USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 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 16 THR OG1 : rot -95:sc= -3.63! USER MOD Set 1.2: A 19 ASN : amide:sc= -4.75! C(o=-8.4!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 3 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-3.8!) USER MOD Single : A 4 MET CE :methyl 171:sc= -0.0271 (180deg=-0.104) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.463 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.25 K(o=0.25,f=-4.2!) USER MOD Single : A 26 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.1!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 29 LYS NZ :NH3+ -96:sc= 0.148! (180deg=-1.59!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -3.75! (180deg=-4.84!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0.713 (180deg=0.592) USER MOD Single : A 45 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.16) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 146:sc= 0.257 USER MOD Single : A 57 ASN : amide:sc= 0.0456 K(o=0.046,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -95:sc= -1.9! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 112:sc= -0.861! USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.504) USER MOD Single : A 85 ASN : amide:sc= -0.737 K(o=-0.74,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.172) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0854) USER MOD Single : A 98 THR OG1 : rot -132:sc= -0.524 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 69.593 4.333 26.290 1.00 0.00 N ATOM 2 CA GLY A 1 68.617 3.235 26.039 1.00 0.00 C ATOM 3 C GLY A 1 67.808 3.548 24.779 1.00 0.00 C ATOM 4 O GLY A 1 67.006 4.460 24.755 1.00 0.00 O ATOM 0 H1 GLY A 1 70.143 4.120 27.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 70.237 4.418 25.478 1.00 0.00 H new ATOM 0 H3 GLY A 1 69.081 5.229 26.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 69.142 2.287 25.920 1.00 0.00 H new ATOM 0 HA3 GLY A 1 67.950 3.125 26.894 1.00 0.00 H new ATOM 10 N SER A 2 68.012 2.798 23.731 1.00 0.00 N ATOM 11 CA SER A 2 67.253 3.053 22.473 1.00 0.00 C ATOM 12 C SER A 2 66.369 1.849 22.136 1.00 0.00 C ATOM 13 O SER A 2 66.848 0.751 21.938 1.00 0.00 O ATOM 14 CB SER A 2 68.322 3.250 21.398 1.00 0.00 C ATOM 15 OG SER A 2 69.460 2.459 21.718 1.00 0.00 O ATOM 0 H SER A 2 68.671 2.020 23.691 1.00 0.00 H new ATOM 0 HA SER A 2 66.595 3.918 22.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 67.930 2.965 20.422 1.00 0.00 H new ATOM 0 HB3 SER A 2 68.602 4.302 21.335 1.00 0.00 H new ATOM 0 HG SER A 2 70.147 2.581 21.030 1.00 0.00 H new ATOM 21 N HIS A 3 65.081 2.048 22.069 1.00 0.00 N ATOM 22 CA HIS A 3 64.168 0.914 21.746 1.00 0.00 C ATOM 23 C HIS A 3 63.234 1.298 20.595 1.00 0.00 C ATOM 24 O HIS A 3 62.132 0.798 20.484 1.00 0.00 O ATOM 25 CB HIS A 3 63.369 0.671 23.027 1.00 0.00 C ATOM 26 CG HIS A 3 62.505 -0.547 22.856 1.00 0.00 C ATOM 27 ND1 HIS A 3 62.557 -1.336 21.717 1.00 0.00 N ATOM 28 CD2 HIS A 3 61.562 -1.125 23.669 1.00 0.00 C ATOM 29 CE1 HIS A 3 61.670 -2.337 21.875 1.00 0.00 C ATOM 30 NE2 HIS A 3 61.036 -2.254 23.049 1.00 0.00 N ATOM 0 H HIS A 3 64.621 2.945 22.224 1.00 0.00 H new ATOM 0 HA HIS A 3 64.711 0.024 21.430 1.00 0.00 H new ATOM 0 HB2 HIS A 3 64.046 0.534 23.870 1.00 0.00 H new ATOM 0 HB3 HIS A 3 62.751 1.540 23.253 1.00 0.00 H new ATOM 0 HD2 HIS A 3 61.272 -0.759 24.643 1.00 0.00 H new ATOM 0 