USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=29 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 -80:sc= 0.292 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0.273 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -134:sc= 0.381 (180deg=-0.188) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0.22 USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0619 (180deg=0) USER MOD Single : A 2 SER OG : rot 150:sc= 0.151 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc=-0.00952 K(o=-0.0095,f=-1.4!) USER MOD Single : A 30 CYS SG : rot 180:sc= -3.28! USER MOD Single : A 33 SER OG : rot -18:sc= 0.38 USER MOD Single : A 37 THR OG1 : rot -94:sc= -0.502 USER MOD Single : A 40 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0405 (180deg=-0.278) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0335 USER MOD Single : A 61 THR OG1 : rot -6:sc= 0.623 USER MOD Single : A 62 MET CE :methyl -136:sc= -1.8 (180deg=-4.68!) USER MOD Single : A 64 MET CE :methyl 172:sc= 0 (180deg=-0.091) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0253 (180deg=-0.236) USER MOD Single : A 78 TYR OH : rot -178:sc= 0.00483 USER MOD Single : A 80 CYS SG : rot 180:sc= -3.98! USER MOD Single : A 85 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -160:sc= -0.0784 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -4.32! K(o=-4.3!,f=-1.9) 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 23:sc= 0.421! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.725 31.541 2.495 1.00 0.00 N ATOM 2 CA GLY A 1 10.587 30.819 1.243 1.00 0.00 C ATOM 3 C GLY A 1 11.703 29.817 1.026 1.00 0.00 C ATOM 4 O GLY A 1 12.773 29.929 1.625 1.00 0.00 O ATOM 0 H1 GLY A 1 10.094 31.123 3.208 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.709 31.479 2.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.470 32.539 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.629 30.299 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.575 31.530 0.417 1.00 0.00 H new ATOM 8 N SER A 2 11.454 28.833 0.168 1.00 0.00 N ATOM 9 CA SER A 2 12.445 27.803 -0.123 1.00 0.00 C ATOM 10 C SER A 2 13.624 28.387 -0.895 1.00 0.00 C ATOM 11 O SER A 2 13.444 29.063 -1.908 1.00 0.00 O ATOM 12 CB SER A 2 11.809 26.666 -0.924 1.00 0.00 C ATOM 13 OG SER A 2 11.365 27.120 -2.191 1.00 0.00 O ATOM 0 H SER A 2 10.575 28.727 -0.338 1.00 0.00 H new ATOM 0 HA SER A 2 12.813 27.409 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.532 25.861 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.968 26.251 -0.368 1.00 0.00 H new ATOM 0 HG SER A 2 11.415 26.385 -2.838 1.00 0.00 H new ATOM 19 N SER A 3 14.832 28.120 -0.408 1.00 0.00 N ATOM 20 CA SER A 3 16.042 28.621 -1.049 1.00 0.00 C ATOM 21 C SER A 3 15.921 28.552 -2.568 1.00 0.00 C ATOM 22 O SER A 3 16.223 29.515 -3.271 1.00 0.00 O ATOM 23 CB SER A 3 17.260 27.819 -0.586 1.00 0.00 C ATOM 24 OG SER A 3 18.462 28.390 -1.072 1.00 0.00 O ATOM 0 H SER A 3 14.998 27.560 0.428 1.00 0.00 H new ATOM 0 HA SER A 3 16.171 29.664 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.284 27.785 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.176 26.790 -0.935 1.00 0.00 H new ATOM 0 HG SER A 3 19.225 27.860 -0.761 1.00 0.00 H new ATOM 30 N GLY A 4 15.477 27.403 -3.068 1.00 0.00 N ATOM 31 CA GLY A 4 15.323 27.227 -4.501 1.00 0.00 C ATOM 32 C GLY A 4 14.045 27.849 -5.027 1.00 0.00 C ATOM 33 O GLY A 4 13.730 28.997 -4.713 1.00 0.00 O ATOM 0 H GLY A 4 15.221 26.591 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.177 27.671 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.329 26.163 -4.736 1.00 0.00 H new ATOM 37 N SER A 5 13.308 27.091 -5.833 1.00 0.00 N ATOM 38 CA SER A 5 12.060 27.577 -6.409 1.00 0.00 C ATOM 39 C SER A 5 10.864 27.111 -5.585 1.00 0.00 C ATOM 40 O SER A 5 10.910 26.063 -4.941 1.00 0.00 O ATOM 41 CB SER A 5 11.918 27.093 -7.853 1.00 0.00 C ATOM 42 OG SER A 5 11.903 25.678 -7.918 1.00 0.00 O ATOM 0 H SER A 5 13.554 26.138 -6.102 1.00 0.00 H new ATOM 0 HA SER A 5 12.084 28.667 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.999 27.490 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.743 27.479 -8.452 1.00 0.00 H new ATOM 0 HG SER A 5 11.810 25.394 -8.851 1.00 0.00 H new ATOM 48 N SER A 6 9.793 27.898 -5.611 1.00 0.00 N ATOM 49 CA SER A 6 8.584 27.570 -4.863 1.00 0.00 C ATOM 50 C SER A 6 7.976 26.263 -5.362 1.00 0.00 C ATOM 51 O SER A 6 7.306 26.230 -6.393 1.00 0.00 O ATOM 52 CB SER A 6 7.561 28.701 -4.984 1.00 0.00 C ATOM 53 OG SER A 6 6.483 28.511 -4.085 1.00 0.00 O ATOM 0 H SER A 6 9.738 28.767 -6.142 1.00 0.00 H new ATOM 0 HA SER A 6 8.856 27.448 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.045 29.656 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.183 28.746 -6.005 1.00 0.00 H new ATOM 0 HG SER A 6 5.844 29.248 -4.181 1.00 0.00 H new ATOM 59 N GLY A 7 8.215 25.185 -4.621 1.00 0.00 N ATOM 60 CA GLY A 7 7.685 23.889 -5.003 1.00 0.00 C ATOM 61 C GLY A 7 6.964 23.199 -3.862 1.00 0.00 C ATOM 62 O GLY A 7 7.551 22.890 -2.825 1.00 0.00 O ATOM 0 H GLY A 7 8.766 25.186 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.999 24.013 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.500 23.254 -5.350 1.00 0.00 H new ATOM 66 N PRO A 8 5.659 22.947 -4.047 1.00 0.00 N ATOM 67 CA PRO A 8 4.829 22.288 -3.035 1.00 0.00 C ATOM 68 C PRO A 8 5.188 20.816 -2.860 1.00 0.00 C ATOM 69 O PRO A 8 6.095 20.306 -3.517 1.00 0.00 O ATOM 70 CB PRO A 8 3.410 22.429 -3.592 1.00 0.00 C ATOM 71 CG PRO A 8 3.593 22.559 -5.065 1.00 0.00 C ATOM 72 CD PRO A 8 4.894 23.288 -5.258 1.00 0.00 C ATOM 0 HA PRO A 8 4.960 22.732 -2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.799 21.561 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.907 23.302 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.620 21.580 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.767 23.110 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.407 22.962 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.742 24.364 -5.348 1.00 0.00 H new ATOM 80 N ALA A 9 4.470 20.138 -1.971 1.00 0.00 N ATOM 81 CA ALA A 9 4.712 18.724 -1.712 1.00 0.00 C ATOM 82 C ALA A 9 3.431 17.911 -1.866 1.00 0.00 C ATOM 83 O ALA A 9 3.270 16.864 -1.240 1.00 0.00 O ATOM 84 CB ALA A 9 5.295 18.535 -0.320 1.00 0.00 C ATOM 0 H ALA A 9 3.716 20.545 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 9 5.431 18.363 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.471 17.474 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.238 19.077 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.595 18.918 0.423 1.00 0.00 H new ATOM 90 N ALA A 10 2.521 18.401 -2.702 1.00 0.00 N ATOM 91 CA ALA A 10 1.255 17.719 -2.938 1.00 0.00 C ATOM 92 C ALA A 10 1.461 16.447 -3.754 1.00 0.00 C ATOM 93 O ALA A 10 2.554 16.194 -4.262 1.00 0.00 O ATOM 94 CB ALA A 10 0.279 18.648 -3.644 1.00 0.00 C ATOM 0 H ALA A 10 2.637 19.268 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 10 0.837 17.437 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.662 18.126 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.100 19.526 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.699 18.959 -4.600 1.00 0.00 H new ATOM 100 N ILE A 11 0.405 15.650 -3.874 1.00 0.00 N ATOM 101 CA ILE A 11 0.470 14.404 -4.629 1.00 0.00 C ATOM 102 C ILE A 11 0.027 14.612 -6.073 1.00 0.00 C ATOM 103 O ILE A 11 -1.146 14.874 -6.341 1.00 0.00 O ATOM 104 CB ILE A 11 -0.404 13.311 -3.987 1.00 0.00 C ATOM 105 CG1 ILE A 11 -0.017 13.113 -2.520 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.269 12.005 -4.757 1.00 0.00 C ATOM 107 CD1 ILE A 11 -1.100 12.456 -1.693 1.00 0.00 C ATOM 0 H ILE A 11 -0.506 15.844 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 11 1.511 14.080 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.446 13.629 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.886 12.505 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.226 14.081 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.893 11.242 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.589 12.156 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.772 11.681 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.757 12.347 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.998 13.074 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.327 11.473 -2.106 1.00 0.00 H new ATOM 119 N ILE A 12 0.972 14.491 -6.999 1.00 0.00 N ATOM 120 CA ILE A 12 0.677 14.663 -8.416 1.00 0.00 C ATOM 121 C ILE A 12 0.216 13.352 -9.045 1.00 0.00 C ATOM 122 O ILE A 12 -0.657 13.340 -9.913 1.00 0.00 O ATOM 123 CB ILE A 12 1.905 15.184 -9.187 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.192 14.623 -8.580 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.928 16.705 -9.178 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.735 15.455 -7.439 1.00 0.00 C ATOM 0 H ILE A 12 1.947 14.275 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.125 15.398 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 12 1.837 14.846 -10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.004 13.610 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.950 14.551 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.801 17.059 -9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.023 17.085 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.976 17.062 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.648 14.998 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.955 16.462 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.994 15.506 -6.641 1.00 0.00 H new ATOM 138 N LYS A 13 0.807 12.248 -8.600 1.00 0.00 N ATOM 139 CA LYS A 13 0.456 10.930 -9.115 1.00 0.00 C ATOM 140 C LYS A 13 -0.311 10.125 -8.071 1.00 0.00 C ATOM 141 O LYS A 13 0.270 9.526 -7.165 1.00 0.00 O ATOM 142 CB LYS A 13 1.717 10.172 -9.535 1.00 0.00 C ATOM 143 CG LYS A 13 2.455 10.815 -10.697 1.00 0.00 C ATOM 144 CD LYS A 13 3.649 9.981 -11.129 1.00 0.00 C ATOM 145 CE LYS A 13 4.294 10.541 -12.387 1.00 0.00 C ATOM 146 NZ LYS A 13 3.579 10.106 -13.618 1.00 0.00 N ATOM 0 H LYS A 13 1.532 12.240 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.185 11.066 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.391 10.103 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.444 9.153 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.773 10.939 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.791 11.811 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.384 9.951 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.331 8.954 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.302 11.630 -12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.333 10.217 -12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.050 10.509 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.593 9.068 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.594 10.437 -13.582 1.00 0.00 H new ATOM 160 N PRO A 14 -1.646 10.107 -8.199 1.00 0.00 N ATOM 161 CA PRO A 14 -2.520 9.376 -7.276 1.00 0.00 C ATOM 162 C PRO A 14 -2.387 7.865 -7.427 1.00 0.00 C ATOM 163 O PRO A 14 -1.888 7.373 -8.440 1.00 0.00 O ATOM 164 CB PRO A 14 -3.923 9.833 -7.681 1.00 0.00 C ATOM 165 CG PRO A 14 -3.793 10.239 -9.109 1.00 0.00 C ATOM 166 CD PRO A 14 -2.404 10.798 -9.255 1.00 0.00 C ATOM 0 HA PRO A 14 -2.275 9.580 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.650 9.030 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.262 10.664 -7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.943 9.387 -9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.543 10.984 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.991 10.596 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.389 11.879 -9.118 1.00 0.00 H new ATOM 174 N LEU A 15 -2.837 7.132 -6.414 1.00 0.00 N