USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 758 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot -26:sc= 0.382 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0921 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.594 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 13 LYS NZ :NH3+ 155:sc= 0.54 (180deg=0.247) USER MOD Single : A 18 GLN : amide:sc= -0.587 K(o=-0.59,f=-1.9) USER MOD Single : A 30 CYS SG : rot 180:sc= -2.5! USER MOD Single : A 33 SER OG : rot -109:sc= 0.0326 USER MOD Single : A 37 THR OG1 : rot 53:sc= 0.213 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0134 (180deg=-0.188) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.0123 (180deg=-0.159) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= -0.173 (180deg=-0.788) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0302 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -149:sc= -0.935 (180deg=-1.6) USER MOD Single : A 64 MET CE :methyl 162:sc= -0.311 (180deg=-1.04) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 120:sc= 0.00845 USER MOD Single : A 80 CYS SG : rot 43:sc= -2.52 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -120:sc= -0.0508 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.203 F(o=-0.86,f=-0.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.708 40.732 1.539 1.00 0.00 N ATOM 2 CA GLY A 1 16.246 40.358 0.215 1.00 0.00 C ATOM 3 C GLY A 1 15.021 39.466 0.258 1.00 0.00 C ATOM 4 O GLY A 1 14.609 39.019 1.328 1.00 0.00 O ATOM 0 H1 GLY A 1 16.603 41.759 1.666 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.144 40.235 2.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.709 40.471 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.016 41.259 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.048 39.843 -0.314 1.00 0.00 H new ATOM 8 N SER A 2 14.437 39.208 -0.907 1.00 0.00 N ATOM 9 CA SER A 2 13.248 38.368 -0.997 1.00 0.00 C ATOM 10 C SER A 2 13.551 36.947 -0.532 1.00 0.00 C ATOM 11 O SER A 2 14.236 36.190 -1.220 1.00 0.00 O ATOM 12 CB SER A 2 12.721 38.346 -2.433 1.00 0.00 C ATOM 13 OG SER A 2 13.716 37.893 -3.335 1.00 0.00 O ATOM 0 H SER A 2 14.767 39.568 -1.802 1.00 0.00 H new ATOM 0 HA SER A 2 12.484 38.790 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.848 37.696 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.394 39.346 -2.719 1.00 0.00 H new ATOM 0 HG SER A 2 14.141 37.086 -2.975 1.00 0.00 H new ATOM 19 N SER A 3 13.034 36.592 0.640 1.00 0.00 N ATOM 20 CA SER A 3 13.252 35.264 1.200 1.00 0.00 C ATOM 21 C SER A 3 11.931 34.516 1.353 1.00 0.00 C ATOM 22 O SER A 3 11.149 34.793 2.261 1.00 0.00 O ATOM 23 CB SER A 3 13.952 35.367 2.557 1.00 0.00 C ATOM 24 OG SER A 3 14.568 34.140 2.908 1.00 0.00 O ATOM 0 H SER A 3 12.461 37.206 1.220 1.00 0.00 H new ATOM 0 HA SER A 3 13.889 34.707 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.702 36.157 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.228 35.646 3.323 1.00 0.00 H new ATOM 0 HG SER A 3 15.010 34.233 3.778 1.00 0.00 H new ATOM 30 N GLY A 4 11.690 33.564 0.456 1.00 0.00 N ATOM 31 CA GLY A 4 10.463 32.790 0.507 1.00 0.00 C ATOM 32 C GLY A 4 10.186 32.057 -0.790 1.00 0.00 C ATOM 33 O GLY A 4 9.374 32.501 -1.601 1.00 0.00 O ATOM 0 H GLY A 4 12.322 33.315 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.525 32.069 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.628 33.453 0.731 1.00 0.00 H new ATOM 37 N SER A 5 10.863 30.930 -0.987 1.00 0.00 N ATOM 38 CA SER A 5 10.690 30.136 -2.198 1.00 0.00 C ATOM 39 C SER A 5 9.489 29.204 -2.069 1.00 0.00 C ATOM 40 O SER A 5 9.445 28.349 -1.184 1.00 0.00 O ATOM 41 CB SER A 5 11.953 29.322 -2.485 1.00 0.00 C ATOM 42 OG SER A 5 13.053 30.170 -2.766 1.00 0.00 O ATOM 0 H SER A 5 11.536 30.546 -0.324 1.00 0.00 H new ATOM 0 HA SER A 5 10.511 30.819 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.186 28.691 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.777 28.657 -3.331 1.00 0.00 H new ATOM 0 HG SER A 5 13.848 29.626 -2.944 1.00 0.00 H new ATOM 48 N SER A 6 8.516 29.375 -2.958 1.00 0.00 N ATOM 49 CA SER A 6 7.312 28.553 -2.942 1.00 0.00 C ATOM 50 C SER A 6 7.606 27.149 -3.463 1.00 0.00 C ATOM 51 O SER A 6 8.599 26.927 -4.155 1.00 0.00 O ATOM 52 CB SER A 6 6.214 29.203 -3.787 1.00 0.00 C ATOM 53 OG SER A 6 5.523 30.195 -3.048 1.00 0.00 O ATOM 0 H SER A 6 8.538 30.076 -3.699 1.00 0.00 H new ATOM 0 HA SER A 6 6.969 28.475 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.653 29.649 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.511 28.441 -4.125 1.00 0.00 H new ATOM 0 HG SER A 6 4.828 30.597 -3.610 1.00 0.00 H new ATOM 59 N GLY A 7 6.734 26.204 -3.124 1.00 0.00 N ATOM 60 CA GLY A 7 6.917 24.834 -3.565 1.00 0.00 C ATOM 61 C GLY A 7 6.204 23.838 -2.672 1.00 0.00 C ATOM 62 O GLY A 7 6.778 23.297 -1.726 1.00 0.00 O ATOM 0 H GLY A 7 5.905 26.363 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.548 24.732 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.982 24.601 -3.586 1.00 0.00 H new ATOM 66 N PRO A 8 4.921 23.583 -2.969 1.00 0.00 N ATOM 67 CA PRO A 8 4.101 22.645 -2.197 1.00 0.00 C ATOM 68 C PRO A 8 4.535 21.197 -2.394 1.00 0.00 C ATOM 69 O PRO A 8 5.150 20.856 -3.404 1.00 0.00 O ATOM 70 CB PRO A 8 2.692 22.862 -2.757 1.00 0.00 C ATOM 71 CG PRO A 8 2.909 23.378 -4.137 1.00 0.00 C ATOM 72 CD PRO A 8 4.172 24.192 -4.082 1.00 0.00 C ATOM 0 HA PRO A 8 4.181 22.822 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.122 21.933 -2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.131 23.574 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.004 22.559 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.066 23.987 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.727 24.136 -5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.963 25.246 -3.897 1.00 0.00 H new ATOM 80 N ALA A 9 4.211 20.349 -1.423 1.00 0.00 N ATOM 81 CA ALA A 9 4.566 18.937 -1.492 1.00 0.00 C ATOM 82 C ALA A 9 3.325 18.067 -1.656 1.00 0.00 C ATOM 83 O ALA A 9 3.207 17.014 -1.030 1.00 0.00 O ATOM 84 CB ALA A 9 5.341 18.527 -0.248 1.00 0.00 C ATOM 0 H ALA A 9 3.703 20.616 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 9 5.199 18.788 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.600 17.470 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.253 19.120 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.726 18.697 0.636 1.00 0.00 H new ATOM 90 N ALA A 10 2.402 18.513 -2.502 1.00 0.00 N ATOM 91 CA ALA A 10 1.171 17.774 -2.749 1.00 0.00 C ATOM 92 C ALA A 10 1.439 16.524 -3.580 1.00 0.00 C ATOM 93 O ALA A 10 2.558 16.303 -4.043 1.00 0.00 O ATOM 94 CB ALA A 10 0.151 18.664 -3.444 1.00 0.00 C ATOM 0 H ALA A 10 2.484 19.383 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 10 0.766 17.459 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.764 18.099 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.071 19.524 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.556 19.008 -4.396 1.00 0.00 H new ATOM 100 N ILE A 11 0.405 15.709 -3.765 1.00 0.00 N ATOM 101 CA ILE A 11 0.530 14.482 -4.541 1.00 0.00 C ATOM 102 C ILE A 11 0.037 14.683 -5.970 1.00 0.00 C ATOM 103 O ILE A 11 -1.153 14.900 -6.203 1.00 0.00 O ATOM 104 CB ILE A 11 -0.257 13.326 -3.897 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.165 13.145 -2.437 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.044 12.039 -4.679 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.874 12.442 -1.591 1.00 0.00 C ATOM 0 H ILE A 11 -0.528 15.877 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 11 1.589 14.225 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.319 13.571 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.094 12.577 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.374 14.123 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.607 11.231 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.389 12.175 -5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.016 11.787 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.508 12.348 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.798 13.021 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.066 11.450 -2.000 1.00 0.00 H new ATOM 119 N ILE A 12 0.959 14.607 -6.925 1.00 0.00 N ATOM 120 CA ILE A 12 0.617 14.777 -8.331 1.00 0.00 C ATOM 121 C ILE A 12 0.179 13.456 -8.955 1.00 0.00 C ATOM 122 O ILE A 12 -0.722 13.421 -9.793 1.00 0.00 O ATOM 123 CB ILE A 12 1.803 15.342 -9.134 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.125 14.816 -8.572 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.781 16.864 -9.113 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.683 15.662 -7.448 1.00 0.00 C ATOM 0 H ILE A 12 1.948 14.429 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.210 15.486 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 12 1.712 15.011 -10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.978 13.798 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.858 14.766 -9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.626 17.248 -9.685 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.851 17.221 -9.556 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.851 17.215 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.621 15.230 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.863 16.675 -7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.968 15.692 -6.626 1.00 0.00 H new ATOM 138 N LYS A 13 0.822 12.370 -8.539 1.00 0.00 N ATOM 139 CA LYS A 13 0.498 11.045 -9.053 1.00 0.00 C ATOM 140 C LYS A 13 -0.233 10.217 -8.001 1.00 0.00 C ATOM 141 O LYS A 13 0.376 9.614 -7.117 1.00 0.00 O ATOM 142 CB LYS A 13 1.773 10.320 -9.492 1.00 0.00 C ATOM 143 CG LYS A 13 2.471 10.978 -10.669 1.00 0.00 C ATOM 144 CD LYS A 13 3.594 10.108 -11.208 1.00 0.00 C ATOM 145 CE LYS A 13 3.864 10.394 -12.678 1.00 0.00 C ATOM 146 NZ LYS A 13 4.370 11.778 -12.890 1.00 0.00 N ATOM 0 H LYS A 13 1.571 12.382 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.159 11.167 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.464 10.274 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.524 9.292 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.747 11.171 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.873 11.943 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.501 10.283 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.334 9.057 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.593 9.679 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.947 10.251 -13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.926 11.814 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.566 12.434 -12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.972 12.054 -12.088 1.00 0.00 H new ATOM 160 N PRO A 14 -1.570 10.184 -8.097 1.00 0.00 N ATOM 161 CA PRO A 14 -2.413 9.432 -7.163 1.00 0.00 C ATOM 162 C PRO A 14 -2.266 7.924 -7.335 1.00 0.00 C ATOM 163 O PRO A 14 -1.894 7.445 -8.407 1.00 0.00 O ATOM 164 CB PRO A 14 -3.832 9.876 -7.528 1.00 0.00 C ATOM 165 CG PRO A 14 -3.740 10.301 -8.953 1.00 0.00 C ATOM 166 CD PRO A 14 -2.363 10.879 -9.125 1.00 0.00 C ATOM 0 HA PRO A 14 -2.145 9.627 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.546 9.062 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.167 10.695 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.895 9.455 -9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.506 11.040 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.972 10.695 -10.126 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.359 11.958 -8.974 1.00 0.00 H new ATOM 174 N LEU A 15 -2.560 7.180 -6.275 1.00 0.00 N ATOM 175 CA LEU A 15 -2.461 5.725 -6.309 1.00 0.00 C ATOM 176 C LEU A 15 -3.471 5.134 -7.287 1.00 0.00 