HE1 HIS A 3 61.493 -3.111 21.143 1.00 0.00 H new ATOM 0 HE2 HIS A 3 60.320 -2.883 23.412 1.00 0.00 H new ATOM 38 N MET A 4 63.665 2.181 19.736 1.00 0.00 N ATOM 39 CA MET A 4 62.800 2.595 18.594 1.00 0.00 C ATOM 40 C MET A 4 62.811 1.516 17.507 1.00 0.00 C ATOM 41 O MET A 4 61.836 0.821 17.300 1.00 0.00 O ATOM 42 CB MET A 4 63.425 3.889 18.073 1.00 0.00 C ATOM 43 CG MET A 4 62.593 5.083 18.545 1.00 0.00 C ATOM 44 SD MET A 4 63.657 6.541 18.686 1.00 0.00 S ATOM 45 CE MET A 4 63.415 7.162 17.003 1.00 0.00 C ATOM 0 H MET A 4 64.578 2.634 19.775 1.00 0.00 H new ATOM 0 HA MET A 4 61.761 2.736 18.891 1.00 0.00 H new ATOM 0 HB2 MET A 4 64.450 3.981 18.433 1.00 0.00 H new ATOM 0 HB3 MET A 4 63.470 3.871 16.984 1.00 0.00 H new ATOM 0 HG2 MET A 4 61.784 5.277 17.841 1.00 0.00 H new ATOM 0 HG3 MET A 4 62.132 4.861 19.508 1.00 0.00 H new ATOM 0 HE1 MET A 4 63.859 8.153 16.914 1.00 0.00 H new ATOM 0 HE2 MET A 4 63.892 6.486 16.294 1.00 0.00 H new ATOM 0 HE3 MET A 4 62.348 7.221 16.787 1.00 0.00 H new ATOM 55 N LEU A 5 63.905 1.373 16.811 1.00 0.00 N ATOM 56 CA LEU A 5 63.976 0.339 15.738 1.00 0.00 C ATOM 57 C LEU A 5 62.736 0.419 14.843 1.00 0.00 C ATOM 58 O LEU A 5 62.228 -0.584 14.381 1.00 0.00 O ATOM 59 CB LEU A 5 64.019 -0.998 16.479 1.00 0.00 C ATOM 60 CG LEU A 5 65.473 -1.429 16.673 1.00 0.00 C ATOM 61 CD1 LEU A 5 65.517 -2.733 17.471 1.00 0.00 C ATOM 62 CD2 LEU A 5 66.125 -1.646 15.305 1.00 0.00 C ATOM 0 H LEU A 5 64.752 1.926 16.938 1.00 0.00 H new ATOM 0 HA LEU A 5 64.843 0.474 15.091 1.00 0.00 H new ATOM 0 HB2 LEU A 5 63.524 -0.906 17.446 1.00 0.00 H new ATOM 0 HB3 LEU A 5 63.476 -1.756 15.914 1.00 0.00 H new ATOM 0 HG LEU A 5 66.013 -0.653 17.216 1.00 0.00 H new ATOM 0 HD11 LEU A 5 66.554 -3.040 17.609 1.00 0.00 H new ATOM 0 HD12 LEU A 5 65.051 -2.580 18.444 1.00 0.00 H new ATOM 0 HD13 LEU A 5 64.978 -3.510 16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 5 67.162 -1.953 15.441 1.00 0.00 H new ATOM 0 HD22 LEU A 5 65.584 -2.422 14.763 1.00 0.00 H new ATOM 0 HD23 LEU A 5 66.094 -0.717 14.736 1.00 0.00 H new ATOM 74 N GLU A 6 62.247 1.602 14.594 1.00 0.00 N ATOM 75 CA GLU A 6 61.040 1.743 13.729 1.00 0.00 C ATOM 76 C GLU A 6 61.017 3.127 13.074 1.00 0.00 C ATOM 77 O GLU A 6 59.991 3.593 12.621 1.00 0.00 O ATOM 78 CB GLU A 6 59.851 1.578 14.676 1.00 0.00 C ATOM 79 CG GLU A 6 59.929 2.633 15.782 1.00 0.00 C ATOM 80 CD GLU A 6 58.641 2.603 16.607 1.00 0.00 C ATOM 81 OE1 GLU A 6 57.624 3.044 16.097 1.00 0.00 O ATOM 82 OE2 GLU A 6 58.692 2.139 17.734 1.00 0.00 O ATOM 0 H GLU A 6 62.630 2.477 14.951 1.00 0.00 H new ATOM 0 HA GLU A 6 61.023 1.010 12.923 1.00 0.00 H new ATOM 0 HB2 GLU A 6 58.916 1.682 14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 6 59.855 0.579 15.111 1.00 0.00 H new ATOM 0 HG2 GLU A 6 60.789 2.440 16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 6 60.072 3.622 15.347 1.00 0.00 H new ATOM 89 N ASP A 7 62.142 3.787 13.020 1.00 0.00 N ATOM 90 CA ASP A 7 62.183 5.140 12.395 1.00 0.00 C ATOM 91 C ASP A 7 62.644 5.035 10.937 1.00 0.00 C ATOM 92 O ASP A 7 63.745 4.600 10.665 1.00 0.00 O ATOM 93 CB ASP A 7 63.200 5.927 13.222 1.00 0.00 C ATOM 94 CG ASP A 7 63.046 7.422 12.934 1.00 0.00 C ATOM 95 OD1 ASP A 7 62.035 7.793 12.362 1.00 0.00 O ATOM 96 OD2 ASP A 7 63.942 8.168 13.290 1.00 0.00 O ATOM 0 H ASP A 7 63.034 3.448 13.381 1.00 0.00 H new ATOM 0 HA ASP A 7 61.205 5.621 12.386 1.00 0.00 H new ATOM 0 HB2 