ATOM 175 CA LEU A 15 -2.769 5.675 -6.433 1.00 0.00 C ATOM 176 C LEU A 15 -3.755 5.098 -7.443 1.00 0.00 C ATOM 177 O LEU A 15 -4.545 5.828 -8.040 1.00 0.00 O ATOM 178 CB LEU A 15 -3.058 5.113 -5.041 1.00 0.00 C ATOM 179 CG LEU A 15 -2.373 5.824 -3.874 1.00 0.00 C ATOM 180 CD1 LEU A 15 -3.140 5.591 -2.581 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.932 5.353 -3.734 1.00 0.00 C ATOM 0 H LEU A 15 -3.253 7.523 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.761 5.386 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.135 5.142 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.761 4.064 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.366 6.894 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.637 6.105 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.154 5.978 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.180 4.523 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.460 5.870 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.917 4.278 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.386 5.573 -4.652 1.00 0.00 H new ATOM 193 N GLU A 16 -3.705 3.782 -7.626 1.00 0.00 N ATOM 194 CA GLU A 16 -4.596 3.107 -8.562 1.00 0.00 C ATOM 195 C GLU A 16 -5.040 1.755 -8.012 1.00 0.00 C ATOM 196 O GLU A 16 -4.253 1.032 -7.401 1.00 0.00 O ATOM 197 CB GLU A 16 -3.903 2.917 -9.914 1.00 0.00 C ATOM 198 CG GLU A 16 -3.500 4.222 -10.579 1.00 0.00 C ATOM 199 CD GLU A 16 -2.459 4.026 -11.664 1.00 0.00 C ATOM 200 OE1 GLU A 16 -2.460 2.952 -12.301 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.643 4.948 -11.877 1.00 0.00 O ATOM 0 H GLU A 16 -3.057 3.163 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.478 3.732 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.015 2.301 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.569 2.370 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.383 4.694 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.109 4.905 -9.824 1.00 0.00 H new ATOM 208 N ASP A 17 -6.307 1.420 -8.233 1.00 0.00 N ATOM 209 CA ASP A 17 -6.857 0.155 -7.760 1.00 0.00 C ATOM 210 C ASP A 17 -5.913 -1.001 -8.078 1.00 0.00 C ATOM 211 O ASP A 17 -5.458 -1.149 -9.212 1.00 0.00 O ATOM 212 CB ASP A 17 -8.225 -0.099 -8.394 1.00 0.00 C ATOM 213 CG ASP A 17 -9.241 0.964 -8.025 1.00 0.00 C ATOM 214 OD1 ASP A 17 -9.103 1.564 -6.938 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.174 1.196 -8.822 1.00 0.00 O ATOM 0 H ASP A 17 -6.972 2.007 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.972 0.219 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.119 -0.135 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.593 -1.075 -8.077 1.00 0.00 H new ATOM 220 N GLN A 18 -5.623 -1.815 -7.069 1.00 0.00 N ATOM 221 CA GLN A 18 -4.731 -2.956 -7.241 1.00 0.00 C ATOM 222 C GLN A 18 -5.514 -4.265 -7.226 1.00 0.00 C ATOM 223 O GLN A 18 -6.501 -4.401 -6.504 1.00 0.00 O ATOM 224 CB GLN A 18 -3.669 -2.971 -6.140 1.00 0.00 C ATOM 225 CG GLN A 18 -2.881 -1.676 -6.038 1.00 0.00 C ATOM 226 CD GLN A 18 -1.831 -1.544 -7.124 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.547 -2.499 -7.848 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.249 -0.357 -7.244 1.00 0.00 N ATOM 0 H GLN A 18 -5.992 -1.706 -6.124 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.239 -2.858 -8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.152 -3.169 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.978 -3.794 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.568 -0.832 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.397 -1.625 -5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.515 0.407 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.536 -0.209 -7.958 1.00 0.00 H new ATOM 237 N TRP A 19 -5.066 -5.225 -8.028 1.00 0.00 N ATOM 238 CA TRP A 19 -5.726 -6.523 -8.108 1.00 0.00 C ATOM 239 C TRP A 19 -4.730 -7.654 -7.877 1.00 0.00 C ATOM 240 O TRP A 19 -4.018 -8.065 -8.794 1.00 0.00 O ATOM 241 CB TRP A 19 -6.402 -6.693 -9.470 1.00 0.00 C ATOM 242 CG TRP A 19 -7.751 -6.044 -9.548 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.940 -6.575 -9.136 1.00 0.00 C ATOM 244 CD2 TRP A 19 -8.049 -4.746 -10.072 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.959 -5.684 -9.372 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.438 -4.554 -9.945 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.277 -3.725 -10.634 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -10.069 -3.385 -10.361 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.904 -2.566 -11.046 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.289 -2.402 -10.907 1.00 0.00 C ATOM 0 H TRP A 19 -4.249 -5.129 -8.631 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.485 -6.565 -7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.759 -6.271 -10.242 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.505 -7.756 -9.686 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.061 -7.551 -8.690 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.944 -5.839 -9.156 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.209 -3.841 -10.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.136 -3.258 -10.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.317 -1.772 -11.483 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.749 -1.482 -11.237 1.00 0.00 H new ATOM 261 N VAL A 20 -4.684 -8.155 -6.646 1.00 0.00 N ATOM 262 CA VAL A 20 -3.775 -9.240 -6.296 1.00 0.00 C ATOM 263 C VAL A 20 -4.538 -10.436 -5.737 1.00 0.00 C ATOM 264 O VAL A 20 -5.768 -10.441 -5.706 1.00 0.00 O ATOM 265 CB VAL A 20 -2.729 -8.784 -5.262 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.925 -7.609 -5.798 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.402 -8.424 -3.946 1.00 0.00 C ATOM 0 H VAL A 20 -5.266 -7.827 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.264 -9.534 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.042 -9.610 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.191 -7.301 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.412 -7.906 -6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.596 -6.777 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.648 -8.104 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.113 -7.614 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.928 -9.295 -3.556 1.00 0.00 H new ATOM 277 N ALA A 21 -3.799 -11.448 -5.295 1.00 0.00 N ATOM 278 CA ALA A 21 -4.405 -12.649 -4.735 1.00 0.00 C ATOM 279 C ALA A 21 -4.217 -12.705 -3.222 1.00 0.00 C ATOM 280 O ALA A 21 -3.361 -12.027 -2.654 1.00 0.00 O ATOM 281 CB ALA A 21 -3.816 -13.891 -5.387 1.00 0.00 C ATOM 0 H ALA A 21 -2.779 -11.460 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.475 -12.616 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.278 -14.781 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.006 -13.864 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.741 -13.920 -5.210 1.00 0.00 H new ATOM 287 N PRO A 22 -5.036 -13.530 -2.553 1.00 0.00 N ATOM 288 CA PRO A 22 -4.979 -13.693 -1.098 1.00 0.00 C ATOM 289 C PRO A 22 -3.717 -14.419 -0.644 1.00 0.00 C ATOM 290 O PRO A 22 -3.707 -15.642 -0.511 1.00 0.00 O ATOM 291 CB PRO A 22 -6.220 -14.533 -0.786 1.00 0.00 C ATOM 292 CG PRO A 22 -6.499 -15.278 -2.045 1.00 0.00 C ATOM 293 CD PRO A 22 -6.080 -14.368 -3.167 1.00 0.00 C ATOM 0 HA PRO A 22 -4.956 -12.733 -0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.038 -15.214 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.064 -13.903 -0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.944 -16.215 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.556 -15.531 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.696 -14.930 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.914 -13.768 -3.531 1.00 0.00 H new ATOM 301 N GLY A 23 -2.653 -13.656 -0.409 1.00 0.00 N ATOM 302 CA GLY A 23 -1.401 -14.245 0.028 1.00 0.00 C ATOM 303 C GLY A 23 -0.193 -13.527 -0.542 1.00 0.00 C ATOM 304 O GLY A 23 0.934 -13.752 -0.103 1.00 0.00 O ATOM 0 H GLY A 23 -2.636 -12.642 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.353 -14.223 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.372 -15.293 -0.271 1.00 0.00 H new ATOM 308 N GLU A 24 -0.429 -12.661 -1.522 1.00 0.00 N ATOM 309 CA GLU A 24 0.649 -11.910 -2.153 1.00 0.00 C ATOM 310 C GLU A 24 0.881 -10.583 -1.436 1.00 0.00 C ATOM 311 O GLU A 24 0.119 -10.205 -0.546 1.00 0.00 O ATOM 312 CB GLU A 24 0.329 -11.655 -3.628 1.00 0.00 C ATOM 313 CG GLU A 24 -0.183 -12.884 -4.360 1.00 0.00 C ATOM 314 CD GLU A 24 0.179 -12.877 -5.833 1.00 0.00 C ATOM 315 OE1 GLU A 24 1.357 -12.615 -6.155 1.00 0.00 O ATOM 316 OE2 GLU A 24 -0.717 -13.135 -6.664 1.00 0.00 O ATOM 0 H GLU A 24 -1.357 -12.462 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 24 1.559 -12.505 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.417 -10.864 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.227 -11.292 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.228 -13.779 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.267 -12.939 -4.256 1.00 0.00 H new ATOM 323 N ASP A 25 1.938 -9.881 -1.828 1.00 0.00 N ATOM 324 CA ASP A 25 2.271 -8.597 -1.224 1.00 0.00 C ATOM 325 C ASP A 25 1.858 -7.444 -2.134 1.00 0.00 C ATOM 326 O ASP A 25 2.080 -7.485 -3.344 1.00 0.00 O ATOM 327 CB ASP A 25 3.771 -8.520 -0.932 1.00 0.00 C ATOM 328 CG ASP A 25 4.614 -8.939 -2.120 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.736 -8.140 -3.073 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.153 -10.065 -2.096 1.00 0.00 O ATOM 0 H ASP A 25 2.580 -10.180 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 25 1.721 -8.511 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.031 -7.500 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.006 -9.158 -0.080 1.00 0.00 H new ATOM 335 N VAL A 26 1.254 -6.418 -1.543 1.00 0.00 N ATOM 336 CA VAL A 26 0.810 -5.254 -2.300 1.00 0.00 C ATOM 337 C VAL A 26 1.725 -4.059 -2.059 1.00 0.00 C ATOM 338 O VAL A 26 2.205 -3.848 -0.945 1.00 0.00 O ATOM 339 CB VAL A 26 -0.634 -4.864 -1.933 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.996 -3.519 -2.545 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.608 -5.942 -2.382 1.00 0.00 C ATOM 0 H VAL A 26 1.061 -6.369 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 26 0.848 -5.529 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.703 -4.774 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.020 -3.260 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.317 -2.754 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.911 -3.578 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.623 -5.649 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.539 -6.067 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.360 -6.883 -1.891 1.00 0.00 H new ATOM 351 N GLU A 27 1.961 -3.279 -3.109 1.00 0.00 N ATOM 352 CA GLU A 27 2.820 -2.105 -3.010 1.00 0.00 C ATOM 353 C GLU A 27 2.147 -0.885 -3.635 1.00 0.00 C ATOM 354 O GLU A 27 1.985 -0.807 -4.853 1.00 0.00 O ATOM 355 CB GLU A 27 4.162 -2.367 -3.696 1.00 0.00 C ATOM 356 CG GLU A 27 4.896 -3.582 -3.153 1.00 0.00 C ATOM 357 CD GLU A 27 6.112 -3.947 -3.981 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.945 -4.235 -5.185 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.231 -3.945 -3.426 1.00 0.00 O ATOM 0 H GLU A 27 1.570 -3.439 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 27 2.994 -1.902 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.994 -2.502 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.797 -1.488 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.206 -3.386 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.213 -4.431 -3.123 1.00 0.00 H new ATOM 366 N LEU A 28 1.756 0.064 -2.791 1.00 0.00 N ATOM 367 CA LEU A 