 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.613 12.775 9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.400 13.784 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.371 11.605 7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.431 12.628 6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.326 10.855 6.154 1.00 0.00 H new ATOM 812 N PRO A 56 -3.966 9.661 6.532 1.00 0.00 N ATOM 813 CA PRO A 56 -3.716 8.459 5.731 1.00 0.00 C ATOM 814 C PRO A 56 -4.940 7.554 5.647 1.00 0.00 C ATOM 815 O PRO A 56 -5.416 7.041 6.661 1.00 0.00 O ATOM 816 CB PRO A 56 -2.584 7.759 6.487 1.00 0.00 C ATOM 817 CG PRO A 56 -2.718 8.232 7.893 1.00 0.00 C ATOM 818 CD PRO A 56 -3.233 9.642 7.809 1.00 0.00 C ATOM 0 HA PRO A 56 -3.471 8.701 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.677 6.675 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.610 8.020 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.405 7.598 8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.759 8.197 8.409 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.884 9.883 8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.420 10.368 7.817 1.00 0.00 H new ATOM 826 N HIS A 57 -5.445 7.360 4.433 1.00 0.00 N ATOM 827 CA HIS A 57 -6.614 6.514 4.217 1.00 0.00 C ATOM 828 C HIS A 57 -6.199 5.126 3.739 1.00 0.00 C ATOM 829 O HIS A 57 -5.661 4.972 2.642 1.00 0.00 O ATOM 830 CB HIS A 57 -7.554 7.158 3.198 1.00 0.00 C ATOM 831 CG HIS A 57 -8.350 8.298 3.754 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.465 8.813 3.127 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.189 9.021 4.886 1.00 0.00 C ATOM 834 CE1 HIS A 57 -9.954 9.805 3.849 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.198 9.952 4.922 1.00 0.00 N ATOM 0 H HIS A 57 -5.063 7.777 3.584 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.138 6.410 5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.969 7.514 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.238 6.400 2.817 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.852 8.480 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.412 8.890 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.824 10.396 3.604 1.00 0.00 H new ATOM 843 N TRP A 58 -6.451 4.120 4.568 1.00 0.00 N ATOM 844 CA TRP A 58 -6.103 2.745 4.229 1.00 0.00 C ATOM 845 C TRP A 58 -7.216 2.084 3.422 1.00 0.00 C ATOM 846 O TRP A 58 -8.364 2.028 3.862 1.00 0.00 O ATOM 847 CB TRP A 58 -5.830 1.938 5.500 1.00 0.00 C ATOM 848 CG TRP A 58 -4.679 2.465 6.302 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.746 3.149 7.481 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.288 2.351 5.980 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.481 3.468 7.913 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.569 2.989 7.011 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.580 1.771 4.924 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.179 3.063 7.012 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.200 1.845 4.927 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.511 2.486 5.966 1.00 0.00 C ATOM 0 H TRP A 58 -6.895 4.230 5.480 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.200 2.765 3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.726 1.937 6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.630 0.902 5.228 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.659 3.402 7.999 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.258 3.979 8.767 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.102 1.274 4.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.646 3.558 7.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.643 1.401 4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.568 2.525 5.941 1.00 0.00 H new ATOM 867 N TYR A 59 -6.868 1.586 2.241 1.00 0.00 N ATOM 868 CA TYR A 59 -7.839 0.931 1.372 1.00 0.00 C ATOM 869 C TYR A 59 -7.365 -0.465 0.981 1.00 0.00 C ATOM 870 O TYR A 59 -6.214 -0.656 0.589 1.00 0.00 O ATOM 871 CB TYR A 59 -8.078 1.771 0.116 1.00 0.00 C ATOM 872 CG TYR A 59 -8.948 2.984 0.355 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.332 2.872 0.398 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.386 4.241 0.538 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.131 3.978 0.615 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.177 5.352 0.757 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.549 5.216 0.795 1.00 0.00 C ATOM 878 OH TYR A 59 -11.342 6.319 1.013 1.00 0.00 O ATOM 0 H TYR A 59 -5.921 1.623 1.863 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.775 0.836 1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.117 2.097 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.543 1.146 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.791 1.904 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.312 4.352 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.206 3.874 0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.724 6.322 0.898 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.777 7.112 1.121 1.00 0.00 H new ATOM 888 N HIS A 60 -8.263 -1.440 1.092 1.00 0.00 N ATOM 889 CA HIS A 60 -7.939 -2.820 0.749 1.00 0.00 C ATOM 890 C HIS A 60 -7.290 -2.900 -0.629 1.00 0.00 C ATOM 891 O HIS A 60 -7.328 -1.941 -1.401 1.00 0.00 O ATOM 892 CB HIS A 60 -9.198 -3.686 0.784 1.00 0.00 C ATOM 893 CG HIS A 60 -9.626 -4.066 2.168 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.790 -3.608 2.748 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.039 -4.868 3.087 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.900 -4.110 3.965 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.850 -4.878 4.195 1.00 0.00 N ATOM 0 H HIS A 60 -9.220 -1.299 1.417 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.230 -3.194 1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.012 -3.150 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.021 -4.593 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.107 -5.401 2.970 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.710 -3.924 4.654 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.671 -5.395 5.056 1.00 0.00 H