ASP A 7 63.049 5.733 14.284 1.00 0.00 H new ATOM 0 HB3 ASP A 7 64.212 5.602 12.979 1.00 0.00 H new ATOM 101 N PRO A 8 61.780 5.440 10.045 1.00 0.00 N ATOM 102 CA PRO A 8 62.101 5.392 8.600 1.00 0.00 C ATOM 103 C PRO A 8 63.124 6.465 8.248 1.00 0.00 C ATOM 104 O PRO A 8 62.797 7.517 7.733 1.00 0.00 O ATOM 105 CB PRO A 8 60.769 5.667 7.923 1.00 0.00 C ATOM 106 CG PRO A 8 59.971 6.426 8.933 1.00 0.00 C ATOM 107 CD PRO A 8 60.440 5.975 10.292 1.00 0.00 C ATOM 0 HA PRO A 8 62.538 4.442 8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 8 60.903 6.246 7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 8 60.270 4.739 7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 8 60.116 7.500 8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 8 58.906 6.232 8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 8 60.465 6.803 11.001 1.00 0.00 H new ATOM 0 HD3 PRO A 8 59.779 5.217 10.711 1.00 0.00 H new ATOM 115 N VAL A 9 64.358 6.195 8.525 1.00 0.00 N ATOM 116 CA VAL A 9 65.433 7.181 8.219 1.00 0.00 C ATOM 117 C VAL A 9 66.433 6.585 7.225 1.00 0.00 C ATOM 118 O VAL A 9 67.632 6.691 7.396 1.00 0.00 O ATOM 119 CB VAL A 9 66.111 7.458 9.561 1.00 0.00 C ATOM 120 CG1 VAL A 9 66.564 6.137 10.185 1.00 0.00 C ATOM 121 CG2 VAL A 9 67.327 8.361 9.341 1.00 0.00 C ATOM 0 H VAL A 9 64.679 5.327 8.954 1.00 0.00 H new ATOM 0 HA VAL A 9 65.040 8.091 7.765 1.00 0.00 H new ATOM 0 HB VAL A 9 65.406 7.953 10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 9 67.048 6.334 11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.699 5.493 10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 9 67.269 5.642 9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 9 67.811 8.559 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 9 68.032 7.866 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 9 67.005 9.302 8.895 1.00 0.00 H new ATOM 131 N GLU A 10 65.950 5.962 6.185 1.00 0.00 N ATOM 132 CA GLU A 10 66.876 5.362 5.180 1.00 0.00 C ATOM 133 C GLU A 10 66.714 6.060 3.830 1.00 0.00 C ATOM 134 O GLU A 10 65.777 5.807 3.099 1.00 0.00 O ATOM 135 CB GLU A 10 66.455 3.896 5.076 1.00 0.00 C ATOM 136 CG GLU A 10 64.993 3.814 4.635 1.00 0.00 C ATOM 137 CD GLU A 10 64.197 2.998 5.654 1.00 0.00 C ATOM 138 OE1 GLU A 10 64.352 3.250 6.838 1.00 0.00 O ATOM 139 OE2 GLU A 10 63.445 2.134 5.234 1.00 0.00 O ATOM 0 H GLU A 10 64.957 5.842 5.987 1.00 0.00 H new ATOM 0 HA GLU A 10 67.921 5.467 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 10 67.091 3.374 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 10 66.584 3.401 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 10 64.572 4.816 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 64.925 3.352 3.650 1.00 0.00 H new ATOM 146 N GLY A 11 67.620 6.935 3.490 1.00 0.00 N ATOM 147 CA GLY A 11 67.514 7.646 2.185 1.00 0.00 C ATOM 148 C GLY A 11 67.148 6.643 1.089 1.00 0.00 C ATOM 149 O GLY A 11 66.097 6.725 0.485 1.00 0.00 O ATOM 0 H GLY A 11 68.428 7.188 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 11 66.757 8.428 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 11 68.459 8.134 1.946 1.00 0.00 H new ATOM 153 N SER A 12 68.015 5.701 0.820 1.00 0.00 N ATOM 154 CA SER A 12 67.733 4.696 -0.239 1.00 0.00 C ATOM 155 C SER A 12 67.839 5.363 -1.603 1.00 0.00 C ATOM 156 O SER A 12 66.991 6.145 -1.980 1.00 0.00 O ATOM 157 CB SER A 12 66.306 4.211 0.018 1.00 0.00 C ATOM 158 OG SER A 12 66.246 2.804 -0.175 1.00 0.00 O ATOM 0 H SER A 12 68.911 5.587 1.294 1.00 0.00 H new ATOM 0 HA SER A 12 68.437 3.864 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 12 66.001 4.464 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 12 65.612 4.712 -0.657 1.00 0.00 H new ATOM 0 HG SER A 12 65.333 2.490 -0.009 1.00 0.00 H new ATOM 164 N GLU A 13 68.886 5.069 -2.333 1.00 0.00 N ATOM 165 CA GLU A 13 69.092 5.671 -3.670 1.00 0.00 C ATOM 166 C GLU A 13 69.626 7.078 -3.535 1.00 0.00 C ATOM 167 O GLU A 13 69.076 7.923 -2.858 1.00 0.00 O ATOM 168 CB GLU A 13 67.744 5.675 -4.348 1.00 0.00 C ATOM 169 CG GLU A 13 67.924 5.824 -5.860 1.00 0.00 C ATOM 170 CD GLU A 13 66.559 6.037 -6.519 1.00 0.00 C ATOM 171 OE1 GLU A 13 65.638 5.313 -6.176 1.00 0.00 O ATOM 172 OE2 GLU A 13 66.458 6.920 -7.355 1.00 0.00 O ATOM 0 H GLU A 13 69.619 4.421 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 13 69.820 5.106 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 13 67.212 4.750 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 13 67.135 6.493 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 13 68.580 6.667 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.402 4.934 -6.269 1.00 0.00 H new ATOM 179 N SER A 14 70.693 7.309 -4.207 1.00 0.00 N ATOM 180 CA SER A 14 71.345 8.641 -4.202 1.00 0.00 C ATOM 181 C SER A 14 71.195 9.321 -2.837 1.00 0.00 C ATOM 182 O SER A 14 71.384 8.703 -1.809 1.00 0.00 O ATOM 183 CB SER A 14 70.608 9.406 -5.288 1.00 0.00 C ATOM 184 OG SER A 14 70.043 8.487 -6.214 1.00 0.00 O ATOM 0 H SER A 14 71.165 6.612 -4.783 1.00 0.00 H new ATOM 0 HA SER A 14 72.419 8.589 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 14 69.825 10.022 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 14 71.293 10.081 -5.801 1.00 0.00 H new ATOM 0 HG SER A 14 69.566 8.980 -6.914 1.00 0.00 H new ATOM 190 N THR A 15 70.873 10.591 -2.826 1.00 0.00 N ATOM 191 CA THR A 15 70.718 11.339 -1.536 1.00 0.00 C ATOM 192 C THR A 15 72.097 11.719 -0.983 1.00 0.00 C ATOM 193 O THR A 15 72.212 12.420 0.002 1.00 0.00 O ATOM 194 CB THR A 15 69.951 10.390 -0.591 1.00 0.00 C ATOM 195 OG1 THR A 15 68.915 11.113 0.058 1.00 0.00 O ATOM 196 CG2 THR A 15 70.884 9.781 0.466 1.00 0.00 C ATOM 0 H THR A 15 70.709 11.149 -3.664 1.00 0.00 H new ATOM 0 HA THR A 15 70.172 12.274 -1.657 1.00 0.00 H new ATOM 0 HB THR A 15 69.532 9.578 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.424 10.514 0.658 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.314 9.117 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.673 9.214 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 15 71.328 10.578 1.062 1.00 0.00 H new ATOM 204 N THR A 16 73.139 11.263 -1.617 1.00 0.00 N ATOM 205 CA THR A 16 74.512 11.597 -1.137 1.00 0.00 C ATOM 206 C THR A 16 75.436 11.864 -2.328 1.00 0.00 C ATOM 207 O THR A 16 75.140 11.478 -3.442 1.00 0.00 O ATOM 208 CB THR A 16 74.977 10.363 -0.366 1.00 0.00 C ATOM 209 OG1 THR A 16 74.732 9.203 -1.147 1.00 0.00 O ATOM 210 CG2 THR A 16 74.211 10.265 0.953 1.00 0.00 C ATOM 0 H THR A 16 73.102 10.673 -2.448 1.00 0.00 H new ATOM 0 HA THR A 16 74.525 12.492 -0.516 1.00 0.00 H new ATOM 0 HB THR A 16 76.044 10.443 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.872 8.811 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.544 9.384 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.399 11.157 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.143 