28 1.101 1.280 -3.258 1.00 0.00 C ATOM 368 C LEU A 28 2.081 2.448 -3.295 1.00 0.00 C ATOM 369 O LEU A 28 2.347 3.080 -2.272 1.00 0.00 O ATOM 370 CB LEU A 28 -0.085 1.623 -2.355 1.00 0.00 C ATOM 371 CG LEU A 28 -1.138 0.527 -2.184 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.941 0.751 -0.912 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.057 0.477 -3.396 1.00 0.00 C ATOM 0 H LEU A 28 1.881 0.014 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 28 0.739 1.102 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.299 1.887 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.575 2.511 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.626 -0.432 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.685 -0.039 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.272 0.735 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.442 1.717 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.800 -0.308 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.561 1.437 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.469 0.267 -4.290 1.00 0.00 H new ATOM 385 N ARG A 29 2.614 2.730 -4.479 1.00 0.00 N ATOM 386 CA ARG A 29 3.564 3.822 -4.649 1.00 0.00 C ATOM 387 C ARG A 29 2.853 5.098 -5.091 1.00 0.00 C ATOM 388 O ARG A 29 1.781 5.044 -5.697 1.00 0.00 O ATOM 389 CB ARG A 29 4.635 3.441 -5.673 1.00 0.00 C ATOM 390 CG ARG A 29 5.430 2.203 -5.291 1.00 0.00 C ATOM 391 CD ARG A 29 6.465 1.857 -6.349 1.00 0.00 C ATOM 392 NE ARG A 29 5.848 1.524 -7.630 1.00 0.00 N ATOM 393 CZ ARG A 29 6.523 1.437 -8.771 1.00 0.00 C ATOM 394 NH1 ARG A 29 7.830 1.658 -8.790 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.890 1.128 -9.896 1.00 0.00 N ATOM 0 H ARG A 29 2.404 2.217 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 29 4.041 4.007 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.159 3.273 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.321 4.279 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.927 2.369 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.751 1.361 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.143 2.700 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.066 1.015 -6.006 1.00 0.00 H new ATOM 0 HE ARG A 29 4.843 1.349 -7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.320 1.895 -7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.346 1.591 -9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.884 0.957 -9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.409 1.061 -10.772 1.00 0.00 H new ATOM 409 N CYS A 30 3.455 6.241 -4.786 1.00 0.00 N ATOM 410 CA CYS A 30 2.879 7.530 -5.151 1.00 0.00 C ATOM 411 C CYS A 30 3.969 8.519 -5.552 1.00 0.00 C ATOM 412 O CYS A 30 5.150 8.177 -5.579 1.00 0.00 O ATOM 413 CB CYS A 30 2.063 8.096 -3.987 1.00 0.00 C ATOM 414 SG CYS A 30 3.034 9.063 -2.807 1.00 0.00 S ATOM 0 H CYS A 30 4.342 6.302 -4.287 1.00 0.00 H new ATOM 0 HA CYS A 30 2.221 7.377 -6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.267 8.724 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.584 7.272 -3.458 1.00 0.00 H new ATOM 0 HG CYS A 30 2.257 9.501 -1.861 1.00 0.00 H new ATOM 420 N GLU A 31 3.562 9.746 -5.863 1.00 0.00 N ATOM 421 CA GLU A 31 4.505 10.783 -6.265 1.00 0.00 C ATOM 422 C GLU A 31 4.218 12.092 -5.535 1.00 0.00 C ATOM 423 O GLU A 31 3.061 12.458 -5.324 1.00 0.00 O ATOM 424 CB GLU A 31 4.438 11.006 -7.778 1.00 0.00 C ATOM 425 CG GLU A 31 5.649 11.729 -8.341 1.00 0.00 C ATOM 426 CD GLU A 31 6.754 10.779 -8.761 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.682 10.249 -9.889 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.688 10.564 -7.961 1.00 0.00 O ATOM 0 H GLU A 31 2.587 10.046 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 31 5.508 10.449 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.338 10.041 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.541 11.580 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.343 12.327 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.035 12.421 -7.592 1.00 0.00 H new ATOM 435 N LEU A 32 5.279 12.792 -5.149 1.00 0.00 N ATOM 436 CA LEU A 32 5.144 14.060 -4.441 1.00 0.00 C ATOM 437 C LEU A 32 5.978 15.148 -5.108 1.00 0.00 C ATOM 438 O LEU A 32 7.113 14.909 -5.521 1.00 0.00 O ATOM 439 CB LEU A 32 5.568 13.899 -2.980 1.00 0.00 C ATOM 440 CG LEU A 32 5.184 12.579 -2.312 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.080 12.307 -1.113 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.721 12.598 -1.893 1.00 0.00 C ATOM 0 H LEU A 32 6.243 12.503 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 32 4.096 14.358 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.651 14.011 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.132 14.715 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 32 5.324 11.775 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.792 11.363 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.118 12.249 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.973 13.114 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.466 11.650 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.555 13.412 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.093 12.745 -2.772 1.00 0.00 H new ATOM 454 N SER A 33 5.410 16.346 -5.208 1.00 0.00 N ATOM 455 CA SER A 33 6.101 17.471 -5.826 1.00 0.00 C ATOM 456 C SER A 33 7.346 17.848 -5.029 1.00 0.00 C ATOM 457 O SER A 33 8.138 18.690 -5.455 1.00 0.00 O ATOM 458 CB SER A 33 5.165 18.676 -5.932 1.00 0.00 C ATOM 459 OG SER A 33 5.858 19.822 -6.394 1.00 0.00 O ATOM 0 H SER A 33 4.473 16.562 -4.869 1.00 0.00 H new ATOM 0 HA SER A 33 6.409 17.170 -6.827 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.345 18.445 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.722 18.883 -4.958 1.00 0.00 H new ATOM 0 HG SER A 33 6.822 19.690 -6.278 1.00 0.00 H new ATOM 465 N ARG A 34 7.511 17.220 -3.870 1.00 0.00 N ATOM 466 CA ARG A 34 8.658 17.490 -3.011 1.00 0.00 C ATOM 467 C ARG A 34 8.971 16.286 -2.128 1.00 0.00 C ATOM 468 O ARG A 34 8.067 15.635 -1.606 1.00 0.00 O ATOM 469 CB ARG A 34 8.393 18.719 -2.141 1.00 0.00 C ATOM 470 CG ARG A 34 9.499 19.006 -1.138 1.00 0.00 C ATOM 471 CD ARG A 34 8.980 19.799 0.051 1.00 0.00 C ATOM 472 NE ARG A 34 8.797 21.212 -0.270 1.00 0.00 N ATOM 473 CZ ARG A 34 8.447 22.129 0.625 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.243 21.784 1.889 1.00 0.00 N ATOM 475 NH2 ARG A 34 8.300 23.395 0.256 1.00 0.00 N ATOM 0 H ARG A 34 6.865 16.521 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 34 9.520 17.685 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.264 19.589 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.455 18.578 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.929 18.067 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.299 19.562 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.031 19.377 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.678 19.704 0.883 1.00 0.00 H new ATOM 0 HE ARG A 34 8.946 21.511 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.355 20.812 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.974 22.491 2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.456 23.664 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.031 24.099 0.944 1.00 0.00 H new ATOM 489 N ALA A 35 10.258 15.996 -1.965 1.00 0.00 N ATOM 490 CA ALA A 35 10.690 14.872 -1.144 1.00 0.00 C ATOM 491 C ALA A 35 10.763 15.263 0.328 1.00 0.00 C ATOM 492 O ALA A 35 10.479 16.404 0.692 1.00 0.00 O ATOM 493 CB ALA A 35 12.039 14.357 -1.622 1.00 0.00 C ATOM 0 H ALA A 35 11.019 16.524 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 35 9.952 14.076 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.349 13.518 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.957 14.030 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.779 15.154 -1.551 1.00 0.00 H new ATOM 499 N GLY A 36 11.145 14.309 1.171 1.00 0.00 N ATOM 500 CA GLY A 36 11.247 14.574 2.595 1.00 0.00 C ATOM 501 C GLY A 36 9.916 14.955 3.211 1.00 0.00 C ATOM 502 O GLY A 36 9.858 15.409 4.354 1.00 0.00 O ATOM 0 H GLY A 36 11.386 13.357 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.637 13.690 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.964 15.378 2.761 1.00 0.00 H new ATOM 506 N THR A 37 8.840 14.773 2.451 1.00 0.00 N ATOM 507 CA THR A 37 7.503 15.104 2.927 1.00 0.00 C ATOM 508 C THR A 37 6.817 13.883 3.530 1.00 0.00 C ATOM 509 O THR A 37 6.812 12.795 2.954 1.00 0.00 O ATOM 510 CB THR A 37 6.625 15.664 1.792 1.00 0.00 C ATOM 511 OG1 THR A 37 6.875 17.063 1.624 1.00 0.00 O ATOM 512 CG2 THR A 37 5.150 15.440 2.089 1.00 0.00 C ATOM 0 H THR A 37 8.869 14.398 1.503 1.00 0.00 H new ATOM 0 HA THR A 37 7.621 15.868 3.695 1.00 0.00 H new ATOM 0 HB THR A 37 6.879 15.137 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.226 17.577 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.549 15.844 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.957 14.372 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.885 15.944 3.019 1.00 0.00 H new ATOM 520 N PRO A 38 6.221 14.065 4.718 1.00 0.00 N ATOM 521 CA PRO A 38 5.519 12.990 5.425 1.00 0.00 C ATOM 522 C PRO A 38 4.225 12.586 4.728 1.00 0.00 C ATOM 523 O PRO A 38 3.665 13.353 3.944 1.00 0.00 O ATOM 524 CB PRO A 38 5.220 13.602 6.796 1.00 0.00 C ATOM 525 CG PRO A 38 5.187 15.072 6.555 1.00 0.00 C ATOM 526 CD PRO A 38 6.187 15.335 5.463 1.00 0.00 C ATOM 0 HA PRO A 38 6.113 12.077 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.269 13.244 7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.987 13.337 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.190 15.396 6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.444 15.622 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.879 16.165 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.166 15.590 5.868 1.00 0.00 H new ATOM 534 N VAL A 39 3.753 11.378 5.019 1.00 0.00 N ATOM 535 CA VAL A 39 2.523 10.874 4.421 1.00 0.00 C ATOM 536 C VAL A 39 1.600 10.281 5.479 1.00 0.00 C ATOM 537 O VAL A 39 2.058 9.759 6.496 1.00 0.00 O ATOM 538 CB VAL A 39 2.816 9.803 3.353 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.256 8.502 4.007 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.595 9.580 2.473 1.00 0.00 C ATOM 0 H VAL A 39 4.204 10.730 5.665 1.00 0.00 H new ATOM 0 HA VAL A 39 2.030 11.723 3.948 1.00 0.00 H new ATOM 0 HB VAL A 39 3.631 10.158 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.458 7.758 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.160 8.676 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.465 8.139 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.820 8.820 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.759 9.247 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.330 10.513 1.975 1.00 0.00 H new ATOM 550 N HIS A 40 0.296 10.363 5.234 1.00 0.00 N ATOM 551 CA HIS A 40 -0.693 9.834 6.166 1.00 0.00 C ATOM 552 C HIS A 40 -1.469 8.680 5.538 1.00 0.00 C ATOM 553 O HIS A 40 -2.348 8.894 4.703 1.00 0.00 O ATOM 554 CB HIS A 40 -1.658 10.937 6.600 1.00 0.00 C ATOM 555 CG HIS A 40 -2.182 10.761 7.992 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.681 11.803 8.746 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.285 9.655 8.766 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.066 11.346 9.924 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.837 10.045 9.962 1.00 0.00 N ATOM 0 H HIS A 40 -0.100 10.791 4.397 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.165 9.459 7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.151 11.900 6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.498 10.968 5.906 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.988 8.653 8.494 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.495 11.935 10.721 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.037 9.430 10.751 1.00 0.00 H new ATOM 568 N TRP A 41 -1.137 7.460 5.943 1.00 0.00 N ATOM 569 CA TRP A 41 -1.803 6.273 5.418 1.00 0.00 C ATOM 570 C TRP A 41 -3.089 5.987 6.185 1.00 0.00 C ATOM 571 O TRP A 41 -3.053 5.558 7.339 1.00 0.00 O ATOM 572 CB TRP A 41 -0.869 5.064 5.494 1.00 0.00 C ATOM 573 CG TRP A 41 0.298 5.155 4.558 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.562 5.574 4.863 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.309 4.823 3.166 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.357 5.521 3.744 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.612 5.063 2.690 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.656 4.343 2.276 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.973 4.841 1.363 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.297 4.123 0.959 1.00 0.00 C ATOM 581 CH2 TRP A 41 1.009 4.371 0.513 1.00 0.00 C ATOM 0 H TRP A 41 -0.411 7.266 6.633 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.058 6.461 4.375 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.500 4.963 6.515 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.436 4.161 5.269 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.888 5.899 5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.343 5.781 3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.664 4.147 2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.978 5.033 1.