C ATOM 177 O LEU A 15 -4.259 5.858 -7.893 1.00 0.00 O ATOM 178 CB LEU A 15 -2.687 5.146 -4.911 1.00 0.00 C ATOM 179 CG LEU A 15 -1.937 5.833 -3.770 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.688 5.662 -2.459 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.523 5.283 -3.653 1.00 0.00 C ATOM 0 H LEU A 15 -2.869 7.560 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.459 5.461 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.754 5.184 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.402 4.094 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.873 6.898 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.139 6.157 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.680 6.105 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.784 4.601 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.004 5.784 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.564 4.212 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.014 5.459 -4.585 1.00 0.00 H new ATOM 193 N GLU A 16 -3.442 3.813 -7.433 1.00 0.00 N ATOM 194 CA GLU A 16 -4.357 3.124 -8.336 1.00 0.00 C ATOM 195 C GLU A 16 -4.820 1.800 -7.737 1.00 0.00 C ATOM 196 O GLU A 16 -4.081 1.149 -6.998 1.00 0.00 O ATOM 197 CB GLU A 16 -3.684 2.877 -9.688 1.00 0.00 C ATOM 198 CG GLU A 16 -3.350 4.153 -10.444 1.00 0.00 C ATOM 199 CD GLU A 16 -2.378 3.918 -11.583 1.00 0.00 C ATOM 200 OE1 GLU A 16 -2.784 3.309 -12.595 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.210 4.343 -11.463 1.00 0.00 O ATOM 0 H GLU A 16 -2.795 3.199 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.230 3.761 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.768 2.308 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.340 2.261 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.268 4.588 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.925 4.880 -9.752 1.00 0.00 H new ATOM 208 N ASP A 17 -6.047 1.408 -8.060 1.00 0.00 N ATOM 209 CA ASP A 17 -6.610 0.161 -7.554 1.00 0.00 C ATOM 210 C ASP A 17 -5.685 -1.014 -7.856 1.00 0.00 C ATOM 211 O ASP A 17 -5.075 -1.077 -8.923 1.00 0.00 O ATOM 212 CB ASP A 17 -7.988 -0.088 -8.169 1.00 0.00 C ATOM 213 CG ASP A 17 -8.958 1.044 -7.892 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.803 1.717 -6.851 1.00 0.00 O ATOM 215 OD2 ASP A 17 -9.872 1.257 -8.716 1.00 0.00 O ATOM 0 H ASP A 17 -6.671 1.936 -8.670 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.714 0.250 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.884 -0.218 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.397 -1.018 -7.774 1.00 0.00 H new ATOM 220 N GLN A 18 -5.586 -1.942 -6.909 1.00 0.00 N ATOM 221 CA GLN A 18 -4.735 -3.113 -7.074 1.00 0.00 C ATOM 222 C GLN A 18 -5.562 -4.395 -7.056 1.00 0.00 C ATOM 223 O GLN A 18 -6.564 -4.487 -6.348 1.00 0.00 O ATOM 224 CB GLN A 18 -3.676 -3.160 -5.970 1.00 0.00 C ATOM 225 CG GLN A 18 -2.773 -1.938 -5.942 1.00 0.00 C ATOM 226 CD GLN A 18 -1.868 -1.853 -7.156 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.810 -2.777 -7.967 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.156 -0.740 -7.287 1.00 0.00 N ATOM 0 H GLN A 18 -6.085 -1.905 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.239 -3.036 -8.041 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.173 -3.256 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.063 -4.052 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.387 -1.039 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.162 -1.963 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.235 0.001 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.530 -0.626 -8.084 1.00 0.00 H new ATOM 237 N TRP A 19 -5.135 -5.379 -7.838 1.00 0.00 N ATOM 238 CA TRP A 19 -5.837 -6.655 -7.912 1.00 0.00 C ATOM 239 C TRP A 19 -4.872 -7.819 -7.717 1.00 0.00 C ATOM 240 O TRP A 19 -4.175 -8.224 -8.648 1.00 0.00 O ATOM 241 CB TRP A 19 -6.553 -6.790 -9.257 1.00 0.00 C ATOM 242 CG TRP A 19 -7.861 -6.060 -9.310 1.00 0.00 C ATOM 243 CD1 TRP A 19 -9.072 -6.515 -8.872 1.00 0.00 C ATOM 244 CD2 TRP A 19 -8.088 -4.746 -9.833 1.00 0.00 C ATOM 245 NE1 TRP A 19 -10.038 -5.563 -9.091 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.461 -4.469 -9.678 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.266 -3.777 -10.414 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -10.026 -3.263 -10.085 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.830 -2.582 -10.818 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.198 -2.332 -10.651 1.00 0.00 C ATOM 0 H TRP A 19 -4.306 -5.318 -8.430 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.576 -6.682 -7.111 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.902 -6.413 -10.046 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.726 -7.846 -9.464 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.245 -7.481 -8.420 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -11.026 -5.656 -8.854 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.209 -3.959 -10.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.081 -3.069 -9.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.205 -1.827 -11.271 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.607 -1.387 -10.975 1.00 0.00 H new ATOM 261 N VAL A 20 -4.837 -8.355 -6.501 1.00 0.00 N ATOM 262 CA VAL A 20 -3.958 -9.475 -6.184 1.00 0.00 C ATOM 263 C VAL A 20 -4.733 -10.616 -5.536 1.00 0.00 C ATOM 264 O VAL A 20 -5.956 -10.557 -5.412 1.00 0.00 O ATOM 265 CB VAL A 20 -2.817 -9.044 -5.243 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.055 -7.866 -5.831 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.365 -8.702 -3.866 1.00 0.00 C ATOM 0 H VAL A 20 -5.407 -8.032 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.532 -9.819 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.122 -9.877 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.253 -7.576 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.630 -8.151 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.735 -7.025 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.546 -8.400 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.081 -7.885 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.861 -9.576 -3.444 1.00 0.00 H new ATOM 277 N ALA A 21 -4.013 -11.655 -5.125 1.00 0.00 N ATOM 278 CA ALA A 21 -4.633 -12.809 -4.487 1.00 0.00 C ATOM 279 C ALA A 21 -4.358 -12.821 -2.987 1.00 0.00 C ATOM 280 O ALA A 21 -3.441 -12.164 -2.494 1.00 0.00 O ATOM 281 CB ALA A 21 -4.135 -14.097 -5.127 1.00 0.00 C ATOM 0 H ALA A 21 -3.000 -11.721 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.711 -12.737 -4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.606 -14.951 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.388 -14.098 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.053 -14.166 -5.012 1.00 0.00 H new ATOM 287 N PRO A 22 -5.171 -13.584 -2.241 1.00 0.00 N ATOM 288 CA PRO A 22 -5.035 -13.699 -0.786 1.00 0.00 C ATOM 289 C PRO A 22 -3.782 -14.467 -0.380 1.00 0.00 C ATOM 290 O PRO A 22 -3.819 -15.683 -0.196 1.00 0.00 O ATOM 291 CB PRO A 22 -6.292 -14.470 -0.373 1.00 0.00 C ATOM 292 CG PRO A 22 -6.678 -15.244 -1.585 1.00 0.00 C ATOM 293 CD PRO A 22 -6.286 -14.394 -2.762 1.00 0.00 C ATOM 0 HA PRO A 22 -4.939 -12.725 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.092 -15.130 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.089 -13.793 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.168 -16.207 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.748 -15.450 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.978 -15.002 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.113 -13.769 -3.100 1.00 0.00 H new ATOM 301 N GLY A 23 -2.672 -13.748 -0.242 1.00 0.00 N ATOM 302 CA GLY A 23 -1.423 -14.379 0.142 1.00 0.00 C ATOM 303 C GLY A 23 -0.217 -13.702 -0.479 1.00 0.00 C ATOM 304 O GLY A 23 0.920 -13.964 -0.087 1.00 0.00 O ATOM 0 H GLY A 23 -2.616 -12.740 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.328 -14.359 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.442 -15.427 -0.157 1.00 0.00 H new ATOM 308 N GLU A 24 -0.465 -12.832 -1.453 1.00 0.00 N ATOM 309 CA GLU A 24 0.611 -12.118 -2.131 1.00 0.00 C ATOM 310 C GLU A 24 0.882 -10.776 -1.458 1.00 0.00 C ATOM 311 O GLU A 24 0.228 -10.416 -0.479 1.00 0.00 O ATOM 312 CB GLU A 24 0.260 -11.901 -3.604 1.00 0.00 C ATOM 313 CG GLU A 24 -0.239 -13.155 -4.302 1.00 0.00 C ATOM 314 CD GLU A 24 0.095 -13.171 -5.781 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.638 -12.529 -6.562 1.00 0.00 O ATOM 316 OE2 GLU A 24 1.090 -13.826 -6.158 1.00 0.00 O ATOM 0 H GLU A 24 -1.400 -12.605 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 24 1.513 -12.726 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.504 -11.127 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.141 -11.530 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.200 -14.031 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.319 -13.231 -4.176 1.00 0.00 H new ATOM 323 N ASP A 25 1.852 -10.040 -1.989 1.00 0.00 N ATOM 324 CA ASP A 25 2.211 -8.737 -1.441 1.00 0.00 C ATOM 325 C ASP A 25 1.717 -7.612 -2.346 1.00 0.00 C ATOM 326 O ASP A 25 1.616 -7.778 -3.562 1.00 0.00 O ATOM 327 CB ASP A 25 3.727 -8.635 -1.262 1.00 0.00 C ATOM 328 CG ASP A 25 4.484 -8.968 -2.533 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.488 -10.153 -2.926 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.072 -8.044 -3.132 1.00 0.00 O ATOM 0 H ASP A 25 2.404 -10.323 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 25 1.730 -8.635 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.985 -7.625 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.042 -9.311 -0.467 1.00 0.00 H new ATOM 335 N VAL A 26 1.408 -6.468 -1.744 1.00 0.00 N ATOM 336 CA VAL A 26 0.924 -5.315 -2.495 1.00 0.00 C ATOM 337 C VAL A 26 1.820 -4.102 -2.277 1.00 0.00 C ATOM 338 O VAL A 26 2.282 -3.851 -1.164 1.00 0.00 O ATOM 339 CB VAL A 26 -0.519 -4.952 -2.097 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.945 -3.652 -2.761 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.471 -6.082 -2.460 1.00 0.00 C ATOM 0 H VAL A 26 1.484 -6.315 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 26 0.944 -5.593 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.555 -4.809 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.967 -3.412 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.279 -2.848 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.895 -3.763 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.486 -5.809 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.434 -6.258 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.176 -6.990 -1.933 1.00 0.00 H new ATOM 351 N GLU A 27 2.061 -3.351 -3.347 1.00 0.00 N ATOM 352 CA GLU A 27 2.902 -2.162 -3.272 1.00 0.00 C ATOM 353 C GLU A 27 2.206 -0.961 -3.906 1.00 0.00 C ATOM 354 O GLU A 27 1.961 -0.937 -5.113 1.00 0.00 O ATOM 355 CB GLU A 27 4.242 -2.414 -3.967 1.00 0.00 C ATOM 356 CG GLU A 27 4.991 -3.620 -3.425 1.00 0.00 C ATOM 357 CD GLU A 27 6.112 -4.071 -4.342 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.909 -4.062 -5.575 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.191 -4.433 -3.828 1.00 0.00 O ATOM 0 H GLU A 27 1.686 -3.545 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 27 3.082 -1.942 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.068 -2.554 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.869 -1.529 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.403 -3.377 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.291 -4.443 -3.281 1.00 0.00 H new ATOM 366 N LEU A 28 1.889 0.033 -3.084 1.00 0.00 N ATOM 367 CA LEU A 28 1.221 1.238 -3.563 1.00 0.00 C ATOM 368 C LEU A 28 2.180 2.424 -3.578 1.00 0.00 C ATOM 369 O LEU A 28 2.351 3.109 -2.570 1.00 0.00 O ATOM 370 CB LEU A 28 0.011 1.557 -2.683 1.00 0.00 C ATOM 371 CG LEU A 28 -1.055 0.465 -2.586 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.835 0.595 -1.286 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.994 0.528 -3.782 1.00 0.00 C ATOM 0 H LEU A 28 2.084 0.028 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 28 0.883 1.055 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.367 1.780 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.460 2.464 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.557 -0.504 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.589 -0.190 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.153 0.499 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.323 1.569 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.746 -0.256 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.485 1.501 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.424 0.385 -4.700 1.00 0.00 H new ATOM 385 N ARG A 29 2.801 2.661 -4.729 1.00 0.00 N ATOM 386 CA ARG A 29 3.743 3.764 -4.876 1.00 0.00 C ATOM 387 C ARG A 29 3.015 5.053 -5.247 1.00 0.00 C ATOM 388 O ARG A 29 1.863 5.025 -5.681 1.00 0.00 O ATOM 389 CB ARG A 29 4.789 3.432 -5.941 1.00 0.00 C ATOM 390 CG ARG A 29 5.598 2.183 -5.631 1.00 0.00 C ATOM 391 CD ARG A 29 6.688 1.954 -6.667 1.00 0.00 C ATOM 392 NE ARG A 29 7.076 0.549 -6.751 1.00 0.00 N ATOM 393 CZ ARG A 29 6.363 -0.373 -7.390 1.00 0.00 C ATOM 394 NH1 ARG A 29 5.233 -0.039 -7.997 1.00 0.00 N ATOM 395 NH2 ARG A 29 6.782 -1.632 -7.423 1.00 0.00 N ATOM 0 H ARG A 29 2.669 2.104 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 29 4.244 3.911 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.289 3.302 -6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.468 4.278 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.048 2.275 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.936 1.318 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.338 2.292 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.560 2.557 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 29 7.941 0.259 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.908 0.928 -7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.688 -0.749 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.652 -1.892 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.234 -2.339 -7.914 1.00 0.00 H new ATOM 409 N CYS A 30 3.695 6.181 -5.073 1.00 0.00 N ATOM 410 CA CYS A 30 3.114 7.481 -5.388 1.00 0.00 C ATOM 411 C CYS A 30 4.202 8.501 -5.708 1.00 0.00 C ATOM 412 O CYS A 30 5.386 8.169 -5.738 1.00 0.00 O ATOM 413 CB CYS A 30 2.260 7.978 -4.221 1.00 0.00 C ATOM 414 SG CYS A 30 3.184 8.898 -2.969 1.00 0.00 S ATOM 0 H CYS A 30 4.649 6.221 -4.715 1.00 0.00 H new ATOM 0 HA CYS A 30 2.481 7.364 -6.268 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.466 8.614 -4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.779 7.123 -3.747 1.00 0.00 H new ATOM 0 HG CYS A 30 2.375 9.278 -2.025 1.00 0.00 H new ATOM 420 N GLU A 31 3.791 9.742 -5.947 1.00 0.00 N ATOM 421 CA GLU A 31 4.732 10.809 -6.267 1.00 0.00 C ATOM 422 C GLU A 31 4.385 12.086 -5.506 1.00 0.00 C ATOM 423 O GLU A 31 3.235 12.300 -5.121 1.00 0.00 O ATOM 424 CB GLU A 31 4.733 11.084 -7.772 1.00 0.00 C ATOM 425 CG GLU A 31 5.917 11.915 -8.238 1.00 0.00 C ATOM 426 CD GLU A 31 6.287 11.645 -9.683 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.762 10.528 -9.976 1.00 0.00 O ATOM 428 OE2 GLU A 31 6.100 12.551 -10.522 1.00 0.00 O ATOM 0 H GLU A 31 2.814 10.033 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 31 5.727 10.484 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.734 10.134 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.810 11.599 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.683 12.973 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.777 11.705 -7.601 1.00 0.00 H new ATOM 435 N LEU A 32 5.388 12.931 -5.293 1.00 0.00 N ATOM 436 CA LEU A 32 5.191 14.187 -4.578 1.00 0.00 C ATOM 437 C LEU A 32 5.958 15.322 -5.249 1.00 0.00 C ATOM 438 O LEU A 32 7.100 15.146 -5.675 1.00 0.00 O ATOM 439 CB LEU A 32 5.639 14.044 -3.122 1.00 0.00 C ATOM 440 CG LEU A 32 5.403 12.678 -2.479 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.377 12.452 -1.333 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.966 12.559 -1.991 1.00 0.00 C ATOM 0 H LEU A 32 6.345 12.769 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 32 4.128 14.427 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.704 14.270 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.122 14.797 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 32 5.575 11.909 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.194 11.474 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.399 12.493 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.237 13.226 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.816 11.580 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.767 13.336 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.285 12.676 -2.834 1.00 0.00 H new ATOM 454 N SER A 33 5.325 16.487 -5.338 1.00 0.00 N ATOM 455 CA SER A 33 5.947 17.650 -5.958 1.00 0.00 C ATOM 456 C SER A 33 7.212 18.055 -5.208 1.00 0.00 C ATOM 457 O SER A 33 8.070 18.755 -5.746 1.00 0.00 O ATOM 458 CB SER A 33 4.965 18.823 -5.994 1.00 0.00 C ATOM 459 OG SER A 33 5.611 20.017 -6.398 1.00 0.00 O ATOM 0 H SER A 33 4.381 16.650 -4.988 1.00 0.00 H new ATOM 0 HA SER A 33 6.220 17.383 -6.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.149 18.597 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.523 18.961 -5.007 1.00 0.00 H new ATOM 0 HG SER A 33 5.685 20.624 -5.632 1.00 0.00 H new ATOM 465 N ARG A 34 7.321 17.609 -3.960 1.00 0.00 N ATOM 466 CA ARG A 34 8.480 17.924 -3.134 1.00 0.00 C ATOM 467 C ARG A 34 8.915 16.709 -2.320 1.00 0.00 C ATOM 468 O ARG A 34 8.082 15.977 -1.786 1.00 0.00 O ATOM 469 CB ARG A 34 8.162 19.091 -2.197 1.00 0.00 C ATOM 470 CG ARG A 34 9.237 19.343 -1.152 1.00 0.00 C ATOM 471 CD ARG A 34 8.712 20.198 -0.009 1.00 0.00 C ATOM 472 NE ARG A 34 8.128 19.388 1.057 1.00 0.00 N ATOM 473 CZ ARG A 34 7.347 19.881 2.011 1.00 0.00 C ATOM 474 NH1 ARG A 34 7.058 21.175 2.032 1.00 0.00 N ATOM 475 NH2 ARG A 34 6.854 19.080 2.947 1.00 0.00 N ATOM 0 H ARG A 34 6.620 17.028 -3.499 1.00 0.00 H new ATOM 0 HA ARG A 34 9.299 18.209 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.025 19.995 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.216 18.894 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.596 18.391 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.089 19.838 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.525 20.800 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.962 20.891 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 34 8.331 18.389 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.436 21.794 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.458 21.552 2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.075 18.084 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.254 19.460 3.679 1.00 0.00 H new ATOM 489 N ALA A 35 10.224 16.501 -2.231 1.00 0.00 N ATOM 490 CA ALA A 35 10.769 15.376 -1.482 1.00 0.00 C ATOM 491 C ALA A 35 10.694 15.628 0.020 1.00 0.00 C ATOM 492 O ALA A 35 10.143 16.635 0.464 1.00 0.00 O ATOM 493 CB ALA A 35 12.207 15.108 -1.903 1.00 0.00 C ATOM 0 H ALA A 35 10.927 17.097 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 35 10.166 14.496 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.601 14.265 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.237 14.875 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.814 15.992 -1.708 1.00 0.00 H new ATOM 499 N GLY A 36 11.252 14.707 0.800 1.00 0.00 N ATOM 500 CA GLY A 36 11.237 14.848 2.244 1.00 0.00 C ATOM 501 C GLY A 36 9.864 15.206 2.777 1.00 0.00 C ATOM 502 O GLY A 36 9.734 16.045 3.669 1.00 0.00 O ATOM 0 H GLY A 36 11.715 13.865 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.569 13.915 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.950 15.618 2.538 1.00 0.00 H new ATOM 506 N THR A 37 8.833 14.570 2.228 1.00 0.00 N ATOM 507 CA THR A 37 7.463 14.828 2.651 1.00 0.00 C ATOM 508 C THR A 37 6.780 13.546 3.114 1.00 0.00 C ATOM 509 O THR A 37 6.685 12.564 2.378 1.00 0.00 O ATOM 510 CB THR A 37 6.633 15.457 1.515 1.00 0.00 C ATOM 511 OG1 THR A 37 7.264 16.656 1.054 1.00 0.00 O ATOM 512 CG2 THR A 37 5.220 15.769 1.986 1.00 0.00 C ATOM 0 H THR A 37 8.922 13.872 1.489 1.00 0.00 H new ATOM 0 HA THR A 37 7.516 15.529 3.484 1.00 0.00 H new ATOM 0 HB THR A 37 6.575 14.740 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.199 16.468 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.653 16.212 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.733 14.849 2.309 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.261 16.470 2.820 1.00 0.00 H new ATOM 520 N PRO A 38 6.292 13.553 4.363 1.00 0.00 N ATOM 521 CA PRO A 38 5.608 12.398 4.952 1.00 0.00 C ATOM 522 C PRO A 38 4.245 12.145 4.316 1.00 0.00 C ATOM 523 O PRO A 38 3.747 12.965 3.545 1.00 0.00 O ATOM 524 CB PRO A 38 5.447 12.793 6.422 1.00 0.00 C ATOM 525 CG PRO A 38 5.453 14.282 6.417 1.00 0.00 C ATOM 526 CD PRO A 38 6.370 14.689 5.297 1.00 0.00 C ATOM 0 HA PRO A 38 6.167 11.474 4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.518 12.402 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.260 12.396 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.449 14.676 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.805 14.674 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.044 15.618 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.389 14.850 5.650 1.00 0.00 H new ATOM 534 N VAL A 39 3.646 11.005 4.645 1.00 0.00 N ATOM 535 CA VAL A 39 2.340 10.644 4.107 1.00 0.00 C ATOM 536 C VAL A 39 1.473 9.976 5.168 1.00 0.00 C ATOM 537 O VAL A 39 1.983 9.327 6.083 1.00 0.00 O ATOM 538 CB VAL A 39 2.472 9.699 2.898 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.716 8.271 3.361 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.231 9.779 2.021 1.00 0.00 C ATOM 0 H VAL A 39 4.045 10.315 5.282 1.00 0.00 H new ATOM 0 HA VAL A 39 1.865 11.570 3.784 1.00 0.00 H new ATOM 0 HB VAL A 39 3.330 10.015 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.807 7.618 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.636 8.230 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.880 7.941 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.342 9.105 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.355 9.490 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.106 10.800 1.660 1.00 0.00 H new ATOM 550 N HIS A 40 0.160 10.139 5.041 1.00 0.00 N ATOM 551 CA HIS A 40 -0.778 9.550 5.990 1.00 0.00 C ATOM 552 C HIS A 40 -1.578 8.427 5.337 1.00 0.00 C ATOM 553 O HIS A 40 -2.468 8.677 4.524 1.00 0.00 O ATOM 554 CB HIS A 40 -1.728 10.620 6.531 1.00 0.00 C ATOM 555 CG HIS A 40 -2.187 10.359 7.932 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.406 11.364 8.852 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.471 9.199 8.570 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.803 10.833 9.994 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.851 9.521 9.850 1.00 0.00 N ATOM 0 H HIS A 40 -0.278 10.674 4.291 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.205 9.131 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.229 11.589 6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.598 10.685 5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.410 8.206 8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.047 11.379 10.893 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.126 8.855 10.572 1.00 0.00 H new ATOM 568 N TRP A 41 -1.254 7.190 5.696 1.00 0.00 N ATOM 569 CA TRP A 41 -1.942 6.029 5.144 1.00 0.00 C ATOM 570 C TRP A 41 -3.203 5.714 5.941 1.00 0.00 C ATOM 571 O TRP A 41 -3.134 5.167 7.042 1.00 0.00 O ATOM 572 CB TRP A 41 -1.011 4.815 5.138 1.00 0.00 C ATOM 573 CG TRP A 41 0.170 4.976 4.230 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.411 5.433 4.573 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.221 4.684 2.830 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.230 5.442 3.470 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.524 4.986 2.388 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.706 4.194 1.906 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.919 4.815 1.064 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.313 4.025 0.592 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.991 4.334 0.181 1.00 0.00 C ATOM 0 H TRP A 41 -0.519 6.965 6.367 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.231 6.262 4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.658 4.632 6.153 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.576 3.934 4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.705 5.742 5.565 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.205 5.740 3.458 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.712 3.952 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.923 5.054 0.