10.183 0.749 1.00 0.00 H new ATOM 218 N PRO A 17 76.524 12.528 -2.051 1.00 0.00 N ATOM 219 CA PRO A 17 77.500 12.863 -3.112 1.00 0.00 C ATOM 220 C PRO A 17 78.337 11.637 -3.494 1.00 0.00 C ATOM 221 O PRO A 17 78.896 11.574 -4.571 1.00 0.00 O ATOM 222 CB PRO A 17 78.373 13.934 -2.468 1.00 0.00 C ATOM 223 CG PRO A 17 78.264 13.698 -0.993 1.00 0.00 C ATOM 224 CD PRO A 17 76.934 13.033 -0.738 1.00 0.00 C ATOM 0 HA PRO A 17 77.024 13.198 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 17 79.407 13.853 -2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 17 78.029 14.934 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 17 79.081 13.067 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.333 14.639 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 17 77.026 12.225 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 17 76.206 13.739 -0.338 1.00 0.00 H new ATOM 232 N PHE A 18 78.442 10.667 -2.623 1.00 0.00 N ATOM 233 CA PHE A 18 79.260 9.466 -2.960 1.00 0.00 C ATOM 234 C PHE A 18 78.429 8.183 -2.853 1.00 0.00 C ATOM 235 O PHE A 18 77.984 7.801 -1.789 1.00 0.00 O ATOM 236 CB PHE A 18 80.392 9.466 -1.934 1.00 0.00 C ATOM 237 CG PHE A 18 81.304 10.636 -2.209 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.242 10.563 -3.246 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.206 11.796 -1.434 1.00 0.00 C ATOM 240 CE1 PHE A 18 83.082 11.652 -3.507 1.00 0.00 C ATOM 241 CE2 PHE A 18 82.045 12.886 -1.695 1.00 0.00 C ATOM 242 CZ PHE A 18 82.983 12.814 -2.731 1.00 0.00 C ATOM 0 H PHE A 18 78.002 10.654 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 18 79.630 9.500 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.986 9.534 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.951 8.532 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.317 9.667 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.483 11.851 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.806 11.596 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.968 13.782 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.631 13.654 -2.932 1.00 0.00 H new ATOM 252 N ASN A 19 78.230 7.514 -3.957 1.00 0.00 N ATOM 253 CA ASN A 19 77.445 6.250 -3.949 1.00 0.00 C ATOM 254 C ASN A 19 78.130 5.232 -4.862 1.00 0.00 C ATOM 255 O ASN A 19 78.787 5.589 -5.819 1.00 0.00 O ATOM 256 CB ASN A 19 76.071 6.624 -4.504 1.00 0.00 C ATOM 257 CG ASN A 19 75.610 7.952 -3.900 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.278 8.958 -4.031 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.484 7.998 -3.241 1.00 0.00 N ATOM 0 H ASN A 19 78.582 7.794 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 19 77.366 5.809 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.117 6.705 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.350 5.840 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.165 8.878 -2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.923 7.153 -3.131 1.00 0.00 H new ATOM 266 N LEU A 20 77.988 3.972 -4.577 1.00 0.00 N ATOM 267 CA LEU A 20 78.640 2.943 -5.435 1.00 0.00 C ATOM 268 C LEU A 20 78.059 1.559 -5.152 1.00 0.00 C ATOM 269 O LEU A 20 77.039 1.418 -4.507 1.00 0.00 O ATOM 270 CB LEU A 20 80.119 2.991 -5.050 1.00 0.00 C ATOM 271 CG LEU A 20 80.263 2.752 -3.546 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.556 1.272 -3.289 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.415 3.600 -3.004 1.00 0.00 C ATOM 