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.035 3.754 0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.259 4.188 -0.522 1.00 0.00 H new ATOM 592 N LEU A 42 -4.224 6.226 5.538 1.00 0.00 N ATOM 593 CA LEU A 42 -5.523 5.993 6.160 1.00 0.00 C ATOM 594 C LEU A 42 -6.233 4.810 5.511 1.00 0.00 C ATOM 595 O LEU A 42 -6.526 4.827 4.315 1.00 0.00 O ATOM 596 CB LEU A 42 -6.394 7.246 6.054 1.00 0.00 C ATOM 597 CG LEU A 42 -5.800 8.528 6.639 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.297 9.744 5.874 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.144 8.648 8.117 1.00 0.00 C ATOM 0 H LEU A 42 -4.271 6.581 4.583 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.358 5.761 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.618 7.420 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.343 7.048 6.553 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.715 8.481 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.864 10.647 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.000 9.662 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.384 9.796 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.714 9.566 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.227 8.672 8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.738 7.792 8.656 1.00 0.00 H new ATOM 611 N LYS A 43 -6.510 3.783 6.308 1.00 0.00 N ATOM 612 CA LYS A 43 -7.189 2.591 5.813 1.00 0.00 C ATOM 613 C LYS A 43 -8.647 2.570 6.262 1.00 0.00 C ATOM 614 O LYS A 43 -8.943 2.307 7.428 1.00 0.00 O ATOM 615 CB LYS A 43 -6.475 1.330 6.305 1.00 0.00 C ATOM 616 CG LYS A 43 -7.219 0.046 5.984 1.00 0.00 C ATOM 617 CD LYS A 43 -6.278 -1.146 5.936 1.00 0.00 C ATOM 618 CE LYS A 43 -7.034 -2.444 5.697 1.00 0.00 C ATOM 619 NZ LYS A 43 -7.972 -2.753 6.812 1.00 0.00 N ATOM 0 H LYS A 43 -6.275 3.752 7.300 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.162 2.614 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.482 1.287 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.335 1.399 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.989 -0.127 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.727 0.149 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.544 -1.000 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.726 -1.213 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.591 -2.373 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.323 -3.263 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.275 -3.746 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.493 -2.597 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.804 -2.132 6.748 1.00 0.00 H new ATOM 633 N ASP A 44 -9.552 2.848 5.330 1.00 0.00 N ATOM 634 CA ASP A 44 -10.979 2.858 5.630 1.00 0.00 C ATOM 635 C ASP A 44 -11.285 3.803 6.788 1.00 0.00 C ATOM 636 O ASP A 44 -11.981 3.435 7.735 1.00 0.00 O ATOM 637 CB ASP A 44 -11.462 1.446 5.966 1.00 0.00 C ATOM 638 CG ASP A 44 -11.832 0.651 4.730 1.00 0.00 C ATOM 639 OD1 ASP A 44 -10.920 0.312 3.948 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.035 0.368 4.544 1.00 0.00 O ATOM 0 H ASP A 44 -9.323 3.069 4.361 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.508 3.213 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.681 0.919 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.327 1.509 6.626 1.00 0.00 H new ATOM 645 N ARG A 45 -10.758 5.020 6.707 1.00 0.00 N ATOM 646 CA ARG A 45 -10.973 6.017 7.749 1.00 0.00 C ATOM 647 C ARG A 45 -10.324 5.580 9.060 1.00 0.00 C ATOM 648 O ARG A 45 -10.927 5.686 10.129 1.00 0.00 O ATOM 649 CB ARG A 45 -12.470 6.250 7.961 1.00 0.00 C ATOM 650 CG ARG A 45 -13.235 6.505 6.673 1.00 0.00 C ATOM 651 CD ARG A 45 -13.072 7.942 6.204 1.00 0.00 C ATOM 652 NE ARG A 45 -13.963 8.258 5.090 1.00 0.00 N ATOM 653 CZ ARG A 45 -15.255 8.528 5.237 1.00 0.00 C ATOM 654 NH1 ARG A 45 -15.805 8.521 6.443 1.00 0.00 N ATOM 655 NH2 ARG A 45 -16.000 8.807 4.174 1.00 0.00 N ATOM 0 H ARG A 45 -10.179 5.340 5.931 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.510 6.950 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.897 5.381 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.606 7.101 8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.881 5.826 5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.292 6.289 6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.274 8.619 7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.039 8.109 5.901 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.571 8.272 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.236 8.308 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.798 8.729 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.580 8.814 3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.992 9.014 4.287 1.00 0.00 H new ATOM 669 N LYS A 46 -9.093 5.090 8.970 1.00 0.00 N ATOM 670 CA LYS A 46 -8.361 4.638 10.148 1.00 0.00 C ATOM 671 C LYS A 46 -6.857 4.784 9.943 1.00 0.00 C ATOM 672 O LYS A 46 -6.270 4.121 9.089 1.00 0.00 O ATOM 673 CB LYS A 46 -8.704 3.179 10.458 1.00 0.00 C ATOM 674 CG LYS A 46 -10.159 2.964 10.840 1.00 0.00 C ATOM 675 CD LYS A 46 -10.450 3.481 12.239 1.00 0.00 C ATOM 676 CE LYS A 46 -11.663 2.792 12.845 1.00 0.00 C ATOM 677 NZ LYS A 46 -12.123 3.472 14.088 1.00 0.00 N ATOM 0 H LYS A 46 -8.580 4.995 8.093 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.658 5.262 10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.472 2.567 9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.068 2.830 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.803 3.471 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.397 1.902 10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.581 3.318 12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.621 4.557 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.474 2.778 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.417 1.754 13.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.951 2.973 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.358 3.463 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.382 4.455 13.870 1.00 0.00 H new ATOM 691 N ALA A 47 -6.239 5.656 10.733 1.00 0.00 N ATOM 692 CA ALA A 47 -4.802 5.887 10.640 1.00 0.00 C ATOM 693 C ALA A 47 -4.029 4.577 10.742 1.00 0.00 C ATOM 694 O ALA A 47 -4.248 3.786 11.660 1.00 0.00 O ATOM 695 CB ALA A 47 -4.352 6.854 11.724 1.00 0.00 C ATOM 0 H ALA A 47 -6.711 6.214 11.445 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.591 6.328 9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.277 7.017 11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.873 7.804 11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.582 6.435 12.704 1.00 0.00 H new ATOM 701 N ILE A 48 -3.124 4.354 9.795 1.00 0.00 N ATOM 702 CA ILE A 48 -2.317 3.140 9.780 1.00 0.00 C ATOM 703 C ILE A 48 -1.004 3.342 10.528 1.00 0.00 C ATOM 704 O ILE A 48 -0.516 4.466 10.653 1.00 0.00 O ATOM 705 CB ILE A 48 -2.010 2.686 8.341 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.304 2.572 7.532 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.267 1.359 8.351 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.078 2.227 6.076 1.00 0.00 C ATOM 0 H ILE A 48 -2.931 4.998 9.028 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.901 2.367 10.280 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.372 3.433 7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.939 1.810 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.846 3.516 7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.057 1.052 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.329 1.471 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.881 0.602 8.838 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.038 2.163 5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.469 3.001 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.564 1.269 6.005 1.00 0.00 H new ATOM 720 N ARG A 49 -0.437 2.248 11.024 1.00 0.00 N ATOM 721 CA ARG A 49 0.821 2.305 11.759 1.00 0.00 C ATOM 722 C ARG A 49 1.902 1.495 11.051 1.00 0.00 C ATOM 723 O ARG A 49 1.639 0.414 10.523 1.00 0.00 O ATOM 724 CB ARG A 49 0.627 1.781 13.184 1.00 0.00 C ATOM 725 CG ARG A 49 0.029 0.385 13.243 1.00 0.00 C ATOM 726 CD ARG A 49 -0.658 0.129 14.576 1.00 0.00 C ATOM 727 NE ARG A 49 -0.625 -1.283 14.947 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.077 -1.749 16.105 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.594 -0.919 17.001 1.00 0.00 N ATOM 730 NH2 ARG A 49 -1.012 -3.048 16.370 1.00 0.00 N ATOM 0 H ARG A 49 -0.829 1.311 10.930 1.00 0.00 H new ATOM 0 HA ARG A 49 1.141 3.346 11.802 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.590 1.777 13.695 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.020 2.468 13.730 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.689 0.261 12.433 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.814 -0.355 13.089 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.173 0.719 15.353 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.693 0.465 14.520 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.233 -1.948 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.645 0.080 16.801 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.941 -1.280 17.890 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.614 -3.689 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.360 -3.405 17.260 1.00 0.00 H new ATOM 744 N LYS A 50 3.121 2.025 11.042 1.00 0.00 N ATOM 745 CA LYS A 50 4.244 1.352 10.400 1.00 0.00 C ATOM 746 C LYS A 50 4.640 0.098 11.171 1.00 0.00 C ATOM 747 O LYS A 50 4.953 0.162 12.360 1.00 0.00 O ATOM 748 CB LYS A 50 5.441 2.300 10.296 1.00 0.00 C ATOM 749 CG LYS A 50 6.592 1.739 9.479 1.00 0.00 C ATOM 750 CD LYS A 50 7.712 2.754 9.325 1.00 0.00 C ATOM 751 CE LYS A 50 8.392 3.040 10.655 1.00 0.00 C ATOM 752 NZ LYS A 50 9.591 3.907 10.490 1.00 0.00 N ATOM 0 H LYS A 50 3.356 2.919 11.473 1.00 0.00 H new ATOM 0 HA LYS A 50 3.934 1.057 9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.113 3.238 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.798 2.532 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.978 0.840 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.230 1.443 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.447 