new ATOM 905 N PHE A 61 -6.693 -4.048 -0.931 1.00 0.00 N ATOM 906 CA PHE A 61 -6.034 -4.252 -2.216 1.00 0.00 C ATOM 907 C PHE A 61 -7.003 -4.008 -3.369 1.00 0.00 C ATOM 908 O PHE A 61 -6.641 -3.408 -4.381 1.00 0.00 O ATOM 909 CB PHE A 61 -5.467 -5.671 -2.303 1.00 0.00 C ATOM 910 CG PHE A 61 -4.633 -5.909 -3.529 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.583 -5.061 -3.844 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.898 -6.981 -4.366 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.813 -5.278 -4.971 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.131 -7.202 -5.494 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.088 -6.349 -5.798 1.00 0.00 C ATOM 0 H PHE A 61 -6.652 -4.851 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.216 -3.536 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.862 -5.867 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.291 -6.384 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.364 -4.221 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.713 -7.651 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.997 -4.610 -5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.347 -8.042 -6.138 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.489 -6.519 -6.680 1.00 0.00 H new ATOM 925 N SER A 62 -8.236 -4.478 -3.208 1.00 0.00 N ATOM 926 CA SER A 62 -9.256 -4.315 -4.237 1.00 0.00 C ATOM 927 C SER A 62 -9.979 -2.980 -4.079 1.00 0.00 C ATOM 928 O SER A 62 -10.185 -2.253 -5.051 1.00 0.00 O ATOM 929 CB SER A 62 -10.264 -5.464 -4.172 1.00 0.00 C ATOM 930 OG SER A 62 -9.614 -6.719 -4.282 1.00 0.00 O ATOM 0 H SER A 62 -8.553 -4.974 -2.375 1.00 0.00 H new ATOM 0 HA SER A 62 -8.762 -4.328 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.814 -5.417 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.994 -5.357 -4.974 1.00 0.00 H new ATOM 0 HG SER A 62 -10.279 -7.437 -4.236 1.00 0.00 H new ATOM 936 N CYS A 63 -10.362 -2.665 -2.846 1.00 0.00 N ATOM 937 CA CYS A 63 -11.062 -1.419 -2.558 1.00 0.00 C ATOM 938 C CYS A 63 -10.258 -0.217 -3.046 1.00 0.00 C ATOM 939 O CYS A 63 -10.802 0.697 -3.665 1.00 0.00 O ATOM 940 CB CYS A 63 -11.326 -1.293 -1.056 1.00 0.00 C ATOM 941 SG CYS A 63 -12.450 -2.562 -0.390 1.00 0.00 S ATOM 0 H CYS A 63 -10.199 -3.256 -2.030 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.014 -1.436 -3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.376 -1.350 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.746 -0.308 -0.853 1.00 0.00 H new ATOM 946 N PHE A 64 -8.959 -0.227 -2.764 1.00 0.00 N ATOM 947 CA PHE A 64 -8.079 0.861 -3.173 1.00 0.00 C ATOM 948 C PHE A 64 -8.309 1.224 -4.637 1.00 0.00 C ATOM 949 O PHE A 64 -8.157 2.380 -5.032 1.00 0.00 O ATOM 950 CB PHE A 64 -6.616 0.472 -2.956 1.00 0.00 C ATOM 951 CG PHE A 64 -5.641 1.467 -3.517 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.451 2.694 -2.901 1.00 0.00 C ATOM 953 CD2 PHE A 64 -4.914 1.176 -4.660 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.555 3.612 -3.414 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.016 2.090 -5.177 1.00 0.00 C ATOM 956 CZ PHE A 64 -3.837 3.310 -4.555 1.00 0.00 C ATOM 0 H PHE A 64 -8.493 -0.977 -2.254 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.310 1.732 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.433 0.359 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.435 -0.500 -3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.010 2.935 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.051 0.224 -5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.416 4.564 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.454 1.850 -6.068 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.137 4.026 -4.960 1.00 0.00 H new ATOM 966 N TRP A 65 -8.674 0.229 -5.437 1.00 0.00 N ATOM 967 CA TRP A 65 -8.924 0.443 -6.858 1.00 0.00 C ATOM 968 C TRP A 65 -10.394 0.759 -7.111 1.00 0.00 C ATOM 969 O TRP A 65 -10.729 1.505 -8.031 1.00 0.00 O ATOM 970 CB TRP A 65 -8.510 -0.792 -7.661 1.00 0.00 C ATOM 971 CG TRP A 65 -7.106 -1.237 -7.383 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.718 -2.414 -6.809 1.00 0.00 C ATOM 973 CD2 TRP A 65 -5.904 -0.511 -7.666 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.348 -2.464 -6.718 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.825 -1.309 -7.237 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.635 0.733 -8.241 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.501 -0.900 -7.366 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.320 1.138 -8.367 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.266 0.324 -7.932 1.00 0.00 C ATOM 0 H TRP A 65 -8.803 -0.734 -5.126 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.327 1.296 -7.182 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.194 -1.610 -7.435 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.611 -0.576 -8.725 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.390 -3.191 -6.476 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.808 -3.236 -6.327 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.440 1.367 -8.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.687 -1.526 -7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.101 2.099 -8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.249 0.669 -8.045 1.00 0.00 H new ATOM 990 N LYS A 66 -11.267 0.188 -6.288 1.00 0.00 N ATOM 991 CA LYS A 66 -12.702 0.410 -6.422 1.00 0.00 C ATOM 992 C LYS A 66 -13.035 1.895 -6.312 1.00 0.00 C ATOM 993 O LYS A 66 -13.713 2.455 -7.174 1.00 0.00 O ATOM 994 CB LYS A 66 -13.462 -0.374 -5.350 1.00 0.00 C ATOM 995 CG LYS A 66 -13.548 -1.864 -5.633 1.00 0.00 C ATOM 996 CD LYS A 66 -14.729 -2.500 -4.920 1.00 0.00 C ATOM 997 CE LYS A 66 -14.500 -3.984 -4.676 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.777 -4.710 -4.433 1.00 0.00 N ATOM 0 H LYS A 66 -11.006 -0.432 -5.521 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.009 0.058 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.974 -0.223 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.471 0.030 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.640 -2.027 