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.022 3.649 -0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.269 4.190 -0.853 1.00 0.00 H new ATOM 592 N LEU A 42 -4.355 6.063 5.378 1.00 0.00 N ATOM 593 CA LEU A 42 -5.634 5.816 6.036 1.00 0.00 C ATOM 594 C LEU A 42 -6.384 4.675 5.358 1.00 0.00 C ATOM 595 O LEU A 42 -6.675 4.732 4.163 1.00 0.00 O ATOM 596 CB LEU A 42 -6.489 7.084 6.022 1.00 0.00 C ATOM 597 CG LEU A 42 -5.909 8.294 6.755 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.361 9.587 6.093 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.315 8.273 8.222 1.00 0.00 C ATOM 0 H LEU A 42 -4.430 6.518 4.468 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.435 5.531 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.669 7.365 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.459 6.849 6.461 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.822 8.242 6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.938 10.437 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.020 9.604 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.449 9.647 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.894 9.141 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.402 8.300 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.941 7.363 8.690 1.00 0.00 H new ATOM 611 N LYS A 43 -6.697 3.639 6.129 1.00 0.00 N ATOM 612 CA LYS A 43 -7.417 2.485 5.605 1.00 0.00 C ATOM 613 C LYS A 43 -8.856 2.466 6.110 1.00 0.00 C ATOM 614 O LYS A 43 -9.105 2.253 7.297 1.00 0.00 O ATOM 615 CB LYS A 43 -6.708 1.190 6.007 1.00 0.00 C ATOM 616 CG LYS A 43 -7.386 -0.064 5.482 1.00 0.00 C ATOM 617 CD LYS A 43 -6.897 -1.308 6.205 1.00 0.00 C ATOM 618 CE LYS A 43 -7.773 -2.512 5.898 1.00 0.00 C ATOM 619 NZ LYS A 43 -9.115 -2.397 6.533 1.00 0.00 N ATOM 0 H LYS A 43 -6.463 3.575 7.120 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.433 2.562 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.682 1.219 5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.656 1.137 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.465 0.027 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.192 -0.163 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.869 -1.520 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.890 -1.126 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.889 -2.611 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.281 -3.419 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.586 -3.324 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.007 -2.077 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.691 -1.710 6.006 1.00 0.00 H new ATOM 633 N ASP A 44 -9.800 2.689 5.202 1.00 0.00 N ATOM 634 CA ASP A 44 -11.215 2.696 5.556 1.00 0.00 C ATOM 635 C ASP A 44 -11.514 3.784 6.582 1.00 0.00 C ATOM 636 O ASP A 44 -12.207 3.545 7.571 1.00 0.00 O ATOM 637 CB ASP A 44 -11.631 1.331 6.106 1.00 0.00 C ATOM 638 CG ASP A 44 -13.123 1.090 5.988 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.880 1.632 6.821 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.535 0.360 5.062 1.00 0.00 O ATOM 0 H ASP A 44 -9.611 2.867 4.216 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.789 2.906 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.096 0.548 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.336 1.259 7.153 1.00 0.00 H new ATOM 645 N ARG A 45 -10.985 4.979 6.340 1.00 0.00 N ATOM 646 CA ARG A 45 -11.193 6.104 7.245 1.00 0.00 C ATOM 647 C ARG A 45 -10.515 5.854 8.589 1.00 0.00 C ATOM 648 O ARG A 45 -10.927 6.395 9.615 1.00 0.00 O ATOM 649 CB ARG A 45 -12.689 6.348 7.454 1.00 0.00 C ATOM 650 CG ARG A 45 -13.468 6.501 6.157 1.00 0.00 C ATOM 651 CD ARG A 45 -13.515 7.952 5.704 1.00 0.00 C ATOM 652 NE ARG A 45 -14.238 8.798 6.650 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.702 10.006 6.350 1.00 0.00 C ATOM 654 NH1 ARG A 45 -14.519 10.507 5.136 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.351 10.715 7.265 1.00 0.00 N ATOM 0 H ARG A 45 -10.410 5.193 5.526 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.747 6.989 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.108 5.519 8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.821 7.247 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.007 5.891 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.483 6.128 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.499 8.328 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.993 8.011 4.726 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.395 8.442 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.021 9.965 4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.876 11.435 4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.494 10.332 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.707 11.642 7.034 1.00 0.00 H new ATOM 669 N LYS A 46 -9.474 5.029 8.575 1.00 0.00 N ATOM 670 CA LYS A 46 -8.737 4.707 9.791 1.00 0.00 C ATOM 671 C LYS A 46 -7.300 5.211 9.707 1.00 0.00 C ATOM 672 O LYS A 46 -6.886 5.767 8.690 1.00 0.00 O ATOM 673 CB LYS A 46 -8.745 3.195 10.031 1.00 0.00 C ATOM 674 CG LYS A 46 -10.117 2.563 9.881 1.00 0.00 C ATOM 675 CD LYS A 46 -10.872 2.547 11.199 1.00 0.00 C ATOM 676 CE LYS A 46 -11.697 3.812 11.384 1.00 0.00 C ATOM 677 NZ LYS A 46 -11.902 4.135 12.823 1.00 0.00 N ATOM 0 H LYS A 46 -9.121 4.571 7.735 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.229 5.205 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.057 2.721 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.369 2.993 11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.693 3.114 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.010 1.544 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.526 1.676 11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.166 2.448 12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.197 4.647 10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.665 3.689 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.468 5.003 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.401 3.350 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.980 4.278 13.282 1.00 0.00 H new ATOM 691 N ALA A 47 -6.544 5.013 10.782 1.00 0.00 N ATOM 692 CA ALA A 47 -5.152 5.445 10.827 1.00 0.00 C ATOM 693 C ALA A 47 -4.206 4.249 10.814 1.00 0.00 C ATOM 694 O ALA A 47 -4.195 3.444 11.746 1.00 0.00 O ATOM 695 CB ALA A 47 -4.906 6.302 12.060 1.00 0.00 C ATOM 0 H ALA A 47 -6.872 4.556 11.633 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.953 6.042 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.863 6.618 12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.551 7.180 12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.128 5.723 12.956 1.00 0.00 H new ATOM 701 N ILE A 48 -3.414 4.139 9.753 1.00 0.00 N ATOM 702 CA ILE A 48 -2.464 3.042 9.619 1.00 0.00 C ATOM 703 C ILE A 48 -1.132 3.385 10.277 1.00 0.00 C ATOM 704 O ILE A 48 -0.624 4.497 10.132 1.00 0.00 O ATOM 705 CB ILE A 48 -2.217 2.687 8.141 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.543 2.393 7.436 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.277 1.496 8.031 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.382 2.006 5.983 1.00 0.00 C ATOM 0 H ILE A 48 -3.411 4.797 8.973 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.904 2.181 10.122 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.748 3.541 7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.055 1.588 7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.182 3.273 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.113 1.258 6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.324 1.740 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.720 0.636 8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.362 1.812 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.899 2.819 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.769 1.107 5.912 1.00 0.00 H new ATOM 720 N ARG A 49 -0.570 2.422 11.000 1.00 0.00 N ATOM 721 CA ARG A 49 0.704 2.621 11.681 1.00 0.00 C ATOM 722 C ARG A 49 1.773 1.691 11.116 1.00 0.00 C ATOM 723 O ARG A 49 1.568 0.481 11.014 1.00 0.00 O ATOM 724 CB ARG A 49 0.547 2.382 13.183 1.00 0.00 C ATOM 725 CG ARG A 49 -0.230 1.120 13.522 1.00 0.00 C ATOM 726 CD ARG A 49 -1.723 1.394 13.617 1.00 0.00 C ATOM 727 NE ARG A 49 -2.417 0.378 14.404 1.00 0.00 N ATOM 728 CZ ARG A 49 -2.636 -0.861 13.976 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.218 -1.234 12.774 1.00 0.00 N ATOM 730 NH2 ARG A 49 -3.275 -1.728 14.750 1.00 0.00 N ATOM 0 H ARG A 49 -0.977 1.496 11.129 1.00 0.00 H new ATOM 0 HA ARG A 49 1.019 3.651 11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.536 2.323 13.638 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.042 3.240 13.628 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.046 0.362 12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.128 0.714 14.468 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.884 2.374 14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.149 1.430 12.615 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.752 0.633 15.333 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.727 -0.569 12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.387 -2.185 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.599 -1.444 15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.443 -2.679 14.421 1.00 0.00 H new ATOM 744 N LYS A 50 2.915 2.264 10.750 1.00 0.00 N ATOM 745 CA LYS A 50 4.018 1.487 10.196 1.00 0.00 C ATOM 746 C LYS A 50 4.276 0.237 11.030 1.00 0.00 C ATOM 747 O LYS A 50 4.285 0.291 12.260 1.00 0.00 O ATOM 748 CB LYS A 50 5.286 2.340 10.130 1.00 0.00 C ATOM 749 CG LYS A 50 6.494 1.594 9.589 1.00 0.00 C ATOM 750 CD LYS A 50 7.642 2.540 9.280 1.00 0.00 C ATOM 751 CE LYS A 50 8.460 2.849 10.524 1.00 0.00 C ATOM 752 NZ LYS A 50 9.286 1.685 10.949 1.00 0.00 N ATOM 0 H LYS A 50 3.101 3.264 10.827 1.00 0.00 H new ATOM 0 HA LYS A 50 3.742 1.178 9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.096 3.210 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.516 2.712 11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.820 0.851 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.214 1.053 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.286 