2.381 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.311 3.680 8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.684 3.524 11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.685 2.100 11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.026 4.079 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.278 3.435 9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.308 4.814 10.067 1.00 0.00 H new ATOM 766 N SER A 51 4.626 -1.041 10.487 1.00 0.00 N ATOM 767 CA SER A 51 4.982 -2.311 11.109 1.00 0.00 C ATOM 768 C SER A 51 5.223 -3.385 10.053 1.00 0.00 C ATOM 769 O SER A 51 4.969 -3.172 8.867 1.00 0.00 O ATOM 770 CB SER A 51 3.878 -2.761 12.068 1.00 0.00 C ATOM 771 OG SER A 51 4.411 -3.525 13.136 1.00 0.00 O ATOM 0 H SER A 51 4.372 -1.111 9.502 1.00 0.00 H new ATOM 0 HA SER A 51 5.905 -2.166 11.671 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.358 -1.889 12.464 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.140 -3.353 11.526 1.00 0.00 H new ATOM 0 HG SER A 51 3.686 -3.799 13.736 1.00 0.00 H new ATOM 777 N GLN A 52 5.714 -4.540 10.492 1.00 0.00 N ATOM 778 CA GLN A 52 5.989 -5.647 9.585 1.00 0.00 C ATOM 779 C GLN A 52 4.863 -5.812 8.570 1.00 0.00 C ATOM 780 O GLN A 52 5.103 -6.130 7.405 1.00 0.00 O ATOM 781 CB GLN A 52 6.176 -6.945 10.372 1.00 0.00 C ATOM 782 CG GLN A 52 7.531 -7.053 11.053 1.00 0.00 C ATOM 783 CD GLN A 52 8.624 -7.513 10.108 1.00 0.00 C ATOM 784 OE1 GLN A 52 8.447 -7.515 8.890 1.00 0.00 O ATOM 785 NE2 GLN A 52 9.763 -7.907 10.667 1.00 0.00 N ATOM 0 H GLN A 52 5.929 -4.733 11.470 1.00 0.00 H new ATOM 0 HA GLN A 52 6.909 -5.421 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.393 -7.019 11.126 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.049 -7.791 9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.802 -6.083 11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.460 -7.751 11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.866 -7.889 11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.534 -8.228 10.082 1.00 0.00 H new ATOM 794 N LYS A 53 3.631 -5.596 9.020 1.00 0.00 N ATOM 795 CA LYS A 53 2.466 -5.719 8.151 1.00 0.00 C ATOM 796 C LYS A 53 2.433 -4.594 7.122 1.00 0.00 C ATOM 797 O LYS A 53 2.351 -4.842 5.919 1.00 0.00 O ATOM 798 CB LYS A 53 1.181 -5.703 8.983 1.00 0.00 C ATOM 799 CG LYS A 53 -0.075 -5.486 8.157 1.00 0.00 C ATOM 800 CD LYS A 53 -0.380 -6.689 7.280 1.00 0.00 C ATOM 801 CE LYS A 53 -1.510 -6.395 6.305 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.847 -6.573 6.935 1.00 0.00 N ATOM 0 H LYS A 53 3.414 -5.335 9.982 1.00 0.00 H new ATOM 0 HA LYS A 53 2.537 -6.669 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.094 -6.647 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.253 -4.915 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.919 -5.294 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.047 -4.601 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.515 -6.974 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.651 -7.539 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.415 -5.373 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.425 -7.054 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.462 -7.116 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.742 -7.086 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.272 -5.641 7.116 1.00 0.00 H new ATOM 816 N TYR A 54 2.498 -3.357 7.603 1.00 0.00 N ATOM 817 CA TYR A 54 2.474 -2.194 6.724 1.00 0.00 C ATOM 818 C TYR A 54 3.811 -1.460 6.754 1.00 0.00 C ATOM 819 O TYR A 54 4.076 -0.666 7.657 1.00 0.00 O ATOM 820 CB TYR A 54 1.348 -1.242 7.133 1.00 0.00 C ATOM 821 CG TYR A 54 -0.027 -1.867 7.067 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.545 -2.329 5.864 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.808 -1.996 8.209 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.801 -2.900 5.799 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.065 -2.567 8.154 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.557 -3.017 6.946 1.00 0.00 C ATOM 827 OH TYR A 54 -3.809 -3.586 6.886 1.00 0.00 O ATOM 0 H TYR A 54 2.568 -3.134 8.596 1.00 0.00 H new ATOM 0 HA TYR A 54 2.295 -2.543 5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.530 -0.892 8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.371 -0.366 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.045 -2.240 4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.426 -1.644 9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.189 -3.253 4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.659 -2.661 9.051 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.208 -3.594 7.781 1.00 0.00 H new ATOM 837 N ASP A 55 4.650 -1.733 5.761 1.00 0.00 N ATOM 838 CA ASP A 55 5.960 -1.098 5.671 1.00 0.00 C ATOM 839 C ASP A 55 5.867 0.242 4.950 1.00 0.00 C ATOM 840 O ASP A 55 5.514 0.302 3.772 1.00 0.00 O ATOM 841 CB ASP A 55 6.946 -2.015 4.945 1.00 0.00 C ATOM 842 CG ASP A 55 6.991 -3.407 5.545 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.102 -4.221 5.221 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.916 -3.682 6.338 1.00 0.00 O ATOM 0 H ASP A 55 4.447 -2.389 5.007 1.00 0.00 H new ATOM 0 HA ASP A 55 6.320 -0.920 6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.667 -2.084 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.942 -1.574 4.982 1.00 0.00 H new ATOM 849 N VAL A 56 6.184 1.317 5.664 1.00 0.00 N ATOM 850 CA VAL A 56 6.136 2.657 5.092 1.00 0.00 C ATOM 851 C VAL A 56 7.500 3.074 4.553 1.00 0.00 C ATOM 852 O VAL A 56 8.398 3.432 5.314 1.00 0.00 O ATOM 853 CB VAL A 56 5.669 3.694 6.131 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.421 5.040 5.467 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.419 3.205 6.847 1.00 0.00 C ATOM 0 H VAL A 56 6.477 1.286 6.640 1.00 0.00 H new ATOM 0 HA VAL A 56 5.418 2.625 4.272 1.00 0.00 H new ATOM 0 HB VAL A 56 6.458 3.821 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.092 5.760 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.343 5.393 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.650 4.933 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.103 3.950 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.622 3.048 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.635 2.266 7.357 1.00 0.00 H new ATOM 865 N VAL A 57 7.648 3.025 3.232 1.00 0.00 N ATOM 866 CA VAL A 57 8.902 3.398 2.589 1.00 0.00 C ATOM 867 C VAL A 57 8.812 4.792 1.978 1.00 0.00 C ATOM 868 O VAL A 57 7.949 5.059 1.140 1.00 0.00 O ATOM 869 CB VAL A 57 9.291 2.392 1.490 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.556 2.842 0.777 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.469 1.001 2.081 1.00 0.00 C ATOM 0 H VAL A 57 6.915 2.731 2.587 1.00 0.00 H new ATOM 0 HA VAL A 57 9.669 3.392 3.364 1.00 0.00 H new ATOM 0 HB VAL A 57 8.485 2.351 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.815 2.118 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.389 3.817 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.373 2.913 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.744 0.302 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.256 1.024 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.535 0.679 2.541 1.00 0.00 H new ATOM 881 N CYS A 58 9.708 5.676 2.401 1.00 0.00 N ATOM 882 CA CYS A 58 9.730 7.044 1.895 1.00 0.00 C ATOM 883 C CYS A 58 10.986 7.298 1.069 1.00 0.00 C ATOM 884 O CYS A 58 12.015 7.715 1.599 1.00 0.00 O ATOM 885 CB CYS A 58 9.657 8.040 3.054 1.00 0.00 C ATOM 886 SG CYS A 58 9.906 9.762 2.563 1.00 0.00 S ATOM 0 H CYS A 58 10.429 5.470 3.093 1.00 0.00 H new ATOM 0 HA CYS A 58 8.861 7.181 1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.684 7.948 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.409 7.773 3.797 1.00 0.00 H new ATOM 0 HG CYS A 58 9.824 10.528 3.610 1.00 0.00 H new ATOM 892 N GLU A 59 10.895 7.042 -0.233 1.00 0.00 N ATOM 893 CA GLU A 59 12.026 7.240 -1.131 1.00 0.00 C ATOM 894 C GLU A 59 11.873 8.538 -1.919 1.00 0.00 C ATOM 895 O GLU A 59 10.878 9.248 -1.780 1.00 0.00 O ATOM 896 CB GLU A 59 12.154 6.058 -2.094 1.00 0.00 C ATOM 897 CG GLU A 59 12.556 4.760 -1.415 1.00 0.00 C ATOM 898 CD GLU A 59 12.542 3.577 -2.362 1.00 0.00 C ATOM 899 OE1 GLU A 59 12.822 3.776 -3.563 1.00 0.00 O ATOM 900 OE2 GLU A 59 12.251 2.452 -1.904 1.00 0.00 O ATOM 0 H GLU A 59 10.050 6.697 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 59 12.931 7.306 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.202 5.911 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.891 6.302 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.555 4.870 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.878 4.564 -0.585 1.00 0.00 H new ATOM 907 N GLY A 60 12.868 8.842 -2.748 1.00 0.00 N ATOM 908 CA GLY A 60 12.826 10.053 -3.545 1.00 0.00 C ATOM 909 C GLY A 60 11.426 10.386 -4.021 1.00 0.00 C ATOM 910 O GLY A 60 10.973 9.877 -5.047 1.00 0.00 O ATOM 0 H GLY A 60 13.702 8.270 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.214 10.885 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.482 9.939 -4.408 1.00 0.00 H new ATOM 914 N THR A 61 10.736 11.242 -3.273 1.00 0.00 N ATOM 915 CA THR A 61 9.378 11.640 -3.623 1.00 0.00 C ATOM 916 C THR A 61 8.547 10.438 -4.055 1.00 0.00 C ATOM 917 O THR A 61 7.837 10.491 -5.059 1.00 0.00 O ATOM 918 CB THR A 61 9.373 12.687 -4.753 1.00 0.00 C ATOM 919 OG1 THR A 61 9.775 12.079 -5.985 1.00 0.00 O ATOM 920 CG2 THR A 61 10.305 13.843 -4.424 1.00 0.00 C ATOM 0 H THR A 61 11.095 11.673 -2.421 1.00 0.00 H new ATOM 0 HA THR A 61 8.937 12.080 -2.729 1.00 0.00 H new ATOM 0 HB THR A 61 8.360 13.076 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.052 11.154 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.285 14.569 -5.236 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.979 14.322 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.320 13.467 -4.299 1.00 0.00 H new ATOM 928 N MET A 62 8.639 9.355 -3.291 1.00 0.00 N ATOM 929 CA MET A 62 7.893 8.139 -3.595 1.00 0.00 C ATOM 930 C MET A 62 7.465 7.429 -2.315 1.00 0.00 C ATOM 931 O MET A 62 8.294 6.873 -1.595 1.00 0.00 O ATOM 932 CB MET A 62 8.739 7.198 -4.455 1.00 0.00 C ATOM 933 CG MET A 62 7.944 6.056 -5.067 1.00 0.00 C ATOM 934 SD MET A 62 7.379 4.866 -3.836 1.00 0.00 S ATOM 935 CE MET A 62 8.940 4.329 -3.142 1.00 0.00 C ATOM 0 H MET A 62 9.223 9.294 -2.457 1.00 0.00 H new ATOM 0 HA MET A 62 6.998 8.421 -4.150 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.208 7.772 -5.254 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.542 6.785 -3.845 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.082 6.461 -5.597 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.561 5.544 -5.806 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.934 3.245 -3.029 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.753 4.620 -3.807 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.084 4.795 -2.167 1.00 0.00 H new ATOM 945 N ALA A 63 6.166 7.453 -2.036 1.00 0.00 N ATOM 946 CA ALA A 63 5.628 6.811 -0.844 1.00 0.00 C ATOM 947 C ALA A 63 5.054 5.437 -1.172 1.00 0.00 C ATOM 948 O ALA A 63 4.007 5.327 -1.810 1.00 0.00 O ATOM 949 CB ALA A 63 4.564 7.690 -0.204 1.00 0.00 C ATOM 0 H ALA A 63 5.466 7.911 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 63 6.445 6.675 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.171 7.197 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.003 8.648 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.754 7.856 -0.914 1.00 0.00 H new ATOM 955 N MET A 64 5.746 4.391 -0.733 1.00 0.00 N ATOM 956 CA MET A 64 5.304 3.023 -0.980 1.00 0.00 C ATOM 957 C MET A 64 4.807 2.371 0.306 1.00 0.00 C ATOM 958 O MET A 64 5.412 2.529 1.368 1.00 