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.625 -2.349 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.896 -1.995 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.632 -2.363 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.993 -4.420 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.840 -4.113 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.578 -5.718 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.249 -4.312 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.397 -4.608 -5.262 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.553 2.528 -5.247 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.798 3.948 -5.026 1.00 0.00 C ATOM 1014 C VAL A 67 -12.693 4.733 -6.329 1.00 0.00 C ATOM 1015 O VAL A 67 -13.395 5.724 -6.526 1.00 0.00 O ATOM 1016 CB VAL A 67 -11.806 4.536 -4.004 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.043 3.939 -2.625 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.373 4.301 -4.457 1.00 0.00 C ATOM 0 H VAL A 67 -11.991 2.080 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.810 4.037 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.971 5.612 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.333 4.366 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.059 4.164 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.907 2.858 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.686 4.723 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.192 3.230 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.213 4.782 -5.422 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.812 4.282 -7.216 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.632 4.953 -8.490 1.00 0.00 C ATOM 1030 C GLY A 68 -10.327 5.722 -8.561 1.00 0.00 C ATOM 1031 O GLY A 68 -10.294 6.860 -9.030 1.00 0.00 O ATOM 0 H GLY A 68 -11.219 3.464 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.660 4.216 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.463 5.638 -8.657 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.250 5.100 -8.093 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.936 5.734 -8.104 1.00 0.00 C ATOM 1037 C HIS A 69 -6.972 4.969 -9.005 1.00 0.00 C ATOM 1038 O HIS A 69 -6.611 3.827 -8.718 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.372 5.813 -6.685 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.889 6.978 -5.900 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.085 8.014 -5.473 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.138 7.270 -5.465 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.816 8.891 -4.808 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -9.066 8.463 -4.789 1.00 0.00 N ATOM 0 H HIS A 69 -9.261 4.158 -7.702 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.051 6.744 -8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.614 4.892 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.285 5.874 -6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.026 6.675 -5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.453 9.803 -4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.850 8.941 -4.345 1.00 0.00 H new ATOM 1052 N SER A 70 -6.559 5.605 -10.097 1.00 0.00 N ATOM 1053 CA SER A 70 -5.640 4.982 -11.043 1.00 0.00 C ATOM 1054 C SER A 70 -4.201 5.402 -10.758 1.00 0.00 C ATOM 1055 O SER A 70 -3.956 6.409 -10.093 1.00 0.00 O ATOM 1056 CB SER A 70 -6.018 5.358 -12.477 1.00 0.00 C ATOM 1057 OG SER A 70 -7.084 4.553 -12.950 1.00 0.00 O ATOM 0 H SER A 70 -6.846 6.551 -10.348 1.00 0.00 H new ATOM 0 HA SER A 70 -5.715 3.901 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.306 6.409 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.152 5.240 -13.128 1.00 0.00 H new ATOM 0 HG SER A 70 -7.308 4.814 -13.868 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.252 4.623 -11.267 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.838 4.913 -11.069 1.00 0.00 C ATOM 1065 C ILE A 71 -1.013 4.479 -12.276 1.00 0.00 C ATOM 1066 O ILE A 71 -1.099 3.333 -12.719 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.290 4.216 -9.810 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.043 4.696 -8.567 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.201 4.476 -9.666 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.748 3.878 -7.329 1.00 0.00 C ATOM 0 H ILE A 71 -3.437 3.786 -11.820 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.753 5.992 -10.942 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.442 3.142 -9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.784 5.737 -8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.114 4.665 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.573 3.977 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.724 4.090 -10.541 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.377 5.548 -9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.316 4.275 -6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.033 2.840 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.683 3.929 -7.105 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.213 5.400 -12.802 1.00 0.00 N ATOM 1083 CA ARG A 72 0.628 5.112 -13.957 1.00 0.00 C ATOM 1084 C ARG A 72 1.876 4.338 -13.542 1.00 0.00 C ATOM 1085 O ARG A 72 2.132 3.241 -14.038 1.00 0.00 O ATOM 1086 CB ARG A 72 1.030 6.411 -14.658 1.00 0.00 C ATOM 1087 CG ARG A 72 0.051 6.851 -15.735 1.00 0.00 C ATOM 1088 CD ARG A 72 0.163 5.982 -16.978 1.00 0.00 C ATOM 1089 NE ARG A 72 -0.761 6.405 -18.027 1.00 0.00 N ATOM 1090 CZ ARG A 72 -0.682 5.993 -19.287 1.00 0.00 C ATOM 1091 NH1 ARG A 72 0.274 5.150 -19.653 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -1.560 6.423 -20.184 1.00 0.00 N ATOM 0 H ARG A 72 -0.130 6.352 -12.447 1.00 0.00 H new ATOM 0 HA ARG A 72 0.053 4.496 -14.