2.096 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.249 3.467 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.109 3.703 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.792 3.136 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.029 2.006 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.682 0.987 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.725 1.248 10.114 1.00 0.00 H new ATOM 766 N SER A 51 4.486 -0.888 10.353 1.00 0.00 N ATOM 767 CA SER A 51 4.742 -2.152 11.033 1.00 0.00 C ATOM 768 C SER A 51 5.102 -3.245 10.030 1.00 0.00 C ATOM 769 O SER A 51 4.819 -3.125 8.838 1.00 0.00 O ATOM 770 CB SER A 51 3.518 -2.575 11.847 1.00 0.00 C ATOM 771 OG SER A 51 3.875 -3.495 12.864 1.00 0.00 O ATOM 0 H SER A 51 4.484 -0.949 9.335 1.00 0.00 H new ATOM 0 HA SER A 51 5.586 -2.009 11.708 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.053 -1.696 12.294 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.777 -3.027 11.187 1.00 0.00 H new ATOM 0 HG SER A 51 3.076 -3.749 13.371 1.00 0.00 H new ATOM 777 N GLN A 52 5.728 -4.308 10.523 1.00 0.00 N ATOM 778 CA GLN A 52 6.128 -5.422 9.671 1.00 0.00 C ATOM 779 C GLN A 52 5.099 -5.662 8.571 1.00 0.00 C ATOM 780 O GLN A 52 5.453 -5.905 7.417 1.00 0.00 O ATOM 781 CB GLN A 52 6.307 -6.691 10.505 1.00 0.00 C ATOM 782 CG GLN A 52 5.027 -7.166 11.173 1.00 0.00 C ATOM 783 CD GLN A 52 5.288 -8.087 12.348 1.00 0.00 C ATOM 784 OE1 GLN A 52 5.830 -9.180 12.186 1.00 0.00 O ATOM 785 NE2 GLN A 52 4.904 -7.648 13.541 1.00 0.00 N ATOM 0 H GLN A 52 5.969 -4.422 11.507 1.00 0.00 H new ATOM 0 HA GLN A 52 7.079 -5.167 9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.689 -7.486 9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.061 -6.509 11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.457 -6.301 11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.410 -7.685 10.440 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.458 -6.735 13.629 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.055 -8.224 14.369 1.00 0.00 H new ATOM 794 N LYS A 53 3.824 -5.594 8.936 1.00 0.00 N ATOM 795 CA LYS A 53 2.742 -5.803 7.981 1.00 0.00 C ATOM 796 C LYS A 53 2.663 -4.649 6.987 1.00 0.00 C ATOM 797 O LYS A 53 2.655 -4.861 5.774 1.00 0.00 O ATOM 798 CB LYS A 53 1.407 -5.950 8.715 1.00 0.00 C ATOM 799 CG LYS A 53 0.197 -5.840 7.805 1.00 0.00 C ATOM 800 CD LYS A 53 0.156 -6.972 6.791 1.00 0.00 C ATOM 801 CE LYS A 53 -0.603 -8.175 7.329 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.027 -7.849 7.618 1.00 0.00 N ATOM 0 H LYS A 53 3.514 -5.396 9.887 1.00 0.00 H new ATOM 0 HA LYS A 53 2.950 -6.720 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.384 -6.916 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.341 -5.184 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.713 -5.855 8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.219 -4.883 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.317 -6.623 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.173 -7.268 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.556 -8.988 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.120 -8.532 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.607 -8.707 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.110 -7.486 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.360 -7.126 6.949 1.00 0.00 H new ATOM 816 N TYR A 54 2.605 -3.429 7.508 1.00 0.00 N ATOM 817 CA TYR A 54 2.526 -2.241 6.666 1.00 0.00 C ATOM 818 C TYR A 54 3.851 -1.485 6.664 1.00 0.00 C ATOM 819 O TYR A 54 4.055 -0.566 7.458 1.00 0.00 O ATOM 820 CB TYR A 54 1.402 -1.322 7.148 1.00 0.00 C ATOM 821 CG TYR A 54 0.035 -1.969 7.116 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.500 -2.450 5.927 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.720 -2.100 8.275 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.748 -3.040 5.894 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.969 -2.690 8.251 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.478 -3.158 7.058 1.00 0.00 C ATOM 827 OH TYR A 54 -3.722 -3.747 7.029 1.00 0.00 O ATOM 0 H TYR A 54 2.611 -3.236 8.510 1.00 0.00 H new ATOM 0 HA TYR A 54 2.311 -2.563 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.619 -1.000 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.385 -0.426 6.527 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.070 -2.361 5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.324 -1.734 9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.150 -3.407 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.543 -2.784 9.161 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.102 -3.753 7.932 1.00 0.00 H new ATOM 837 N ASP A 55 4.747 -1.878 5.766 1.00 0.00 N ATOM 838 CA ASP A 55 6.053 -1.237 5.658 1.00 0.00 C ATOM 839 C ASP A 55 5.939 0.114 4.960 1.00 0.00 C ATOM 840 O ASP A 55 5.747 0.183 3.746 1.00 0.00 O ATOM 841 CB ASP A 55 7.026 -2.139 4.896 1.00 0.00 C ATOM 842 CG ASP A 55 7.077 -3.544 5.462 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.006 -4.172 5.589 1.00 0.00 O ATOM 844 OD2 ASP A 55 8.190 -4.015 5.780 1.00 0.00 O ATOM 0 H ASP A 55 4.593 -2.637 5.102 1.00 0.00 H new ATOM 0 HA ASP A 55 6.435 -1.074 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.731 -2.183 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.024 -1.701 4.928 1.00 0.00 H new ATOM 849 N VAL A 56 6.058 1.187 5.735 1.00 0.00 N ATOM 850 CA VAL A 56 5.968 2.537 5.192 1.00 0.00 C ATOM 851 C VAL A 56 7.331 3.032 4.722 1.00 0.00 C ATOM 852 O VAL A 56 8.204 3.342 5.532 1.00 0.00 O ATOM 853 CB VAL A 56 5.406 3.525 6.231 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.319 4.926 5.645 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.044 3.060 6.726 1.00 0.00 C ATOM 0 H VAL A 56 6.217 1.147 6.742 1.00 0.00 H new ATOM 0 HA VAL A 56 5.288 2.491 4.342 1.00 0.00 H new ATOM 0 HB VAL A 56 6.086 3.555 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.920 5.610 6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.313 5.257 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.662 4.917 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.662 3.770 7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.353 2.999 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.141 2.078 7.188 1.00 0.00 H new ATOM 865 N VAL A 57 7.507 3.105 3.406 1.00 0.00 N ATOM 866 CA VAL A 57 8.764 3.564 2.827 1.00 0.00 C ATOM 867 C VAL A 57 8.550 4.795 1.954 1.00 0.00 C ATOM 868 O VAL A 57 7.442 5.045 1.478 1.00 0.00 O ATOM 869 CB VAL A 57 9.430 2.460 1.985 1.00 0.00 C ATOM 870 CG1 VAL A 57 8.379 1.538 1.386 1.00 0.00 C ATOM 871 CG2 VAL A 57 10.298 3.072 0.895 1.00 0.00 C ATOM 0 H VAL A 57 6.795 2.852 2.721 1.00 0.00 H new ATOM 0 HA VAL A 57 9.420 3.822 3.658 1.00 0.00 H new ATOM 0 HB VAL A 57 10.070 1.866 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.868 0.764 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.804 1.073 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.711 2.115 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.761 2.278 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.681 3.691 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.074 3.687 1.350 1.00 0.00 H new ATOM 881 N CYS A 58 9.616 5.559 1.747 1.00 0.00 N ATOM 882 CA CYS A 58 9.545 6.766 0.930 1.00 0.00 C ATOM 883 C CYS A 58 10.938 7.332 0.674 1.00 0.00 C ATOM 884 O CYS A 58 11.595 7.827 1.589 1.00 0.00 O ATOM 885 CB CYS A 58 8.671 7.819 1.613 1.00 0.00 C ATOM 886 SG CYS A 58 8.445 9.330 0.647 1.00 0.00 S ATOM 0 H CYS A 58 10.540 5.365 2.133 1.00 0.00 H new ATOM 0 HA CYS A 58 9.099 6.500 -0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.693 7.384 1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.116 8.078 2.574 1.00 0.00 H new ATOM 0 HG CYS A 58 7.690 10.158 1.307 1.00 0.00 H new ATOM 892 N GLU A 59 11.382 7.254 -0.576 1.00 0.00 N ATOM 893 CA GLU A 59 12.699 7.756 -0.951 1.00 0.00 C ATOM 894 C GLU A 59 12.577 8.991 -1.840 1.00 0.00 C ATOM 895 O GLU A 59 12.207 8.893 -3.009 1.00 0.00 O ATOM 896 CB GLU A 59 13.497 6.670 -1.675 1.00 0.00 C ATOM 897 CG GLU A 59 13.723 5.422 -0.839 1.00 0.00 C ATOM 898 CD GLU A 59 12.587 4.425 -0.960 1.00 0.00 C ATOM 899 OE1 GLU A 59 11.546 4.779 -1.552 1.00 0.00 O ATOM 900 OE2 GLU A 59 12.739 3.290 -0.461 1.00 0.00 O ATOM 0 H GLU A 59 10.850 6.848 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 59 13.226 8.036 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.972 6.394 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.463 7.078 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.654 4.946 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.842 5.706 0.207 1.00 0.00 H new ATOM 907 N GLY A 60 12.891 10.153 -1.275 1.00 0.00 N ATOM 908 CA GLY A 60 12.810 11.390 -2.029 1.00 0.00 C ATOM 909 C GLY A 60 11.379 11.815 -2.294 1.00 0.00 C ATOM 910 O GLY A 60 10.695 12.311 -1.398 1.00 0.00 O ATOM 0 H GLY A 60 13.200 10.259 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.325 12.180 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.331 11.268 -2.978 1.00 0.00 H new ATOM 914 N THR A 61 10.925 11.623 -3.528 1.00 0.00 N ATOM 915 CA THR A 61 9.568 11.992 -3.909 1.00 0.00 C ATOM 916 C THR A 61 8.775 10.775 -4.371 1.00 0.00 C ATOM 917 O THR A 61 8.051 10.834 -5.364 1.00 0.00 O ATOM 918 CB THR A 61 9.566 13.047 -5.031 1.00 0.00 C ATOM 919 OG1 THR A 61 10.251 12.540 -6.182 1.00 0.00 O ATOM 920 CG2 THR A 61 10.232 14.333 -4.565 1.00 0.00 C ATOM 0 H THR A 61 11.478 11.214 -4.281 1.00 0.00 H new ATOM 0 HA THR A 61 9.096 12.414 -3.022 1.00 0.00 H new ATOM 0 HB THR A 61 8.531 13.266 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.244 13.216 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.219 15.063 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.692 14.732 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.263 14.126 -4.280 1.00 0.00 H new ATOM 928 N MET A 62 8.918 9.671 -3.645 1.00 0.00 N ATOM 929 CA MET A 62 8.214 8.439 -3.980 1.00 0.00 C ATOM 930 C MET A 62 7.881 7.643 -2.722 1.00 0.00 C ATOM 931 O MET A 62 8.755 7.017 -2.124 1.00 0.00 O ATOM 932 CB MET A 62 9.057 7.586 -4.930 1.00 0.00 C ATOM 933 CG MET A 62 8.441 6.231 -5.239 1.00 0.00 C ATOM 934 SD MET A 62 9.678 4.978 -5.625 1.00 0.00 S ATOM 935 CE MET A 62 10.099 4.400 -3.983 1.00 0.00 C ATOM 0 H MET A 62 9.515 9.605 -2.821 1.00 0.00 H new ATOM 0 HA MET A 62 7.281 8.707 -4.476 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.202 8.131 -5.863 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.044 7.436 -4.492 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.850 5.901 -4.384 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.756 6.331 -6.081 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.141 4.080 -3.966 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.955 5.208 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.457 3.560 -3.717 1.00 0.00 H new ATOM 945 N ALA A 63 6.612 7.672 -2.327 1.00 0.00 N ATOM 946 CA ALA A 63 6.165 6.952 -1.142 1.00 0.00 C ATOM 947 C ALA A 63 5.527 5.619 -1.517 1.00 0.00 C ATOM 948 O ALA A 63 4.753 5.537 -2.470 1.00 0.00 O ATOM 949 CB ALA A 63 5.186 7.802 -0.346 1.00 0.00 C ATOM 0 H ALA A 63 5.876 8.187 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 63 7.038 6.746 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.860 7.252 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.674 8.726 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.321 8.038 -0.966 1.00 0.00 H new ATOM 955 N MET A 64 5.858 4.576 -0.763 1.00 0.00 N ATOM 956 CA MET A 64 5.316 3.246 -1.017 1.00 0.00 C ATOM 957 C MET A 64 4.872 2.582 0.282 1.00 0.00 C ATOM 958 O MET A 64 5.460 2.811 1.340 1.00 0.00 O ATOM 959 CB MET A 64 6.358 2.374 -1.720 