0.00 O ATOM 959 CB MET A 64 6.443 2.196 -1.578 1.00 0.00 C ATOM 960 CG MET A 64 5.973 0.938 -2.290 1.00 0.00 C ATOM 961 SD MET A 64 7.199 0.293 -3.443 1.00 0.00 S ATOM 962 CE MET A 64 8.560 -0.054 -2.332 1.00 0.00 C ATOM 0 H MET A 64 6.615 4.464 -0.204 1.00 0.00 H new ATOM 0 HA MET A 64 4.478 3.058 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.000 2.815 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.134 1.917 -0.783 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.738 0.173 -1.550 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.051 1.154 -2.830 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.342 -0.590 -2.871 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.962 0.883 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.206 -0.667 -1.503 1.00 0.00 H new ATOM 972 N LEU A 65 3.704 1.639 0.205 1.00 0.00 N ATOM 973 CA LEU A 65 3.126 0.963 1.362 1.00 0.00 C ATOM 974 C LEU A 65 3.007 -0.537 1.112 1.00 0.00 C ATOM 975 O LEU A 65 2.079 -0.995 0.445 1.00 0.00 O ATOM 976 CB LEU A 65 1.750 1.548 1.685 1.00 0.00 C ATOM 977 CG LEU A 65 0.963 0.843 2.790 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.514 1.214 4.158 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.516 1.190 2.696 1.00 0.00 C ATOM 0 H LEU A 65 3.191 1.498 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 65 3.789 1.120 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.879 2.593 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.150 1.536 0.775 1.00 0.00 H new ATOM 0 HG LEU A 65 1.072 -0.233 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.941 0.703 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.560 0.914 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.436 2.292 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.061 0.679 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.644 2.267 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.903 0.872 1.728 1.00 0.00 H new ATOM 991 N VAL A 66 3.952 -1.299 1.654 1.00 0.00 N ATOM 992 CA VAL A 66 3.951 -2.748 1.493 1.00 0.00 C ATOM 993 C VAL A 66 2.971 -3.408 2.457 1.00 0.00 C ATOM 994 O VAL A 66 2.925 -3.068 3.640 1.00 0.00 O ATOM 995 CB VAL A 66 5.355 -3.339 1.722 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.418 -4.775 1.224 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.411 -2.482 1.039 1.00 0.00 C ATOM 0 H VAL A 66 4.728 -0.937 2.208 1.00 0.00 H new ATOM 0 HA VAL A 66 3.641 -2.952 0.468 1.00 0.00 H new ATOM 0 HB VAL A 66 5.559 -3.342 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.417 -5.176 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.688 -5.379 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.194 -4.800 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.397 -2.914 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.213 -2.445 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.381 -1.472 1.448 1.00 0.00 H new ATOM 1007 N ILE A 67 2.190 -4.352 1.944 1.00 0.00 N ATOM 1008 CA ILE A 67 1.212 -5.061 2.760 1.00 0.00 C ATOM 1009 C ILE A 67 1.496 -6.559 2.781 1.00 0.00 C ATOM 1010 O ILE A 67 0.847 -7.334 2.079 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.222 -4.829 2.248 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.550 -3.334 2.246 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.220 -5.595 3.103 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.550 -2.937 1.183 1.00 0.00 C ATOM 0 H ILE A 67 2.215 -4.644 0.967 1.00 0.00 H new ATOM 0 HA ILE A 67 1.297 -4.663 3.771 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.291 -5.198 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.941 -3.055 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.370 -2.769 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.229 -5.421 2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.995 -6.661 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.152 -5.253 4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.735 -1.864 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.152 -3.185 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.484 -3.475 1.343 1.00 0.00 H new ATOM 1026 N ARG A 68 2.469 -6.960 3.593 1.00 0.00 N ATOM 1027 CA ARG A 68 2.839 -8.366 3.706 1.00 0.00 C ATOM 1028 C ARG A 68 1.598 -9.247 3.815 1.00 0.00 C ATOM 1029 O ARG A 68 0.663 -8.933 4.551 1.00 0.00 O ATOM 1030 CB ARG A 68 3.739 -8.581 4.924 1.00 0.00 C ATOM 1031 CG ARG A 68 5.160 -8.079 4.728 1.00 0.00 C ATOM 1032 CD ARG A 68 5.929 -8.953 3.748 1.00 0.00 C ATOM 1033 NE ARG A 68 7.372 -8.870 3.958 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.982 -9.315 5.050 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.279 -9.871 6.027 1.00 0.00 N ATOM 1036 NH2 ARG A 68 9.300 -9.205 5.167 1.00 0.00 N ATOM 0 H ARG A 68 3.015 -6.331 4.182 1.00 0.00 H new ATOM 0 HA ARG A 68 3.385 -8.647 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.299 -8.075 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.768 -9.645 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.137 -7.053 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.677 -8.064 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.606 -9.989 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.693 -8.649 2.728 1.00 0.00 H new ATOM 0 HE ARG A 68 7.942 -8.447 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.266 -9.958 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.751 -10.212 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.845 -8.778 4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.768 -9.547 6.006 1.00 0.00 H new ATOM 1050 N GLY A 69 1.596 -10.352 3.076 1.00 0.00 N ATOM 1051 CA GLY A 69 0.466 -11.261 3.103 1.00 0.00 C ATOM 1052 C GLY A 69 -0.864 -10.534 3.059 1.00 0.00 C ATOM 1053 O GLY A 69 -1.492 -10.313 4.093 1.00 0.00 O ATOM 0 H GLY A 69 2.358 -10.634 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.532 -11.943 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.514 -11.869 4.006 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.292 -10.161 1.858 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.556 -9.455 1.682 1.00 0.00 C ATOM 1059 C ALA A 70 -3.696 -10.430 1.410 1.00 0.00 C ATOM 1060 O ALA A 70 -3.864 -10.905 0.287 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.443 -8.443 0.552 1.00 0.00 C ATOM 0 H ALA A 70 -0.782 -10.336 0.992 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.779 -8.925 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.394 -7.924 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.662 -7.720 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.192 -8.959 -0.375 1.00 0.00 H new ATOM 1067 N SER A 71 -4.476 -10.725 2.445 1.00 0.00 N ATOM 1068 CA SER A 71 -5.599 -11.648 2.318 1.00 0.00 C ATOM 1069 C SER A 71 -6.852 -10.917 1.845 1.00 0.00 C ATOM 1070 O SER A 71 -6.837 -9.702 1.643 1.00 0.00 O ATOM 1071 CB SER A 71 -5.871 -12.340 3.654 1.00 0.00 C ATOM 1072 OG SER A 71 -4.737 -13.068 4.093 1.00 0.00 O ATOM 0 H SER A 71 -4.351 -10.339 3.381 1.00 0.00 H new ATOM 0 HA SER A 71 -5.337 -12.401 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.142 -11.596 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.722 -13.014 3.551 1.00 0.00 H new ATOM 0 HG SER A 71 -4.937 -13.499 4.950 1.00 0.00 H new ATOM 1078 N LEU A 72 -7.935 -11.666 1.671 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.199 -11.091 1.223 1.00 0.00 C ATOM 1080 C LEU A 72 -9.623 -9.937 2.125 1.00 0.00 C ATOM 1081 O LEU A 72 -10.202 -8.953 1.663 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.290 -12.163 1.200 1.00 0.00 C ATOM 1083 CG LEU A 72 -9.991 -13.407 0.363 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -10.954 -14.530 0.714 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.067 -13.082 -1.122 1.00 0.00 C ATOM 0 H LEU A 72 -7.964 -12.673 1.833 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.056 -10.705 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.484 -12.478 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.208 -11.710 0.826 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.978 -13.740 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.726 -15.407 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.851 -14.781 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.976 -14.208 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.851 -13.979 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.067 -12.724 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.337 -12.310 -1.363 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.328 -10.062 3.415 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.675 -9.028 4.383 1.00 0.00 C ATOM 1099 C LYS A 73 -8.856 -7.763 4.145 1.00 0.00 C ATOM 1100 O LYS A 73 -9.390 -6.654 4.165 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.445 -9.537 5.808 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.355 -10.689 6.197 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.262 -10.997 7.682 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.268 -12.060 8.095 1.00 0.00 C ATOM 1105 NZ LYS A 73 -12.671 -11.583 7.946 1.00 0.00 N ATOM 0 H LYS A 73 -8.849 -10.869 3.814 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.730 -8.786 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.407 -9.855 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.595 -8.714 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.385 -10.443 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.086 -11.576 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.254 -11.336 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.437 -10.087 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.122 -12.954 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.090 -12.346 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.309 -12.209 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.749 -10.614 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.936 -11.593 6.940 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.559 -7.938 3.920 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.667 -6.810 3.676 1.00 0.00 C ATOM 1121 C ASP A 74 -7.294 -5.824 2.695 1.00 0.00 C ATOM 1122 O ASP A 74 -7.104 -4.614 2.810 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.324 -7.302 3.135 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.457 -7.921 4.214 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.935 -8.848 4.901 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.300 -7.479 4.371 1.00 0.00 O ATOM 0 H ASP A 74 -7.102 -8.849 3.901 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.502 -6.297 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.499 -8.036 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.791 -6.467 2.679 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.041 -6.351 1.731 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.696 -5.517 0.731 1.00 0.00 C ATOM 1133 C ALA A 75 -9.472 -4.380 1.387 1.00 0.00 C ATOM 1134 O ALA A 75 -10.368 -4.613 2.196 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.622 -6.360 -0.134 1.00 0.00 C ATOM 0 H ALA A 75 -8.208 -7.351 1.621 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.925 -5.078 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.105 -5.725 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.044 -7.134 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.382 -6.826 0.493 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.120 -3.148 1.032 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.792 -1.992 1.597 1.00 0.00 C ATOM 1143 C GLY A 76 -9.529 -0.725 0.808 1.00 0.00 C ATOM 1144 O GLY A 76 -9.142 -0.782 -0.359 1.00 0.00 O ATOM 0 H GLY A 76 -8.381 -2.930 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.865 -2.180 