0 H LEU A 20 77.451 3.608 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 20 78.484 3.136 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.675 2.234 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.544 3.958 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 20 79.337 3.031 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.659 1.102 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.736 0.666 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.482 0.992 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.519 3.431 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.341 3.320 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.208 4.654 -3.186 1.00 0.00 H new ATOM 285 N PHE A 21 78.703 0.533 -5.635 1.00 0.00 N ATOM 286 CA PHE A 21 78.197 -0.848 -5.402 1.00 0.00 C ATOM 287 C PHE A 21 79.290 -1.705 -4.762 1.00 0.00 C ATOM 288 O PHE A 21 80.456 -1.586 -5.084 1.00 0.00 O ATOM 289 CB PHE A 21 77.842 -1.368 -6.796 1.00 0.00 C ATOM 290 CG PHE A 21 77.715 -2.872 -6.770 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.601 -3.473 -6.170 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.709 -3.666 -7.354 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.483 -4.868 -6.156 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.590 -5.061 -7.341 1.00 0.00 C ATOM 295 CZ PHE A 21 77.478 -5.661 -6.742 1.00 0.00 C ATOM 0 H PHE A 21 79.561 0.592 -6.183 1.00 0.00 H new ATOM 0 HA PHE A 21 77.342 -0.876 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 21 76.906 -0.922 -7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.611 -1.072 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 21 75.834 -2.861 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 79.568 -3.202 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.625 -5.333 -5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 21 79.356 -5.673 -7.793 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.386 -6.737 -6.731 1.00 0.00 H new ATOM 305 N ILE A 22 78.922 -2.572 -3.862 1.00 0.00 N ATOM 306 CA ILE A 22 79.936 -3.441 -3.203 1.00 0.00 C ATOM 307 C ILE A 22 79.602 -4.907 -3.482 1.00 0.00 C ATOM 308 O ILE A 22 78.551 -5.227 -4.000 1.00 0.00 O ATOM 309 CB ILE A 22 79.837 -3.109 -1.705 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.806 -1.973 -1.378 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.194 -4.336 -0.859 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.601 -1.525 0.069 1.00 0.00 C ATOM 0 H ILE A 22 77.961 -2.717 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 22 80.949 -3.274 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 22 78.814 -2.809 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.834 -2.305 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.642 -1.135 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.119 -4.083 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.505 -5.149 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.213 -4.650 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.293 -0.715 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.577 -1.176 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.787 -2.364 0.739 1.00 0.00 H new ATOM 324 N GLY A 23 80.490 -5.796 -3.149 1.00 0.00 N ATOM 325 CA GLY A 23 80.220 -7.237 -3.404 1.00 0.00 C ATOM 326 C GLY A 23 80.826 -8.085 -2.288 1.00 0.00 C ATOM 327 O GLY A 23 81.315 -7.575 -1.300 1.00 0.00 O ATOM 0 H GLY A 23 