1.00 0.00 C ATOM 960 CG MET A 64 5.779 1.107 -2.329 1.00 0.00 C ATOM 961 SD MET A 64 7.011 0.138 -3.220 1.00 0.00 S ATOM 962 CE MET A 64 8.310 0.030 -1.991 1.00 0.00 C ATOM 0 H MET A 64 6.499 4.626 0.029 1.00 0.00 H new ATOM 0 HA MET A 64 4.446 3.353 -1.664 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.839 2.958 -2.505 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.134 2.102 -1.005 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.343 0.495 -1.539 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.970 1.373 -3.009 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.989 -0.783 -2.249 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.863 0.969 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.870 -0.162 -1.012 1.00 0.00 H new ATOM 972 N LEU A 65 3.833 1.760 0.196 1.00 0.00 N ATOM 973 CA LEU A 65 3.310 1.062 1.366 1.00 0.00 C ATOM 974 C LEU A 65 3.112 -0.421 1.072 1.00 0.00 C ATOM 975 O LEU A 65 2.193 -0.805 0.348 1.00 0.00 O ATOM 976 CB LEU A 65 1.985 1.687 1.807 1.00 0.00 C ATOM 977 CG LEU A 65 1.244 0.965 2.932 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.866 1.295 4.280 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.233 1.332 2.920 1.00 0.00 C ATOM 0 H LEU A 65 3.335 1.560 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 65 4.037 1.160 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.178 2.712 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.326 1.741 0.941 1.00 0.00 H new ATOM 0 HG LEU A 65 1.332 -0.109 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.325 0.772 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.910 0.980 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.810 2.370 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.745 0.809 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.342 2.408 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.672 1.043 1.965 1.00 0.00 H new ATOM 991 N VAL A 66 3.980 -1.253 1.639 1.00 0.00 N ATOM 992 CA VAL A 66 3.899 -2.695 1.441 1.00 0.00 C ATOM 993 C VAL A 66 2.863 -3.320 2.368 1.00 0.00 C ATOM 994 O VAL A 66 2.679 -2.872 3.501 1.00 0.00 O ATOM 995 CB VAL A 66 5.262 -3.372 1.681 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.242 -4.807 1.176 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.375 -2.578 1.015 1.00 0.00 C ATOM 0 H VAL A 66 4.748 -0.953 2.240 1.00 0.00 H new ATOM 0 HA VAL A 66 3.599 -2.856 0.405 1.00 0.00 H new ATOM 0 HB VAL A 66 5.454 -3.393 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.213 -5.269 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.471 -5.368 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.028 -4.814 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.331 -3.070 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.191 -2.523 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.402 -1.571 1.430 1.00 0.00 H new ATOM 1007 N ILE A 67 2.190 -4.356 1.881 1.00 0.00 N ATOM 1008 CA ILE A 67 1.173 -5.044 2.667 1.00 0.00 C ATOM 1009 C ILE A 67 1.418 -6.549 2.688 1.00 0.00 C ATOM 1010 O ILE A 67 0.735 -7.309 2.001 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.241 -4.773 2.119 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.535 -3.272 2.125 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.279 -5.525 2.938 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.489 -2.838 1.035 1.00 0.00 C ATOM 0 H ILE A 67 2.330 -4.738 0.946 1.00 0.00 H new ATOM 0 HA ILE A 67 1.242 -4.653 3.682 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.291 -5.129 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.953 -2.996 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.402 -2.726 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.273 -5.324 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.077 -6.595 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.231 -5.196 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.651 -1.762 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.064 -3.082 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.440 -3.356 1.156 1.00 0.00 H new ATOM 1026 N ARG A 68 2.397 -6.972 3.481 1.00 0.00 N ATOM 1027 CA ARG A 68 2.732 -8.387 3.592 1.00 0.00 C ATOM 1028 C ARG A 68 1.473 -9.233 3.757 1.00 0.00 C ATOM 1029 O ARG A 68 0.584 -8.896 4.538 1.00 0.00 O ATOM 1030 CB ARG A 68 3.674 -8.618 4.776 1.00 0.00 C ATOM 1031 CG ARG A 68 5.146 -8.507 4.413 1.00 0.00 C ATOM 1032 CD ARG A 68 5.491 -7.114 3.910 1.00 0.00 C ATOM 1033 NE ARG A 68 6.931 -6.867 3.928 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.758 -7.272 2.971 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.291 -7.939 1.925 1.00 0.00 N ATOM 1036 NH2 ARG A 68 9.056 -7.009 3.060 1.00 0.00 N ATOM 0 H ARG A 68 2.972 -6.356 4.056 1.00 0.00 H new ATOM 0 HA ARG A 68 3.233 -8.689 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.446 -7.894 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.485 -9.607 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.756 -8.742 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.390 -9.243 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.115 -6.992 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.988 -6.370 4.528 1.00 0.00 H new ATOM 0 HE ARG A 68 7.323 -6.356 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.294 -8.142 1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.929 -8.249 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.418 -6.496 3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.691 -7.320 2.325 1.00 0.00 H new ATOM 1050 N GLY A 69 1.404 -10.334 3.015 1.00 0.00 N ATOM 1051 CA GLY A 69 0.250 -11.211 3.094 1.00 0.00 C ATOM 1052 C GLY A 69 -1.060 -10.448 3.074 1.00 0.00 C ATOM 1053 O GLY A 69 -1.654 -10.195 4.122 1.00 0.00 O ATOM 0 H GLY A 69 2.126 -10.634 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.272 -11.911 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.309 -11.802 4.008 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.510 -10.080 1.879 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.758 -9.342 1.728 1.00 0.00 C ATOM 1059 C ALA A 70 -3.935 -10.289 1.519 1.00 0.00 C ATOM 1060 O ALA A 70 -4.150 -10.793 0.417 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.655 -8.362 0.569 1.00 0.00 C ATOM 0 H ALA A 70 -1.029 -10.281 1.002 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.934 -8.784 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.594 -7.818 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.846 -7.657 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.451 -8.908 -0.352 1.00 0.00 H new ATOM 1067 N SER A 71 -4.692 -10.529 2.584 1.00 0.00 N ATOM 1068 CA SER A 71 -5.845 -11.420 2.518 1.00 0.00 C ATOM 1069 C SER A 71 -7.098 -10.657 2.099 1.00 0.00 C ATOM 1070 O SER A 71 -7.080 -9.432 1.973 1.00 0.00 O ATOM 1071 CB SER A 71 -6.073 -12.094 3.873 1.00 0.00 C ATOM 1072 OG SER A 71 -5.099 -13.093 4.116 1.00 0.00 O ATOM 0 H SER A 71 -4.528 -10.119 3.503 1.00 0.00 H new ATOM 0 HA SER A 71 -5.640 -12.185 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.037 -11.346 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.068 -12.538 3.899 1.00 0.00 H new ATOM 0 HG SER A 71 -5.266 -13.507 4.988 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.184 -11.391 1.884 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.448 -10.785 1.478 1.00 0.00 C ATOM 1080 C LEU A 72 -9.814 -9.623 2.395 1.00 0.00 C ATOM 1081 O LEU A 72 -10.377 -8.622 1.951 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.564 -11.831 1.491 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.272 -13.134 0.747 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.348 -14.169 1.039 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.165 -12.881 -0.750 1.00 0.00 C ATOM 0 H LEU A 72 -8.215 -12.406 1.984 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.330 -10.401 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.796 -12.073 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.459 -11.383 1.060 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.317 -13.524 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.123 -15.090 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.376 -14.372 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.317 -13.788 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.957 -13.820 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.104 -12.467 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.357 -12.175 -0.943 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.488 -9.761 3.675 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.778 -8.721 4.656 1.00 0.00 C ATOM 1099 C LYS A 73 -8.892 -7.500 4.432 1.00 0.00 C ATOM 1100 O LYS A 73 -9.357 -6.362 4.507 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.576 -9.258 6.074 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.263 -8.426 7.143 1.00 0.00 C ATOM 1103 CD LYS A 73 -9.770 -8.787 8.534 1.00 0.00 C ATOM 1104 CE LYS A 73 -9.853 -7.600 9.481 1.00 0.00 C ATOM 1105 NZ LYS A 73 -9.516 -7.982 10.880 1.00 0.00 N ATOM 0 H LYS A 73 -9.022 -10.584 4.058 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.819 -8.420 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.952 -10.280 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.508 -9.300 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.081 -7.368 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.341 -8.579 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.364 -9.611 8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.739 -9.136 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.172 -6.818 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.859 -7.181 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.584 -7.146 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.181 -8.710 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.547 -8.358 10.913 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.616 -7.743 4.156 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.666 -6.662 3.918 1.00 0.00 C ATOM 1121 C ASP A 74 -7.242 -5.635 2.949 1.00 0.00 C ATOM 1122 O ASP A 74 -7.061 -4.431 3.126 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.353 -7.221 3.368 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.521 -7.904 4.436 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.077 -8.743 5.175 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.314 -7.599 4.532 1.00 0.00 O ATOM 0 H ASP A 74 -7.215 -8.679 4.091 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.471 -6.167 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.570 -7.932 2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.775 -6.411 2.924 1.00 0.00 H new ATOM 1131 N ALA A 75 -7.935 -6.120 1.924 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.538 -5.244 0.927 1.00 0.00 C ATOM 1133 C ALA A 75 -9.260 -4.075 1.588 1.00 0.00 C ATOM 1134 O ALA A 75 -10.025 -4.260 2.533 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.499 -6.030 0.046 1.00 0.00 C ATOM 0 H ALA A 75 -8.093 -7.115 1.762 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.740 -4.839 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.942 -5.364 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.957 -6.828 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.287 -6.463 0.663 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.010 -2.870 1.085 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.643 -1.688 1.640 1.00 0.00 C ATOM 1143 C GLY A 76 -9.283 -0.426 0.881 1.00 0.00 C ATOM 1144 O GLY A 76 -8.609 -0.485 -0.147 1.00 0.00 O ATOM 0 H GLY A 76 -8.380 -2.691 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.725 -1.819 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.347 -1.577 