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.462 -1.851 2.626 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.741 0.422 1.445 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.527 1.709 0.793 1.00 0.00 C ATOM 1150 C GLU A 77 -8.405 2.484 1.476 1.00 0.00 C ATOM 1151 O GLU A 77 -8.510 2.847 2.648 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.815 2.534 0.808 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.614 3.984 0.398 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.751 4.880 0.848 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.873 4.726 0.322 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -11.518 5.736 1.727 1.00 0.00 O ATOM 0 H GLU A 77 -10.061 0.487 2.411 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.238 1.520 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.540 2.073 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.244 2.505 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.678 4.351 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.518 4.041 -0.686 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.331 2.736 0.736 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.187 3.466 1.270 1.00 0.00 C ATOM 1165 C TYR A 78 -6.195 4.915 0.793 1.00 0.00 C ATOM 1166 O TYR A 78 -6.139 5.187 -0.407 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.882 2.786 0.853 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.697 1.411 1.454 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.233 0.285 0.841 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.984 1.237 2.634 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.067 -0.973 1.386 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.811 -0.018 3.186 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.355 -1.119 2.559 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.186 -2.371 3.105 1.00 0.00 O ATOM 0 H TYR A 78 -7.229 2.445 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.260 3.461 2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.855 2.705 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.043 3.417 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.789 0.396 -0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.558 2.097 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.492 -1.837 0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.253 -0.136 4.103 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.688 -2.297 3.946 1.00 0.00 H new ATOM 1184 N THR A 79 -6.264 5.843 1.742 1.00 0.00 N ATOM 1185 CA THR A 79 -6.279 7.265 1.420 1.00 0.00 C ATOM 1186 C THR A 79 -4.954 7.925 1.784 1.00 0.00 C ATOM 1187 O THR A 79 -4.669 8.160 2.959 1.00 0.00 O ATOM 1188 CB THR A 79 -7.421 7.994 2.153 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.685 7.587 1.617 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.271 9.502 2.023 1.00 0.00 C ATOM 0 H THR A 79 -6.310 5.636 2.740 1.00 0.00 H new ATOM 0 HA THR A 79 -6.438 7.344 0.345 1.00 0.00 H new ATOM 0 HB THR A 79 -7.373 7.730 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.857 8.070 0.782 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.089 9.996 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.321 9.812 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.296 9.781 0.970 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.148 8.221 0.771 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.852 8.855 0.984 1.00 0.00 C ATOM 1200 C CYS A 80 -3.006 10.361 1.166 1.00 0.00 C ATOM 1201 O CYS A 80 -3.064 11.110 0.192 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.918 8.564 -0.192 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.171 8.865 0.161 1.00 0.00 S ATOM 0 H CYS A 80 -4.369 8.032 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.418 8.440 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.043 7.524 -0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.217 9.179 -1.041 1.00 0.00 H new ATOM 0 HG CYS A 80 0.539 8.589 -0.893 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.074 10.797 2.420 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.224 12.214 2.729 1.00 0.00 C ATOM 1211 C GLU A 81 -1.864 12.874 2.932 1.00 0.00 C ATOM 1212 O GLU A 81 -1.065 12.435 3.759 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.085 12.398 3.980 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.829 13.722 4.018 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.085 14.208 5.432 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.453 13.377 6.288 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.915 15.420 5.682 1.00 0.00 O ATOM 0 H GLU A 81 -3.028 10.189 3.238 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.718 12.693 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.807 11.583 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.450 12.323 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.253 14.474 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.780 13.615 3.497 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.606 13.933 2.170 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.343 14.655 2.266 1.00 0.00 C ATOM 1226 C VAL A 82 -0.520 15.976 3.006 1.00 0.00 C ATOM 1227 O VAL A 82 -1.600 16.273 3.517 1.00 0.00 O ATOM 1228 CB VAL A 82 0.251 14.935 0.873 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.308 16.230 0.304 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.770 14.985 0.942 1.00 0.00 C ATOM 0 H VAL A 82 -2.255 14.310 1.479 1.00 0.00 H new ATOM 0 HA VAL A 82 0.344 14.018 2.824 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.033 14.121 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.123 16.411 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.392 16.151 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.057 17.057 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.173 15.184 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.077 15.778 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.149 14.029 1.303 1.00 0.00 H new ATOM 1240 N GLU A 83 0.547 16.767 3.058 1.00 0.00 N ATOM 1241 CA GLU A 83 0.509 18.057 3.736 1.00 0.00 C ATOM 1242 C GLU A 83 -0.895 18.653 3.693 1.00 0.00 C ATOM 1243 O GLU A 83 -1.583 18.722 4.712 1.00 0.00 O ATOM 1244 CB GLU A 83 1.505 19.026 3.093 1.00 0.00 C ATOM 1245 CG GLU A 83 2.622 18.333 2.331 1.00 0.00 C ATOM 1246 CD GLU A 83 3.440 17.407 3.209 1.00 0.00 C ATOM 1247 OE1 GLU A 83 2.882 16.397 3.688 1.00 0.00 O ATOM 1248 OE2 GLU A 83 4.638 17.691 3.417 1.00 0.00 O ATOM 0 H GLU A 83 1.448 16.537 2.639 1.00 0.00 H new ATOM 0 HA GLU A 83 0.787 17.899 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.968 19.687 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.941 19.654 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.195 17.762 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.278 19.085 1.892 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.314 19.082 2.507 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.636 19.670 2.331 1.00 0.00 C ATOM 1257 C ALA A 84 -3.486 18.835 1.380 1.00 0.00 C ATOM 1258 O ALA A 84 -4.712 18.812 1.485 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.515 21.097 1.819 1.00 0.00 C ATOM 0 H ALA A 84 -0.757 19.033 1.654 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.132 19.685 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.510 21.524 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.953 21.695 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.995 21.097 0.861 1.00 0.00 H new ATOM 1265 N SER A 85 -2.827 18.150 0.451 1.00 0.00 N ATOM 1266 CA SER A 85 -3.523 17.317 -0.523 1.00 0.00 C ATOM 1267 C SER A 85 -3.765 15.917 0.035 1.00 0.00 C ATOM 1268 O SER A 85 -3.368 15.606 1.157 1.00 0.00 O ATOM 1269 CB SER A 85 -2.716 17.229 -1.820 1.00 0.00 C ATOM 1270 OG SER A 85 -3.538 16.839 -2.906 1.00 0.00 O ATOM 0 H SER A 85 -1.812 18.155 0.352 1.00 0.00 H new ATOM 0 HA SER A 85 -4.488 17.777 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.259 18.195 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.904 16.512 -1.699 1.00 0.00 H new ATOM 0 HG SER A 85 -2.999 16.792 -3.723 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.421 15.077 -0.759 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.717 13.710 -0.348 1.00 0.00 C ATOM 1278 C LYS A 86 -5.373 12.930 -1.483 1.00 0.00 C ATOM 1279 O LYS A 86 -6.115 13.494 -2.287 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.631 13.710 0.880 1.00 0.00 C ATOM 1281 CG LYS A 86 -7.070 14.081 0.566 1.00 0.00 C ATOM 1282 CD LYS A 86 -8.043 13.379 1.498 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.295 14.194 2.758 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.385 15.189 2.565 1.00 0.00 N ATOM 0 H LYS A 86 -4.758 15.319 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.776 13.223 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.611 12.721 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.236 14.410 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.196 15.160 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.298 13.816 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.986 13.208 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.647 12.401 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.555 13.524 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.379 14.710 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.526 15.724 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.126 15.844 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.265 14.695 2.315 1.00 0.00 H new ATOM 1298 N SER A 87 -5.096 11.632 -1.541 1.00 0.00 N ATOM 1299 CA SER A 87 -5.658 10.776 -2.579 1.00 0.00 C ATOM 1300 C SER A 87 -6.385 9.583 -1.965 1.00 0.00 C ATOM 1301 O SER A 87 -6.278 9.325 -0.765 1.00 0.00 O ATOM 1302 CB SER A 87 -4.554 10.286 -3.519 1.00 0.00 C ATOM 1303 OG SER A 87 -5.101 9.627 -4.648 1.00 0.00 O ATOM 0 H SER A 87 -4.486 11.150 -0.881 1.00 0.00 H new ATOM 0 HA SER A 87 -6.377 11.363 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.948 11.131 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.891 9.607 -2.983 1.00 0.00 H new ATOM 0 HG SER A 87 -4.416 9.059 -5.059 1.00 0.00 H new ATOM 1309 N THR A 88 -7.125 8.856 -2.797 1.00 0.00 N ATOM 1310 CA THR A 88 -7.871 7.692 -2.338 1.00 0.00 C ATOM 1311 C THR A 88 -7.867 6.587 -3.388 1.00 0.00 C ATOM 1312 O THR A 88 -7.938 6.857 -4.587 1.00 0.00 O ATOM 1313 CB THR A 88 -9.328 8.056 -1.998 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.357 9.078 -0.996 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.091 6.835 -1.507 1.00 0.00 C ATOM 0 H THR A 88 -7.223 9.054 -3.793 1.00 0.00 H new ATOM 0 HA THR A 88 -7.374 7.334 -1.436 1.00 0.00 H new ATOM 0 HB THR A 88 -9.808 8.424 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.287 9.305 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.118 7.117 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.093 6.070 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.610 6.441 -0.612 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.783 5.342 -2.931 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.772 4.196 -3.832 1.00 0.00 C ATOM 1325 C ALA A 89 -8.503 3.008 -3.217 1.00 0.00 C ATOM 1326 O ALA A 89 -9.035 3.098 -2.111 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.342 3.814 -4.184 1.00 0.00 C ATOM 0 H ALA A 89 -7.722 5.101 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.296 4.478 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.350 2.957 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.851 4.655 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.800 3.556 -3.274 1.00 0.00 H new ATOM 1333 N SER A 90 -8.526 1.893 -3.942 1.00 0.00 N ATOM 1334 CA SER A 90 -9.196 0.688 -3.469 1.00 0.00 C ATOM 1335 C SER A 90 -8.408 -0.559 -3.856 1.00 0.00 C ATOM 1336 O SER A 90 -8.028 -0.733 -5.015 1.00 0.00 O ATOM 1337 CB SER A 90 -10.613 0.608 -4.042 1.00 0.00 C ATOM 1338 OG SER A 90 -11.419 -0.281 -3.288 1.00 0.00 O ATOM 0 H SER A 90 -8.088 1.800 -4.859 1.00 0.00 H new ATOM 0 HA SER A 90 -9.254 0.737 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.064 1.600 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.571 0.275 -5.079 1.00 0.00 H new ATOM 0 HG SER A 90 -12.319 -0.313 -3.673 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.164 -1.425 -2.878 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.420 -2.657 -3.114 1.00 0.00 C ATOM 1346 C LEU A 91 -8.368 -3.828 -3.354 1.00 0.00 C ATOM 1347 O LEU A 91 -9.428 -3.920 -2.733 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.507 -2.961 -1.925 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.110 -4.426 -1.741 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.122 -4.851 -2.816 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.522 -4.649 -0.355 1.00 0.00 C ATOM 0 H LEU A 91 -8.471 -1.296 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.810 -2.518 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.598 -2.369 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.004 -2.623 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.006 -5.040 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.851 -5.896 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.579 -4.730 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.227 -4.232 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.245 -5.697 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.637 -4.024 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.262 -4.385 0.401 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.979 -4.723 -4.256 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.793 -5.890 -4.576 1.00 0.00 C ATOM 1365 C HIS A 92 -8.004 -7.178 -4.362 1.00 0.00 C ATOM 1366 O HIS A 92 -6.812 -7.246 -4.665 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.286 -5.815 -6.021 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.963 -4.521 -6.356 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.148 -4.120 -5.776 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.615 -3.536 -7.216 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.499 -2.945 -6.266 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.585 -2.568 -7.141 1.00 0.00 N ATOM 0 H HIS A 92 -7.105 -4.663 -4.778 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.653 -5.896 -3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.440 -5.958 -6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.979 -6.636 -6.203 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -11.671 -4.648 -5.078 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.737 -3.515 -7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.384 -2.387 -5.997 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.675 -8.198 -3.837 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.037 -9.484 -3.583 1.00 0.00 C ATOM 1383 C VAL A 93 -8.986 -10.639 -3.885 1.00 0.00 C ATOM 1384 O VAL A 93 -10.080 -10.717 -3.326 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.559 -9.595 -2.123 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.072 -11.005 -1.826 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.467 -8.574 -1.841 1.00 0.00 C ATOM 0 H VAL A 93 -9.661 -8.159 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.174 -9.545 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.402 -9.382 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.738 -11.064 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.886 -11.712 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.242 -11.251 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.141 -8.667 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.621 -8.753 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.855 -7.570 -2.011 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.560 -11.532 -4.772 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.373 -12.683 -5.148 1.00 0.00 C ATOM 1399 C GLU A 94 -8.515 -13.938 -5.273 1.00 0.00 C ATOM 1400 O GLU A 94 -7.430 -13.905 -5.853 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.098 -12.413 -6.468 1.00 0.00 C ATOM 1402 CG GLU A 94 -10.680 -11.014 -6.568 1.00 0.00 C ATOM 1403 CD GLU A 94 -9.703 -10.016 -7.158 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -9.663 -9.888 -8.399 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -8.978 -9.363 -6.378 1.00 0.00 O ATOM 0 H GLU A 94 -7.657 -11.481 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.111 -12.846 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.402 -12.568 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.901 -13.141 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.580 -11.042 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.982 -10.678 -5.576 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.009 -15.043 -4.723 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.287 -16.309 -4.772 1.00 0.00 C ATOM 1414 C GLU A 95 -8.357 -16.922 -6.168 1.00 0.00 C ATOM 1415 O GLU A 95 -9.169 -16.512 -6.998 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.857 -17.287 -3.743 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.872 -18.360 -3.312 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.158 -18.889 -1.920 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.348 -19.034 -1.572 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.190 -19.159 -1.178 1.00 0.00 O ATOM 0 H GLU A 95 -9.906 -15.087 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.242 -16.111 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.181 -16.729 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.743 -17.766 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.904 -19.185 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.861 -17.953 -3.341 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.501 -17.906 -6.419 1.00 0.00 N ATOM 1428 CA LYS A 96 -7.465 -18.578 -7.713 1.00 0.00 C ATOM 1429 C LYS A 96 -8.815 -19.209 -8.036 1.00 0.00 C ATOM 1430 O LYS A 96 -9.669 -19.353 -7.161 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.373 -19.650 -7.723 1.00 0.00 C ATOM 1432 CG LYS A 96 -6.489 -20.648 -6.584 1.00 0.00 C ATOM 1433 CD LYS A 96 -7.369 -21.827 -6.962 1.00 0.00 C ATOM 1434 CE LYS A 96 -7.589 -22.760 -5.781 1.00 0.00 C ATOM 1435 NZ LYS A 96 -6.385 -23.587 -5.496 1.00 0.00 N ATOM 0 H LYS A 96 -6.822 -18.256 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.241 -17.832 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.412 -20.187 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.399 -19.164 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.497 -21.007 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.902 -20.152 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.331 -21.463 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.908 -22.378 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.844 -22.174 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.437 -23.413 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.575 -24.209 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.156 -24.165 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.581 -22.965 -5.274 1.00 0.00 H new ATOM 1449 N ALA A 97 -9.001 -19.586 -9.297 1.00 0.00 N ATOM 1450 CA ALA A 97 -10.246 -20.205 -9.734 1.00 0.00 C ATOM 1451 C ALA A 97 -10.302 -21.673 -9.325 1.00 0.00 C ATOM 1452 O ALA A 97 -9.475 -22.479 -9.753 1.00 0.00 O ATOM 1453 CB ALA A 97 -10.402 -20.069 -11.241 1.00 0.00 C ATOM 0 H ALA A 97 -8.305 -19.473 -10.034 1.00 0.00 H new ATOM 0 HA ALA A 97 -11.072 -19.687 -9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.336 -20.536 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.415 -19.013 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.566 -20.561 -11.739 1.00 0.00 H new ATOM 1459 N SER A 98 -11.281 -22.014 -8.493 1.00 0.00 N ATOM 1460 CA SER A 98 -11.442 -23.385 -8.023 1.00 0.00 C ATOM 1461 C SER A 98 -12.689 -24.023 -8.626 1.00 0.00 C ATOM 1462 O SER A 98 -13.814 -23.664 -8.281 1.00 0.00 O ATOM 1463 CB SER A 98 -11.528 -23.415 -6.495 1.00 0.00 C ATOM 1464 OG SER A 98 -11.977 -24.678 -6.035 1.00 0.00 O ATOM 0 H SER A 98 -11.975 -21.360 -8.131 1.00 0.00 H new ATOM 0 HA SER A 98 -10.571 -23.958 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.549 -23.196 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.208 -22.636 -6.150 1.00 0.00 H new ATOM 0 HG SER A 98 -12.022 -24.672 -5.056 1.00 0.00 H new ATOM 1470 N GLY A 99 -12.480 -24.975 -9.532 1.00 0.00 N ATOM 1471 CA GLY A 99 -13.595 -25.649 -10.170 1.00 0.00 C ATOM 1472 C GLY A 99 -13.148 -26.609 -11.254 1.00 0.00 C ATOM 1473 O GLY A 99 -11.980 -26.641 -11.642 1.00 0.00 O ATOM 0 H GLY A 99 -11.558 -25.291 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.164 -26.195 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.266 -24.906 -10.601 1.00 0.00 H new ATOM 1477 N PRO A 100 -14.092 -27.417 -11.761 1.00 0.00 N ATOM 1478 CA PRO A 100 -13.812 -28.398 -12.814 1.00 0.00 C ATOM 1479 C PRO A 100 -13.516 -27.739 -14.157 1.00 0.00 C ATOM 1480 O PRO A 100 -13.012 -28.383 -15.077 1.00 0.00 O ATOM 1481 CB PRO A 100 -15.106 -29.213 -12.891 1.00 0.00 C ATOM 1482 CG PRO A 100 -16.164 -28.292 -12.389 1.00 0.00 C ATOM 1483 CD PRO A 100 -15.505 -27.433 -11.346 1.00 0.00 C ATOM 0 HA PRO A 100 -12.928 -28.995 -12.591 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.312 -29.533 -13.912 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.043 -30.114 -12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -16.567 -27.683 -13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.998 -28.851 -11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -15.929 -26.429 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.626 -27.851 -10.346 1.00 0.00 H new ATOM 1491 N SER A 101 -13.831 -26.452 -14.262 1.00 0.00 N ATOM 1492 CA SER A 101 -13.601 -25.707 -15.494 1.00 0.00 C ATOM 1493 C SER A 101 -12.129 -25.756 -15.892 1.00 0.00 C ATOM 1494 O SER A 101 -11.261 -26.040 -15.067 1.00 0.00 O ATOM 1495 CB SER A 101 -14.049 -24.254 -15.327 1.00 0.00 C ATOM 1496 OG SER A 101 -15.462 -24.155 -15.302 1.00 0.00 O ATOM 0 H SER A 101 -14.246 -25.904 -13.509 1.00 0.00 H new ATOM 0 HA SER A 101 -14.188 -26.172 -16.286 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.637 -23.847 -14.404 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.654 -23.652 -16.145 1.00 0.00 H new ATOM 0 HG SER A 101 -15.722 -23.217 -15.193 1.00 0.00 H new ATOM 1502 N SER A 102 -11.856 -25.475 -17.162 1.00 0.00 N ATOM 1503 CA SER A 102 -10.490 -25.490 -17.671 1.00 0.00 C ATOM 1504 C SER A 102 -10.407 -24.788 -19.023 1.00 0.00 C ATOM 1505 O SER A 102 -11.150 -25.109 -19.949 1.00 0.00 O ATOM 1506 CB SER A 102 -9.987 -26.929 -17.800 1.00 0.00 C ATOM 1507 OG SER A 102 -10.589 -27.584 -18.903 1.00 0.00 O ATOM 0 H SER A 102 -12.563 -25.234 -17.857 1.00 0.00 H new ATOM 0 HA SER A 102 -9.859 -24.954 -16.963 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.904 -26.929 -17.920 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.206 -27.477 -16.884 1.00 0.00 H new ATOM 0 HG SER A 102 -10.903 -26.917 -19.548 1.00 0.00 H new ATOM 1513 N GLY A 103 -9.495 -23.826 -19.128 1.00 0.00 N ATOM 1514 CA GLY A 103 -9.330 -23.092 -20.370 1.00 0.00 C ATOM 1515 C GLY A 103 -8.073 -22.246 -20.380 1.00 0.00 C ATOM 1516 O GLY A 103 -7.897 -21.395 -21.253 1.00 0.00 O ATOM 0 H GLY A 103 -8.868 -23.542 -18.376 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.298 -23.795 -21.202 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.197 -22.451 -20.528 1.00 0.00 H new TER 1520 GLY A 103