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.119 7.203 -13.914 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.016 6.282 -15.106 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.966 6.802 -15.346 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.242 7.891 -15.999 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.184 6.021 -17.357 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.039 4.944 -16.714 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.508 7.053 -17.778 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.950 4.817 -18.966 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.333 4.835 -20.621 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.297 7.071 -19.906 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.498 6.106 -21.151 1.00 0.00 H new ATOM 1106 N HIS A 73 2.649 4.918 -12.629 1.00 0.00 N ATOM 1107 CA HIS A 73 3.870 4.283 -12.147 1.00 0.00 C ATOM 1108 C HIS A 73 3.855 4.161 -10.626 1.00 0.00 C ATOM 1109 O HIS A 73 4.313 5.047 -9.904 1.00 0.00 O ATOM 1110 CB HIS A 73 5.096 5.080 -12.594 1.00 0.00 C ATOM 1111 CG HIS A 73 5.019 5.551 -14.014 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.728 4.964 -15.041 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.310 6.557 -14.576 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.459 5.590 -16.173 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.601 6.561 -15.918 1.00 0.00 N ATOM 0 H HIS A 73 2.451 5.826 -12.209 1.00 0.00 H new ATOM 0 HA HIS A 73 3.922 3.281 -12.574 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.216 5.943 -11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.985 4.462 -12.473 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.640 7.232 -14.064 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.871 5.349 -17.142 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.217 7.209 -16.606 1.00 0.00 H new ATOM 1123 N PRO A 74 3.317 3.038 -10.127 1.00 0.00 N ATOM 1124 CA PRO A 74 3.229 2.774 -8.688 1.00 0.00 C ATOM 1125 C PRO A 74 4.595 2.514 -8.062 1.00 0.00 C ATOM 1126 O PRO A 74 4.727 2.456 -6.840 1.00 0.00 O ATOM 1127 CB PRO A 74 2.357 1.519 -8.610 1.00 0.00 C ATOM 1128 CG PRO A 74 2.550 0.842 -9.923 1.00 0.00 C ATOM 1129 CD PRO A 74 2.753 1.940 -10.930 1.00 0.00 C ATOM 0 HA PRO A 74 2.824 3.625 -8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.662 0.876 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.310 1.774 -8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.411 0.174 -9.895 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.683 0.233 -10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.432 1.635 -11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.815 2.229 -11.404 1.00 0.00 H new ATOM 1137 N ASP A 75 5.608 2.359 -8.907 1.00 0.00 N ATOM 1138 CA ASP A 75 6.965 2.106 -8.437 1.00 0.00 C ATOM 1139 C ASP A 75 7.500 3.301 -7.654 1.00 0.00 C ATOM 1140 O ASP A 75 8.194 3.139 -6.650 1.00 0.00 O ATOM 1141 CB ASP A 75 7.888 1.799 -9.617 1.00 0.00 C ATOM 1142 CG ASP A 75 9.271 1.365 -9.172 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.747 1.870 -8.133 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.877 0.519 -9.862 1.00 0.00 O ATOM 0 H ASP A 75 5.515 2.404 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 75 6.938 1.242 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.443 1.014 -10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.973 2.684 -10.248 1.00 0.00 H new ATOM 1149 N VAL A 76 7.173 4.502 -8.121 1.00 0.00 N ATOM 1150 CA VAL A 76 7.621 5.725 -7.465 1.00 0.00 C ATOM 1151 C VAL A 76 6.467 6.417 -6.747 1.00 0.00 C ATOM 1152 O VAL A 76 6.641 6.965 -5.659 1.00 0.00 O ATOM 1153 CB VAL A 76 8.246 6.707 -8.474 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.479 6.096 -9.120 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.225 7.108 -9.528 1.00 0.00 C ATOM 0 H VAL A 76 6.600 4.654 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 76 8.378 5.435 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 76 8.554 7.605 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.907 6.804 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.215 5.864 -8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.200 5.181 -9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.683 7.802 -10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.885 6.220 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.374 7.589 -9.046 1.00 0.00 H new ATOM 1165 N GLU A 77 5.290 6.386 -7.363 1.00 0.00 N ATOM 1166 CA GLU A 77 4.108 7.011 -6.782 1.00 0.00 C ATOM 1167 C GLU A 77 3.714 6.323 -5.478 1.00 0.00 C ATOM 1168 O GLU A 77 3.549 6.972 -4.445 1.00 0.00 O ATOM 1169 CB GLU A 77 2.940 6.963 -7.770 1.00 0.00 C ATOM 1170 CG GLU A 77 3.177 7.775 -9.032 1.00 0.00 C ATOM 1171 CD GLU A 77 1.890 8.298 -9.639 1.00 0.00 C ATOM 1172 OE1 GLU A 77 0.972 7.485 -9.876 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.801 9.521 -9.878 1.00 0.00 O ATOM 0 H GLU A 77 5.129 5.935 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 77 4.349 8.052 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.751 5.926 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.041 7.330 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.833 8.614 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.695 7.157 -9.765 1.00 0.00 H new ATOM 1180 N VAL A 78 3.565 5.003 -5.534 1.00 0.00 N ATOM 1181 CA VAL A 78 3.191 4.226 -4.359 1.00 0.00 C ATOM 1182 C VAL A 78 4.416 3.862 -3.527 1.00 0.00 C ATOM 1183 O VAL A 78 5.311 3.160 -3.997 1.00 0.00 O ATOM 1184 CB VAL A 78 2.450 2.934 -4.753 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.079 2.132 -3.515 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.214 3.260 -5.578 1.00 0.00 C ATOM 0 H VAL A 78 3.698 4.450 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 78 2.525 4.852 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 78 3.116 2.325 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.556 1.223 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.984 1.867 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.430 2.730 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.703 2.336 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.542 3.889 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.510 3.789 -6.484 1.00 0.00 H new ATOM 1196 N ASP A 79 4.449 4.345 -2.290 1.00 0.00 N ATOM 1197 CA ASP A 79 5.564 4.070 -1.392 1.00 0.00 C ATOM 1198 C ASP A 79 5.483 2.648 -0.845 1.00 0.00 C ATOM 1199 O ASP A 79 