2.683 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.736 0.717 1.387 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.459 1.997 0.746 1.00 0.00 C ATOM 1150 C GLU A 77 -8.289 2.703 1.425 1.00 0.00 C ATOM 1151 O GLU A 77 -8.361 3.057 2.602 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.700 2.891 0.786 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.801 3.846 -0.391 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.893 4.883 -0.210 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.002 5.441 0.902 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.638 5.136 -1.180 1.00 0.00 O ATOM 0 H GLU A 77 -10.295 0.783 2.237 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.192 1.804 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.590 2.262 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.692 3.467 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.845 4.351 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.993 3.277 -1.300 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.211 2.903 0.674 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.023 3.563 1.203 1.00 0.00 C ATOM 1165 C TYR A 78 -5.968 5.022 0.759 1.00 0.00 C ATOM 1166 O TYR A 78 -5.826 5.318 -0.428 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.761 2.831 0.745 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.676 1.404 1.239 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.094 1.106 2.465 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.177 0.354 0.479 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.014 -0.196 2.920 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.102 -0.951 0.926 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.520 -1.221 2.147 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.442 -2.519 2.596 1.00 0.00 O ATOM 0 H TYR A 78 -7.136 2.618 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.076 3.535 2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.725 2.832 -0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.886 3.380 1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.697 1.906 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.633 0.562 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.558 -0.410 3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.497 -1.755 0.323 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.345 -2.891 2.681 1.00 0.00 H new ATOM 1184 N THR A 79 -6.081 5.931 1.722 1.00 0.00 N ATOM 1185 CA THR A 79 -6.044 7.359 1.433 1.00 0.00 C ATOM 1186 C THR A 79 -4.738 7.984 1.912 1.00 0.00 C ATOM 1187 O THR A 79 -4.529 8.162 3.112 1.00 0.00 O ATOM 1188 CB THR A 79 -7.225 8.097 2.092 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.459 7.663 1.510 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.082 9.602 1.927 1.00 0.00 C ATOM 0 H THR A 79 -6.199 5.703 2.709 1.00 0.00 H new ATOM 0 HA THR A 79 -6.118 7.464 0.351 1.00 0.00 H new ATOM 0 HB THR A 79 -7.224 7.863 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.205 8.135 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.927 10.102 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.156 9.933 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.061 9.851 0.866 1.00 0.00 H new ATOM 1198 N CYS A 80 -3.865 8.315 0.967 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.579 8.921 1.294 1.00 0.00 C ATOM 1200 C CYS A 80 -2.726 10.422 1.519 1.00 0.00 C ATOM 1201 O CYS A 80 -2.412 11.224 0.641 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.569 8.657 0.175 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.568 7.172 0.420 1.00 0.00 S ATOM 0 H CYS A 80 -4.024 8.174 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.216 8.468 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.105 8.569 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.907 9.518 0.087 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.323 6.206 0.852 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.207 10.793 2.702 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.399 12.198 3.041 1.00 0.00 C ATOM 1211 C GLU A 81 -2.059 12.886 3.286 1.00 0.00 C ATOM 1212 O GLU A 81 -1.385 12.622 4.282 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.286 12.330 4.280 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.969 13.683 4.398 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.472 13.961 5.801 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -6.278 13.157 6.314 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.060 14.985 6.386 1.00 0.00 O ATOM 0 H GLU A 81 -3.470 10.141 3.441 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.890 12.685 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.046 11.549 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.680 12.159 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.270 14.466 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.806 13.726 3.701 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.678 13.770 2.369 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.419 14.497 2.485 1.00 0.00 C ATOM 1226 C VAL A 82 -0.595 15.775 3.297 1.00 0.00 C ATOM 1227 O VAL A 82 -1.680 16.053 3.807 1.00 0.00 O ATOM 1228 CB VAL A 82 0.151 14.856 1.099 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.438 16.168 0.604 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.669 14.929 1.151 1.00 0.00 C ATOM 0 H VAL A 82 -2.223 14.000 1.538 1.00 0.00 H new ATOM 0 HA VAL A 82 0.281 13.838 2.998 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.128 14.072 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.024 16.406 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.521 16.075 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.191 16.965 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.055 15.184 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.972 15.693 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.069 13.963 1.459 1.00 0.00 H new ATOM 1240 N GLU A 83 0.480 16.549 3.412 1.00 0.00 N ATOM 1241 CA GLU A 83 0.443 17.798 4.164 1.00 0.00 C ATOM 1242 C GLU A 83 -0.940 18.438 4.089 1.00 0.00 C ATOM 1243 O GLU A 83 -1.594 18.649 5.110 1.00 0.00 O ATOM 1244 CB GLU A 83 1.497 18.771 3.630 1.00 0.00 C ATOM 1245 CG GLU A 83 2.622 18.091 2.868 1.00 0.00 C ATOM 1246 CD GLU A 83 3.353 17.059 3.704 1.00 0.00 C ATOM 1247 OE1 GLU A 83 2.899 15.897 3.741 1.00 0.00 O ATOM 1248 OE2 GLU A 83 4.379 17.414 4.322 1.00 0.00 O ATOM 0 H GLU A 83 1.386 16.334 2.995 1.00 0.00 H new ATOM 0 HA GLU A 83 0.663 17.571 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.012 19.495 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.920 19.329 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.214 17.610 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.331 18.845 2.526 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.379 18.744 2.872 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.684 19.358 2.663 1.00 0.00 C ATOM 1257 C ALA A 84 -3.544 18.514 1.729 1.00 0.00 C ATOM 1258 O ALA A 84 -4.752 18.383 1.931 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.522 20.765 2.107 1.00 0.00 C ATOM 0 H ALA A 84 -0.850 18.577 2.016 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.190 19.416 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.505 21.212 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.952 21.371 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.993 20.721 1.155 1.00 0.00 H new ATOM 1265 N SER A 85 -2.916 17.944 0.706 1.00 0.00 N ATOM 1266 CA SER A 85 -3.625 17.116 -0.262 1.00 0.00 C ATOM 1267 C SER A 85 -3.824 15.701 0.276 1.00 0.00 C ATOM 1268 O SER A 85 -3.362 15.368 1.367 1.00 0.00 O ATOM 1269 CB SER A 85 -2.858 17.068 -1.584 1.00 0.00 C ATOM 1270 OG SER A 85 -3.742 16.932 -2.683 1.00 0.00 O ATOM 0 H SER A 85 -1.917 18.041 0.526 1.00 0.00 H new ATOM 0 HA SER A 85 -4.605 17.562 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.268 17.977 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.158 16.233 -1.571 1.00 0.00 H new ATOM 0 HG SER A 85 -3.227 16.906 -3.516 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.515 14.873 -0.499 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.775 13.493 -0.105 1.00 0.00 C ATOM 1278 C LYS A 86 -5.261 12.670 -1.293 1.00 0.00 C ATOM 1279 O LYS A 86 -5.961 13.179 -2.168 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.813 13.450 1.019 1.00 0.00 C ATOM 1281 CG LYS A 86 -7.227 13.748 0.552 1.00 0.00 C ATOM 1282 CD LYS A 86 -8.259 13.027 1.403 1.00 0.00 C ATOM 1283 CE LYS A 86 -9.557 12.809 0.641 1.00 0.00 C ATOM 1284 NZ LYS A 86 -10.733 12.751 1.552 1.00 0.00 N ATOM 0 H LYS A 86 -4.906 15.133 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.841 13.061 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.793 12.464 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.534 14.170 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.406 14.822 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.338 13.447 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.859 12.065 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.458 13.607 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.695 13.616 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.493 11.882 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.598 12.601 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.614 11.965 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.810 13.646 2.077 1.00 0.00 H new ATOM 1298 N SER A 87 -4.888 11.394 -1.316 1.00 0.00 N ATOM 1299 CA SER A 87 -5.284 10.501 -2.399 1.00 0.00 C ATOM 1300 C SER A 87 -6.263 9.443 -1.899 1.00 0.00 C ATOM 1301 O SER A 87 -6.650 9.441 -0.730 1.00 0.00 O ATOM 1302 CB SER A 87 -4.054 9.827 -3.009 1.00 0.00 C ATOM 1303 OG SER A 87 -4.424 8.925 -4.037 1.00 0.00 O ATOM 0 H SER A 87 -4.312 10.956 -0.597 1.00 0.00 H new ATOM 0 HA SER A 87 -5.780 11.097 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.382 10.585 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.505 9.293 -2.233 1.00 0.00 H new ATOM 0 HG SER A 87 -4.120 8.023 -3.806 1.00 0.00 H new ATOM 1309 N THR A 88 -6.659 8.543 -2.793 1.00 0.00 N ATOM 1310 CA THR A 88 -7.593 7.480 -2.445 1.00 0.00 C ATOM 1311 C THR A 88 -7.515 6.330 -3.443 1.00 0.00 C ATOM 1312 O THR A 88 -7.598 6.540 -4.653 1.00 0.00 O ATOM 1313 CB THR A 88 -9.042 8.000 -2.391 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.111 9.175 -1.576 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.979 6.937 -1.836 1.00 0.00 C ATOM 0 H THR A 88 -6.347 8.529 -3.764 1.00 0.00 H new ATOM 0 HA THR A 88 -7.307 7.120 -1.457 1.00 0.00 H new ATOM 0 HB THR A 88 -9.355 8.243 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.384 9.161 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.996 7.328 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.947 6.054 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.666 6.667 -0.828 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.355 5.115 -2.928 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.269 3.932 -3.775 1.00 0.00 C ATOM 1325 C ALA A 89 -8.167 2.816 -3.253 1.00 0.00 C ATOM 1326 O ALA A 89 -8.709 2.907 -2.151 1.00 0.00 O ATOM 1327 CB ALA A 89 -5.828 3.453 -3.866 1.00 0.00 C ATOM 0 H ALA A 89 -7.282 4.925 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.615 4.204 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.778 2.569 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.209 4.242 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.464 3.204 -2.869 1.00 0.00 H new ATOM 1333 N SER A 90 -8.322 1.765 -4.052 1.00 0.00 N ATOM 1334 CA SER A 90 -9.160 0.633 -3.672 1.00 0.00 C ATOM 1335 C SER A 90 -8.459 -0.687 -3.975 1.00 0.00 C ATOM 1336 O SER A 90 -8.327 -1.082 -5.135 1.00 