81.389 -5.590 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.145 -7.410 -3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.642 -7.530 -4.365 1.00 0.00 H new ATOM 331 N ASN A 24 80.795 -9.380 -2.445 1.00 0.00 N ATOM 332 CA ASN A 24 81.366 -10.289 -1.405 1.00 0.00 C ATOM 333 C ASN A 24 80.451 -10.329 -0.179 1.00 0.00 C ATOM 334 O ASN A 24 80.895 -10.188 0.944 1.00 0.00 O ATOM 335 CB ASN A 24 82.729 -9.694 -1.042 1.00 0.00 C ATOM 336 CG ASN A 24 83.799 -10.785 -1.120 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.533 -11.882 -1.569 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.006 -10.528 -0.698 1.00 0.00 N ATOM 0 H ASN A 24 80.396 -9.853 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 24 81.461 -11.313 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.975 -8.879 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.698 -9.272 -0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.727 -11.248 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.229 -9.607 -0.321 1.00 0.00 H new ATOM 345 N LEU A 25 79.178 -10.523 -0.385 1.00 0.00 N ATOM 346 CA LEU A 25 78.236 -10.578 0.768 1.00 0.00 C ATOM 347 C LEU A 25 78.044 -12.025 1.215 1.00 0.00 C ATOM 348 O LEU A 25 77.652 -12.882 0.448 1.00 0.00 O ATOM 349 CB LEU A 25 76.923 -10.002 0.246 1.00 0.00 C ATOM 350 CG LEU A 25 76.987 -8.474 0.260 1.00 0.00 C ATOM 351 CD1 LEU A 25 76.933 -7.974 1.705 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.293 -8.009 -0.389 1.00 0.00 C ATOM 0 H LEU A 25 78.749 -10.646 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 25 78.606 -10.020 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.736 -10.358 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.093 -10.346 0.863 1.00 0.00 H new ATOM 0 HG LEU A 25 76.141 -8.072 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.979 -6.885 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.003 -8.303 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 25 77.779 -8.378 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.337 -6.920 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.139 -8.412 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.334 -8.364 -1.419 1.00 0.00 H new ATOM 364 N ASN A 26 78.321 -12.297 2.454 1.00 0.00 N ATOM 365 CA ASN A 26 78.163 -13.681 2.974 1.00 0.00 C ATOM 366 C ASN A 26 76.848 -14.289 2.478 1.00 0.00 C ATOM 367 O ASN A 26 75.783 -13.917 2.929 1.00 0.00 O ATOM 368 CB ASN A 26 78.143 -13.517 4.491 1.00 0.00 C ATOM 369 CG ASN A 26 78.536 -14.838 5.155 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.575 -15.868 4.512 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.833 -14.850 6.425 1.00 0.00 N ATOM 0 H ASN A 26 78.653 -11.615 3.136 1.00 0.00 H new ATOM 0 HA ASN A 26 78.959 -14.347 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 26 78.833 -12.728 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.149 -13.214 4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.098 -15.724 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.800 -13.985 6.965 1.00 0.00 H new ATOM 378 N PRO A 27 76.973 -15.209 1.561 1.00 0.00 N ATOM 379 CA PRO A 27 75.782 -15.886 0.993 1.00 0.00 C ATOM 380 C PRO A 27 75.177 -16.848 2.020 1.00 0.00 C ATOM 381 O PRO A 27 73.992 -17.115 2.012 1.00 0.00 O ATOM 382 CB PRO A 27 76.341 -16.648 -0.205 1.00 0.00 C ATOM 383 CG PRO A 27 77.787 -16.860 0.112 1.00 0.00 C ATOM 384 CD PRO A 27 78.223 -15.706 