4.419 2.191 -0.430 1.00 0.00 O ATOM 1200 CB ASP A 79 5.576 5.074 -0.237 1.00 0.00 C ATOM 1201 CG ASP A 79 6.878 5.047 0.540 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.868 4.490 0.020 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.907 5.583 1.667 1.00 0.00 O ATOM 0 H ASP A 79 3.716 4.929 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 79 6.489 4.170 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.411 6.077 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.749 4.856 0.438 1.00 0.00 H new ATOM 1208 N GLY A 80 6.617 1.953 -0.849 1.00 0.00 N ATOM 1209 CA GLY A 80 6.652 0.590 -0.352 1.00 0.00 C ATOM 1210 C GLY A 80 6.719 -0.433 -1.469 1.00 0.00 C ATOM 1211 O GLY A 80 7.379 -1.464 -1.338 1.00 0.00 O ATOM 0 H GLY A 80 7.511 2.309 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.516 0.467 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.765 0.404 0.254 1.00 0.00 H new ATOM 1215 N PHE A 81 6.032 -0.149 -2.571 1.00 0.00 N ATOM 1216 CA PHE A 81 6.014 -1.053 -3.715 1.00 0.00 C ATOM 1217 C PHE A 81 7.389 -1.675 -3.939 1.00 0.00 C ATOM 1218 O PHE A 81 7.513 -2.887 -4.116 1.00 0.00 O ATOM 1219 CB PHE A 81 5.567 -0.307 -4.974 1.00 0.00 C ATOM 1220 CG PHE A 81 5.756 -1.098 -6.237 1.00 0.00 C ATOM 1221 CD1 PHE A 81 4.767 -1.958 -6.686 1.00 0.00 C ATOM 1222 CD2 PHE A 81 6.922 -0.980 -6.976 1.00 0.00 C ATOM 1223 CE1 PHE A 81 4.939 -2.687 -7.848 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.099 -1.706 -8.139 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.106 -2.560 -8.576 1.00 0.00 C ATOM 0 H PHE A 81 5.481 0.700 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 81 5.304 -1.853 -3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.515 -0.041 -4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.125 0.626 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.852 -2.060 -6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.702 -0.313 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.161 -3.356 -8.186 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.013 -1.605 -8.705 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.241 -3.127 -9.485 1.00 0.00 H new ATOM 1235 N SER A 82 8.420 -0.836 -3.930 1.00 0.00 N ATOM 1236 CA SER A 82 9.786 -1.301 -4.136 1.00 0.00 C ATOM 1237 C SER A 82 10.165 -2.352 -3.097 1.00 0.00 C ATOM 1238 O SER A 82 10.851 -3.326 -3.405 1.00 0.00 O ATOM 1239 CB SER A 82 10.763 -0.126 -4.070 1.00 0.00 C ATOM 1240 OG SER A 82 12.103 -0.569 -4.196 1.00 0.00 O ATOM 0 H SER A 82 8.335 0.170 -3.782 1.00 0.00 H new ATOM 0 HA SER A 82 9.843 -1.756 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.536 0.585 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.639 0.402 -3.124 1.00 0.00 H new ATOM 0 HG SER A 82 12.708 0.201 -4.152 1.00 0.00 H new ATOM 1246 N GLU A 83 9.713 -2.145 -1.864 1.00 0.00 N ATOM 1247 CA GLU A 83 10.005 -3.074 -0.778 1.00 0.00 C ATOM 1248 C GLU A 83 9.365 -4.434 -1.039 1.00 0.00 C ATOM 1249 O GLU A 83 9.980 -5.477 -0.808 1.00 0.00 O ATOM 1250 CB GLU A 83 9.505 -2.510 0.553 1.00 0.00 C ATOM 1251 CG GLU A 83 10.376 -1.395 1.108 1.00 0.00 C ATOM 1252 CD GLU A 83 11.833 -1.542 0.713 1.00 0.00 C ATOM 1253 OE1 GLU A 83 12.190 -1.124 -0.408 1.00 0.00 O ATOM 1254 OE2 GLU A 83 12.616 -2.076 1.527 1.00 0.00 O ATOM 0 H GLU A 83 9.144 -1.343 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 83 11.086 -3.204 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.490 -2.135 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.454 -3.317 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.002 -0.435 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.297 -1.384 2.195 1.00 0.00 H new ATOM 1261 N LEU A 84 8.128 -4.417 -1.521 1.00 0.00 N ATOM 1262 CA LEU A 84 7.403 -5.649 -1.814 1.00 0.00 C ATOM 1263 C LEU A 84 8.289 -6.637 -2.565 1.00 0.00 C ATOM 1264 O LEU A 84 9.245 -6.244 -3.235 1.00 0.00 O ATOM 1265 CB LEU A 84 6.149 -5.343 -2.635 1.00 0.00 C ATOM 1266 CG LEU A 84 5.110 -4.444 -1.965 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.926 -4.215 -2.891 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.649 -5.052 -0.648 1.00 0.00 C ATOM 0 H LEU A 84 7.605 -3.564 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 84 7.108 -6.102 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.457 -4.874 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.670 -6.287 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 84 5.573 -3.480 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.197 -3.573 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.269 -3.736 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.463 -5.172 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.910 -4.399 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.204 -6.029 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.503 -5.164 0.020 1.00 0.00 H new ATOM 1280 N ARG A 85 7.964 -7.920 -2.451 1.00 0.00 N ATOM 1281 CA ARG A 85 8.730 -8.965 -3.120 1.00 0.00 C ATOM 1282 C ARG A 85 8.653 -8.809 -4.636 1.00 0.00 C ATOM 1283 O ARG A 85 7.835 -8.046 -5.150 1.00 0.00 O ATOM 1284 CB ARG A 85 8.215 -10.346 -2.712 1.00 0.00 C ATOM 1285 CG ARG A 85 8.360 -10.636 -1.227 1.00 0.00 C ATOM 1286 CD ARG A 85 9.807 -10.919 -0.854 1.00 0.00 C ATOM 1287 NE ARG A 85 10.012 -10.907 0.592 1.00 0.00 N ATOM 1288 CZ ARG A 85 10.262 -9.804 1.290 1.00 0.00 C ATOM 1289 NH1 ARG A 85 10.337 -8.631 0.677 1.00 0.00 N ATOM 1290 NH2 ARG A 85 10.436 -9.874 2.603 1.00 0.00 N ATOM 0 H ARG A 85 7.175 -8.261 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 85 9.772 -8.869 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.164 -10.429 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.754 -11.107 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.994 -9.786 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.740 -11.492 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.101 -11.889 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.453 -10.174 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 85 9.960 -11.794 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.203 -8.574 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.529 -7.786 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.378 -10.775 3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.628 -9.027 3.138 1.00 0.00 H new ATOM 1304 N TRP A 86 9.510 -9.535 -5.345 1.00 0.00 N ATOM 1305 CA TRP A 86 9.539 -9.477 -6.802 1.00 0.00 C ATOM 1306 C TRP A 86 8.201 -9.909 -7.391 1.00 0.00 C ATOM 1307 O TRP A 86 7.647 -9.235 -8.259 1.00 0.00 O ATOM 1308 CB TRP A 86 10.660 -10.364 -7.346 1.00 0.00 C ATOM 1309 CG TRP A 86 10.522 -10.666 -8.807 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.029 -9.939 -9.846 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.829 -11.775 -9.391 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.693 -10.530 -11.041 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.958 -11.658 -10.789 1.00 0.00 C ATOM 1314 CE3 TRP A 86 9.115 -12.857 -8.869 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.398 -12.581 -11.668 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 8.559 -13.772 -9.743 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.703 -13.630 -11.129 1.00 0.00 C ATOM 0 H TRP A 86 10.194 -10.171 -4.935 1.00 0.00 H new ATOM 0 HA TRP A 86 9.727 -8.444 -7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.618 -9.874 -7.173 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.676 -11.301 -6.789 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.608 -9.033 -9.744 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.950 -10.184 -11.966 1.00 0.00 H new ATOM 0 HE3 TRP A 86 9.000 -12.976 -7.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.508 -12.473 -12.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 8.004 -14.611 -9.350 1.00 0.00 H new ATOM 0 HH2 TRP A 86 8.257 -14.363 -11.785 1.00 0.00 H new ATOM 1328 N ASP A 87 7.686 -11.037 -6.913 1.00 0.00 N ATOM 1329 CA ASP A 87 6.411 -11.558 -7.391 1.00 0.00 C ATOM 1330 C ASP A 87 5.287 -10.556 -7.146 1.00 0.00 C ATOM 1331 O ASP A 87 4.663 -10.066 -8.087 1.00 0.00 O ATOM 1332 CB ASP A 87 6.087 -12.885 -6.702 1.00 0.00 C ATOM 1333 CG ASP A 87 5.035 -13.682 -7.447 1.00 0.00 C ATOM 1334 OD1 ASP A 87 5.201 -13.891 -8.667 1.00 0.00 O ATOM 1335 OD2 ASP A 87 4.043 -14.098 -6.810 1.00 0.00 O ATOM 0 H ASP A 87 8.132 -11.608 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 87 6.496 -11.726 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.997 -13.479 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.740 -12.689 -5.688 1.00 0.00 H new ATOM 1340 N ASP A 88 5.035 -10.257 -5.877 1.00 0.00 N ATOM 1341 CA ASP A 88 3.986 -9.313 -5.507 1.00 0.00 C ATOM 1342 C ASP A 88 4.057 -8.057 -6.371 1.00 0.00 C ATOM 1343 O ASP A 88 3.071 -7.668 -6.997 1.00 0.00 O ATOM 1344 CB ASP A 88 4.106 -8.938 -4.030 1.00 0.00 C ATOM 1345 CG ASP A 88 4.072 -10.150 -3.120 1.00 0.00 C ATOM 1346 OD1 ASP A 88 4.696 -11.173 -3.471 1.00 0.00 O ATOM 1347 OD2 ASP A 88 3.420 -10.077 -2.057 1.00 0.00 O ATOM 0 H ASP A 88 5.543 -10.654 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 88 3.022 -9.794 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.037 -8.394 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.293 -8.263 -3.762 1.00 0.00 H new ATOM 1352 N GLN A 89 5.227 -7.429 -6.398 1.00 0.00 N ATOM 1353 CA GLN A 89 5.425 -6.216 -7.184 1.00 0.00 C ATOM 1354 C GLN A 89 4.731 -6.326 -8.537 1.00 0.00 C ATOM 1355 O GLN A 89 4.019 -5.413 -8.955 1.00 0.00 O ATOM 1356 CB GLN A 89 6.918 -5.950 -7.383 1.00 0.00 C ATOM 1357 CG GLN A 89 7.571 -5.238 -6.209 1.00 0.00 C ATOM 1358 CD GLN A 89 9.064 -5.054 -6.395 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.804 -6.024 -6.564 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.515 -3.806 -6.366 1.00 0.00 N ATOM 0 H GLN A 89 6.052 -7.739 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 89 4.985 -5.382 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.428 -6.898 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.055 -5.350 -8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.103 -4.263 -6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.390 -5.807 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.866 -3.032 -6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.511 -3.621 -6.486 1.00 0.00 H new ATOM 1369 N GLN A 90 4.943 -7.448 -9.217 1.00 0.00 N ATOM 1370 CA GLN A 90 4.338 -7.675 -10.524 1.00 0.00 C ATOM 1371 C GLN A 90 2.817 -7.603 -10.440 1.00 0.00 C ATOM 1372 O GLN A 90 2.161 -7.053 -11.325 1.00 0.00 O ATOM 1373 CB GLN A 90 4.766 -9.035 -11.079 1.00 0.00 C ATOM 1374 CG GLN A 90 6.274 -9.212 -11.159 1.00 0.00 C ATOM 1375 CD GLN A 90 6.694 -10.142 -12.280 1.00 0.00 C ATOM 1376 OE1 GLN A 90 7.154 -9.697 -13.332 1.00 0.00 O ATOM 1377 NE2 GLN A 90 6.537 -11.442 -12.060 1.00 0.00 N ATOM 0 H GLN A 90 5.529 -8.214 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 90 4.684 -6.891 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.349 -9.822 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.340 -9.162 -12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.743 -8.239 -11.305 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.641 -9.604 -10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.152 -11.766 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.802 -12.116 -12.778 1.00 0.00 H new ATOM 1386 N LYS A 91 2.262 -8.162 -9.371 1.00 0.00 N ATOM 1387 CA LYS A 91 0.818 -8.162 -9.169 1.00 0.00 C ATOM 1388 C LYS A 91 0.259 -6.744 -9.239 1.00 0.00 C ATOM 1389 O LYS A 91 -0.689 -6.475 -9.977 1.00 0.00 O ATOM 1390 CB LYS A 91 0.470 -8.791 -7.818 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.023 -8.868 -7.549 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.310 -9.320 -6.127 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.327 -10.837 -6.017 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.583 -11.419 -6.567 1.00 0.00 N ATOM 0 H LYS A 91 2.791 -8.622 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 91 0.366 -8.753 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.891 -9.796 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.944 -8.213 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.475 -7.891 -7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.485 -9.561 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.554 -8.914 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.271 -8.920 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.471 -11.249 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.220 -11.127 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.625 -12.433 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.403 -10.935 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.599 -11.297 -7.600 1.00 0.00 H new ATOM 1408 N VAL A 92 0.854 -5.839 -8.468 1.00 0.00 N ATOM 1409 CA VAL A 92 0.418 -4.448 -8.445 1.00 0.00 C ATOM 1410 C VAL A 92 0.615 -3.788 -9.805 1.00 0.00 C ATOM 1411 O VAL A 92 -0.228 -3.015 -10.261 1.00 0.00 O ATOM 1412 CB VAL A 92 1.179 -3.639 -7.379 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.724 -2.187 -7.384 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.990 -4.260 -6.003 1.00 0.00 C ATOM 0 H VAL A 92 1.640 -6.045 -7.851 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.643 -4.453 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 92 2.242 -3.663 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.273 -1.631 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.916 -1.749 -8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.343 -2.139 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.535 -3.675 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.070 -4.269 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.370 -5.282 -6.010 1.00 0.00 H new ATOM 1424 N LYS A 93 1.734 -4.098 -10.451 1.00 0.00 N ATOM 1425 CA LYS A 93 2.043 -3.537 -11.761 1.00 0.00 C ATOM 1426 C LYS A 93 0.826 -3.594 -12.678 1.00 0.00 C ATOM 1427 O LYS A 93 0.266 -2.561 -13.048 1.00 0.00 O ATOM 1428 CB LYS A 93 3.211 -4.292 -12.399 1.00 0.00 C ATOM 1429 CG LYS A 93 4.551 -4.005 -11.744 1.00 0.00 C ATOM 1430 CD LYS A 93 5.033 -2.598 -12.053 1.00 0.00 C ATOM 1431 CE LYS A 93 5.848 -2.557 -13.337 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.706 -1.342 -13.411 1.00 0.00 N ATOM 0 H LYS A 93 2.443 -4.735 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 93 2.324 -2.493 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.012 -5.363 -12.347 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.269 -4.029 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.464 -4.132 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.289 -4.728 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.176 -1.930 -12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.638 -2.230 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.473 -3.448 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.176 -2.580 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.245 -1.351 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.108 -0.492 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.365 -1.333 -12.607 1.00 0.00 H new ATOM 1446 N LYS A 94 0.419 -4.806 -13.040 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.734 -4.998 -13.912 1.00 0.00 C ATOM 1448 C LYS A 94 -2.012 -4.508 -13.239 1.00 0.00 C ATOM 1449 O LYS A 94 -2.730 -3.668 -13.782 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.876 -6.475 -14.286 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.888 -7.408 -13.087 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.411 -8.801 -13.460 1.00 0.00 C ATOM 1453 CE LYS A 94 0.255 -9.497 -12.283 1.00 0.00 C ATOM 1454 NZ LYS A 94 0.950 -10.746 -12.697 1.00 0.00 N ATOM 0 H LYS A 94 0.871 -5.671 -12.743 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.574 -4.414 -14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.798 -6.611 -14.851 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.054 -6.755 -14.945 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.250 -7.002 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.897 -7.465 -12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.257 -9.396 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.292 -8.736 -14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.972 -8.820 -11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.496 -9.732 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.391 -11.190 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.262 -11.403 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.684 -10.519 -13.398 1.00 0.00 H new ATOM 1468 N THR A 95 -2.291 -5.037 -12.051 1.00 0.00 N ATOM 1469 CA THR A 95 -3.482 -4.654 -11.304 1.00 0.00 C ATOM 1470 C THR A 95 -3.729 -3.152 -11.396 1.00 0.00 C ATOM 1471 O THR A 95 -4.864 -2.710 -11.574 1.00 0.00 O ATOM 1472 CB THR A 95 -3.368 -5.053 -9.821 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.122 -6.460 -9.710 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.637 -4.694 -9.064 1.00 0.00 C ATOM 0 H THR A 95 -1.707 -5.732 -11.586 1.00 0.00 H new ATOM 0 HA THR A 95 -4.321 -5.186 -11.752 1.00 0.00 H new ATOM 0 HB THR A 95 -2.535 -4.503 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.231 -6.607 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.532 -4.986 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.806 -3.619 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.484 -5.220 -9.504 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.660 -2.373 -11.275 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.761 -0.920 -11.348 1.00 0.00 C ATOM 1484 C ALA A 96 -3.170 -0.468 -12.745 1.00 0.00 C ATOM 1485 O ALA A 96 -4.012 0.416 -12.899 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.440 -0.279 -10.949 1.00 0.00 C ATOM 0 H ALA A 96 -1.714 -2.723 -11.126 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.534 -0.598 -10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.529 0.806 -11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.189 -0.567 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.654 -0.615 -11.625 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.568 -1.079 -13.760 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.870 -0.736 -15.145 1.00 0.00 C ATOM 1494 C GLU A 97 -4.329 -1.040 -15.475 1.00 0.00 C ATOM 1495 O GLU A 97 -5.012 -0.238 -16.110 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.950 -1.505 -16.096 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.554 -0.914 -16.203 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.472 0.208 -17.220 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.031 0.048 -18.325 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.151 1.245 -16.911 1.00 0.00 O ATOM 0 H GLU A 97 -1.869 -1.813 -13.650 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.702 0.333 -15.273 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.873 -2.538 -15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.403 -1.527 -17.087 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.247 -0.538 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.149 -1.700 -16.477 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.798 -2.204 -15.039 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.175 -2.614 -15.286 1.00 0.00 C ATOM 1509 C ALA A 98 -7.160 -1.601 -14.712 1.00 0.00 C ATOM 1510 O ALA A 98 -8.141 -1.239 -15.361 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.429 -3.993 -14.696 1.00 0.00 C ATOM 0 H ALA A 98 -4.245 -2.880 -14.513 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.327 -2.659 -16.364 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.461 -4.286 -14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.755 -4.715 -15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.253 -3.967 -13.621 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.893 -1.148 -13.491 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.766 -0.182 -12.851 1.00 0.00 C ATOM 1519 C GLY A 99 -8.958 -0.834 -12.179 1.00 0.00 C ATOM 1520 O GLY A 99 -10.076 -0.326 -12.254 1.00 0.00 O ATOM 0 H GLY A 99 -6.088 -1.433 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.198 0.381 -12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.118 0.533 -13.594 1.00 0.00 H new ATOM 1524 N GLY A 100 -8.720 -1.965 -11.521 1.00 0.00 N ATOM 1525 CA GLY A 100 -9.793 -2.670 -10.845 1.00 0.00 C ATOM 1526 C GLY A 100 -10.157 -3.970 -11.534 1.00 0.00 C ATOM 1527 O GLY A 100 -10.381 -3.998 -12.744 1.00 0.00 O ATOM 0 H GLY A 100 -7.803 -2.405 -11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.496 -2.878 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.673 -2.028 -10.799 1.00 0.00 H new ATOM 1531 N SER A 101 -10.214 -5.051 -10.762 1.00 0.00 N ATOM 1532 CA SER A 101 -10.548 -6.362 -11.306 1.00 0.00 C ATOM 1533 C SER A 101 -11.986 -6.389 -11.815 1.00 0.00 C ATOM 1534 O SER A 101 -12.923 -6.614 -11.050 1.00 0.00 O ATOM 1535 CB SER A 101 -10.350 -7.444 -10.243 1.00 0.00 C ATOM 1536 OG SER A 101 -10.891 -8.682 -10.669 1.00 0.00 O ATOM 0 H SER A 101 -10.033 -5.045 -9.758 1.00 0.00 H new ATOM 0 HA SER A 101 -9.881 -6.561 -12.145 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.287 -7.561 -10.033 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.827 -7.136 -9.313 1.00 0.00 H new ATOM 0 HG SER A 101 -10.750 -9.357 -9.973 1.00 0.00 H new ATOM 1542 N GLY A 102 -12.152 -6.158 -13.114 1.00 0.00 N ATOM 1543 CA GLY A 102 -13.478 -6.160 -13.704 1.00 0.00 C ATOM 1544 C GLY A 102 -14.077 -4.770 -13.788 1.00 0.00 C ATOM 1545 O GLY A 102 -13.366 -3.765 -13.821 1.00 0.00 O ATOM 0 H GLY A 102 -11.392 -5.970 -13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.427 -6.591 -14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.134 -6.800 -13.114 1.00 0.00 H new ATOM 1549 N PRO A 103 -15.416 -4.700 -13.825 1.00 0.00 N ATOM 1550 CA PRO A 103 -16.140 -3.429 -13.908 1.00 0.00 C ATOM 1551 C PRO A 103 -16.036 -2.618 -12.621 1.00 0.00 C ATOM 1552 O PRO A 103 -15.876 -3.176 -11.535 1.00 0.00 O ATOM 1553 CB PRO A 103 -17.588 -3.860 -14.153 1.00 0.00 C ATOM 1554 CG PRO A 103 -17.677 -5.232 -13.578 1.00 0.00 C ATOM 1555 CD PRO A 103 -16.326 -5.858 -13.790 1.00 0.00 C ATOM 0 HA PRO A 103 -15.737 -2.781 -14.686 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.290 -3.181 -13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.827 -3.860 -15.217 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.928 -5.195 -12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.457 -5.812 -14.071 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.071 -6.546 -12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.288 -6.427 -14.719 1.00 0.00 H new ATOM 1563 N SER A 104 -16.130 -1.298 -12.749 1.00 0.00 N ATOM 1564 CA SER A 104 -16.043 -0.410 -11.596 1.00 0.00 C ATOM 1565 C SER A 104 -17.101 -0.765 -10.555 1.00 0.00 C ATOM 1566 O SER A 104 -18.300 -0.652 -10.810 1.00 0.00 O ATOM 1567 CB SER A 104 -16.210 1.046 -12.033 1.00 0.00 C ATOM 1568 OG SER A 104 -17.443 1.239 -12.704 1.00 0.00 O ATOM 0 H SER A 104 -16.266 -0.820 -13.640 1.00 0.00 H new ATOM 0 HA SER A 104 -15.058 -0.536 -11.146 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.161 1.698 -11.161 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.387 1.329 -12.689 1.00 0.00 H new ATOM 0 HG SER A 104 -18.144 0.722 -12.255 1.00 0.00 H new ATOM 1574 N SER A 105 -16.647 -1.196 -9.383 1.00 0.00 N ATOM 1575 CA SER A 105 -17.554 -1.572 -8.304 1.00 0.00 C ATOM 1576 C SER A 105 -17.504 -0.551 -7.172 1.00 0.00 C ATOM 1577 O SER A 105 -16.613 -0.589 -6.324 1.00 0.00 O ATOM 1578 CB SER A 105 -17.196 -2.961 -7.770 1.00 0.00 C ATOM 1579 OG SER A 105 -17.522 -3.969 -8.711 1.00 0.00 O ATOM 0 H SER A 105 -15.657 -1.294 -9.156 1.00 0.00 H new ATOM 0 HA SER A 105 -18.567 -1.594 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.131 -3.003 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 105 -17.729 -3.144 -6.837 1.00 0.00 H new ATOM 0 HG SER A 105 -17.042 -3.802 -9.549 1.00 0.00 H new ATOM 1585 N GLY A 106 -18.470 0.363 -7.165 1.00 0.00 N ATOM 1586 CA GLY A 106 -18.519 1.383 -6.133 1.00 0.00 C ATOM 1587 C GLY A 106 -19.458 1.017 -5.001 1.00 0.00 C ATOM 1588 O GLY A 106 -19.629 -0.159 -4.683 1.00 0.00 O ATOM 0 H GLY A 106 -19.219 0.415 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -17.517 1.540 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.838 2.327 -6.574 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.275 -2.483 1.852 1.00 0.00 ZN