0.00 O ATOM 1337 CB SER A 90 -10.500 0.694 -4.408 1.00 0.00 C ATOM 1338 OG SER A 90 -11.185 1.900 -4.122 1.00 0.00 O ATOM 0 H SER A 90 -7.879 1.674 -4.966 1.00 0.00 H new ATOM 0 HA SER A 90 -9.341 0.690 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.332 0.613 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.117 -0.156 -4.117 1.00 0.00 H new ATOM 0 HG SER A 90 -12.037 1.915 -4.606 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.010 -1.366 -2.925 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.322 -2.643 -3.078 1.00 0.00 C ATOM 1346 C LEU A 91 -8.320 -3.779 -3.281 1.00 0.00 C ATOM 1347 O LEU A 91 -9.428 -3.749 -2.746 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.453 -2.927 -1.850 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.054 -4.386 -1.633 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.097 -4.846 -2.723 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.426 -4.569 -0.259 1.00 0.00 C ATOM 0 H LEU A 91 -8.110 -1.054 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.685 -2.581 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.544 -2.330 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.987 -2.582 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.954 -4.999 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.824 -5.887 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.581 -4.753 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.200 -4.228 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.148 -5.614 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.537 -3.944 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.143 -4.280 0.510 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.918 -4.781 -4.057 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.776 -5.928 -4.329 1.00 0.00 C ATOM 1365 C HIS A 92 -8.027 -7.236 -4.090 1.00 0.00 C ATOM 1366 O HIS A 92 -6.869 -7.380 -4.482 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.290 -5.878 -5.768 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.135 -4.676 -6.060 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.824 -3.496 -6.646 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -11.474 -4.601 -5.739 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.968 -2.738 -6.669 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.950 -3.428 -6.116 1.00 0.00 N flip ATOM 0 H HIS A 92 -7.004 -4.821 -4.508 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.624 -5.885 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.439 -5.888 -6.450 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.871 -6.778 -5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.044 -5.380 -5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.052 -1.740 -7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.912 -3.109 -6.000 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.696 -8.186 -3.444 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.093 -9.481 -3.153 1.00 0.00 C ATOM 1383 C VAL A 93 -9.087 -10.614 -3.384 1.00 0.00 C ATOM 1384 O VAL A 93 -10.162 -10.641 -2.786 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.583 -9.550 -1.701 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -6.987 -10.918 -1.408 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.565 -8.449 -1.443 1.00 0.00 C ATOM 0 H VAL A 93 -9.655 -8.083 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.249 -9.596 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.428 -9.398 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.632 -10.947 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.748 -11.685 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.153 -11.104 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.215 -8.512 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.720 -8.568 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.030 -7.477 -1.610 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.720 -11.548 -4.256 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.581 -12.683 -4.567 1.00 0.00 C ATOM 1399 C GLU A 94 -8.757 -13.951 -4.769 1.00 0.00 C ATOM 1400 O GLU A 94 -7.615 -13.895 -5.224 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.410 -12.395 -5.821 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.247 -11.132 -5.720 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.235 -10.994 -6.862 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -13.285 -11.669 -6.823 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -11.958 -10.211 -7.795 1.00 0.00 O ATOM 0 H GLU A 94 -7.833 -11.541 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.254 -12.838 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.741 -12.310 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.068 -13.242 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.789 -11.134 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.588 -10.264 -5.708 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.345 -15.093 -4.425 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.664 -16.375 -4.567 1.00 0.00 C ATOM 1414 C GLU A 95 -9.080 -17.071 -5.860 1.00 0.00 C ATOM 1415 O GLU A 95 -10.239 -17.008 -6.268 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.971 -17.276 -3.369 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.856 -18.255 -3.042 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.256 -19.262 -1.982 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.386 -19.787 -2.058 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.437 -19.525 -1.076 1.00 0.00 O ATOM 0 H GLU A 95 -10.290 -15.157 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.591 -16.186 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.163 -16.652 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.886 -17.834 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.565 -18.784 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.981 -17.702 -2.701 1.00 0.00 H new ATOM 1427 N LYS A 96 -8.124 -17.735 -6.501 1.00 0.00 N ATOM 1428 CA LYS A 96 -8.388 -18.444 -7.747 1.00 0.00 C ATOM 1429 C LYS A 96 -9.793 -19.038 -7.748 1.00 0.00 C ATOM 1430 O LYS A 96 -10.161 -19.786 -6.842 1.00 0.00 O ATOM 1431 CB LYS A 96 -7.354 -19.553 -7.956 1.00 0.00 C ATOM 1432 CG LYS A 96 -6.006 -19.045 -8.438 1.00 0.00 C ATOM 1433 CD LYS A 96 -5.168 -20.164 -9.032 1.00 0.00 C ATOM 1434 CE LYS A 96 -4.066 -19.620 -9.928 1.00 0.00 C ATOM 1435 NZ LYS A 96 -3.040 -18.870 -9.153 1.00 0.00 N ATOM 0 H LYS A 96 -7.159 -17.797 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.315 -17.728 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.216 -20.091 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.743 -20.269 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.156 -18.266 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.469 -18.590 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.727 -20.755 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.808 -20.834 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.589 -20.444 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.502 -18.965 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.307 -18.516 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.490 -18.068 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.606 -19.502 -8.450 1.00 0.00 H new ATOM 1449 N ALA A 97 -10.572 -18.702 -8.771 1.00 0.00 N ATOM 1450 CA ALA A 97 -11.934 -19.205 -8.891 1.00 0.00 C ATOM 1451 C ALA A 97 -12.057 -20.188 -10.050 1.00 0.00 C ATOM 1452 O ALA A 97 -12.128 -19.786 -11.212 1.00 0.00 O ATOM 1453 CB ALA A 97 -12.909 -18.051 -9.069 1.00 0.00 C ATOM 0 H ALA A 97 -10.283 -18.083 -9.529 1.00 0.00 H new ATOM 0 HA ALA A 97 -12.181 -19.736 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -13.923 -18.442 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.849 -17.388 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.654 -17.495 -9.972 1.00 0.00 H new ATOM 1459 N SER A 98 -12.080 -21.477 -9.728 1.00 0.00 N ATOM 1460 CA SER A 98 -12.189 -22.517 -10.743 1.00 0.00 C ATOM 1461 C SER A 98 -13.399 -23.409 -10.481 1.00 0.00 C ATOM 1462 O SER A 98 -13.733 -23.698 -9.333 1.00 0.00 O ATOM 1463 CB SER A 98 -10.915 -23.364 -10.775 1.00 0.00 C ATOM 1464 OG SER A 98 -10.680 -23.980 -9.520 1.00 0.00 O ATOM 0 H SER A 98 -12.025 -21.826 -8.771 1.00 0.00 H new ATOM 0 HA SER A 98 -12.320 -22.032 -11.711 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.002 -24.128 -11.548 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.064 -22.737 -11.041 1.00 0.00 H new ATOM 0 HG SER A 98 -9.861 -24.517 -9.567 1.00 0.00 H new ATOM 1470 N GLY A 99 -14.052 -23.841 -11.555 1.00 0.00 N ATOM 1471 CA GLY A 99 -15.218 -24.694 -11.421 1.00 0.00 C ATOM 1472 C GLY A 99 -16.468 -24.064 -12.003 1.00 0.00 C ATOM 1473 O GLY A 99 -16.546 -22.850 -12.193 1.00 0.00 O ATOM 0 H GLY A 99 -13.794 -23.615 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.028 -25.644 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.383 -24.915 -10.366 1.00 0.00 H new ATOM 1477 N PRO A 100 -17.475 -24.900 -12.297 1.00 0.00 N ATOM 1478 CA PRO A 100 -18.745 -24.440 -12.866 1.00 0.00 C ATOM 1479 C PRO A 100 -19.572 -23.639 -11.866 1.00 0.00 C ATOM 1480 O PRO A 100 -19.525 -23.893 -10.663 1.00 0.00 O ATOM 1481 CB PRO A 100 -19.462 -25.742 -13.232 1.00 0.00 C ATOM 1482 CG PRO A 100 -18.883 -26.764 -12.316 1.00 0.00 C ATOM 1483 CD PRO A 100 -17.451 -26.359 -12.096 1.00 0.00 C ATOM 0 HA PRO A 100 -18.594 -23.769 -13.711 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -20.540 -25.653 -13.095 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -19.295 -26.006 -14.276 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -19.429 -26.797 -11.373 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -18.944 -27.760 -12.754 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -17.108 -26.621 -11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -16.781 -26.851 -12.801 1.00 0.00 H new ATOM 1491 N SER A 101 -20.330 -22.671 -12.372 1.00 0.00 N ATOM 1492 CA SER A 101 -21.165 -21.830 -11.523 1.00 0.00 C ATOM 1493 C SER A 101 -22.104 -22.681 -10.672 1.00 0.00 C ATOM 1494 O SER A 101 -22.216 -22.481 -9.463 1.00 0.00 O ATOM 1495 CB SER A 101 -21.976 -20.853 -12.376 1.00 0.00 C ATOM 1496 OG SER A 101 -21.164 -19.789 -12.842 1.00 0.00 O ATOM 0 H SER A 101 -20.383 -22.450 -13.366 1.00 0.00 H new ATOM 0 HA SER A 101 -20.512 -21.265 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.412 -21.381 -13.224 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.804 -20.454 -11.790 1.00 0.00 H new ATOM 0 HG SER A 101 -21.705 -19.179 -13.386 1.00 0.00 H new ATOM 1502 N SER A 102 -22.777 -23.630 -11.314 1.00 0.00 N ATOM 1503 CA SER A 102 -23.709 -24.510 -10.619 1.00 0.00 C ATOM 1504 C SER A 102 -23.133 -25.916 -10.485 1.00 0.00 C ATOM 1505 O SER A 102 -22.049 -26.206 -10.990 1.00 0.00 O ATOM 1506 CB SER A 102 -25.045 -24.562 -11.363 1.00 0.00 C ATOM 1507 OG SER A 102 -25.877 -23.475 -10.995 1.00 0.00 O ATOM 0 H SER A 102 -22.694 -23.809 -12.315 1.00 0.00 H new ATOM 0 HA SER A 102 -23.873 -24.108 -9.619 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.867 -24.540 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.551 -25.502 -11.143 1.00 0.00 H new ATOM 0 HG SER A 102 -26.724 -23.530 -11.485 1.00 0.00 H new ATOM 1513 N GLY A 103 -23.868 -26.787 -9.800 1.00 0.00 N ATOM 1514 CA GLY A 103 -23.415 -28.153 -9.611 1.00 0.00 C ATOM 1515 C GLY A 103 -22.532 -28.307 -8.388 1.00 0.00 C ATOM 1516 O GLY A 103 -22.068 -29.406 -8.084 1.00 0.00 O ATOM 0 H GLY A 103 -24.769 -26.571 -9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -24.280 -28.809 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.865 -28.476 -10.495 1.00 0.00 H new TER 1520 GLY A 103