0.978 1.00 0.00 C ATOM 0 HA PRO A 27 74.985 -15.196 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.824 -17.597 -0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.218 -16.079 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.933 -17.808 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.380 -16.902 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.923 -16.028 1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.725 -14.935 0.393 1.00 0.00 H new ATOM 392 N ASN A 28 75.983 -17.365 2.908 1.00 0.00 N ATOM 393 CA ASN A 28 75.451 -18.305 3.938 1.00 0.00 C ATOM 394 C ASN A 28 74.759 -17.514 5.049 1.00 0.00 C ATOM 395 O ASN A 28 73.990 -18.048 5.823 1.00 0.00 O ATOM 396 CB ASN A 28 76.680 -19.036 4.480 1.00 0.00 C ATOM 397 CG ASN A 28 76.850 -20.365 3.741 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.064 -21.275 3.913 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.853 -20.516 2.920 1.00 0.00 N ATOM 0 H ASN A 28 76.984 -17.178 2.965 1.00 0.00 H new ATOM 0 HA ASN A 28 74.716 -19.000 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.569 -18.419 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.568 -19.214 5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.977 -21.398 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 28 78.513 -19.752 2.775 1.00 0.00 H new ATOM 406 N LYS A 29 75.026 -16.241 5.123 1.00 0.00 N ATOM 407 CA LYS A 29 74.389 -15.399 6.172 1.00 0.00 C ATOM 408 C LYS A 29 73.313 -14.516 5.540 1.00 0.00 C ATOM 409 O LYS A 29 72.777 -14.828 4.495 1.00 0.00 O ATOM 410 CB LYS A 29 75.527 -14.544 6.732 1.00 0.00 C ATOM 411 CG LYS A 29 75.785 -14.929 8.190 1.00 0.00 C ATOM 412 CD LYS A 29 74.718 -14.292 9.082 1.00 0.00 C ATOM 413 CE LYS A 29 74.521 -15.151 10.333 1.00 0.00 C ATOM 414 NZ LYS A 29 74.039 -14.205 11.377 1.00 0.00 N ATOM 0 H LYS A 29 75.662 -15.745 4.498 1.00 0.00 H new ATOM 0 HA LYS A 29 73.905 -15.989 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.431 -14.690 6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.269 -13.487 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.766 -16.013 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.777 -14.595 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.019 -13.283 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.778 -14.203 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 29 73.797 -15.946 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.453 -15.630 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.843 -13.885 11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.592 -13.384 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.345 -14.684 11.986 1.00 0.00 H new ATOM 428 N SER A 30 72.996 -13.417 6.160 1.00 0.00 N ATOM 429 CA SER A 30 71.957 -12.516 5.587 1.00 0.00 C ATOM 430 C SER A 30 72.584 -11.187 5.171 1.00 0.00 C ATOM 431 O SER A 30 73.550 -10.734 5.756 1.00 0.00 O ATOM 432 CB SER A 30 70.955 -12.290 6.714 1.00 0.00 C ATOM 433 OG SER A 30 70.712 -13.520 7.384 1.00 0.00 O ATOM 0 H SER A 30 73.410 -13.102 7.038 1.00 0.00 H new ATOM 0 HA SER A 30 71.488 -12.946 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.341 -11.551 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.023 -11.892 6.312 1.00 0.00 H new ATOM 0 HG SER A 30 70.069 -13.376 8.110 1.00 0.00 H new ATOM 439 N VAL A 31 72.039 -10.549 4.175 1.00 0.00 N ATOM 440 CA VAL A 31 72.609 -9.247 3.745 1.00 0.00 C ATOM 441 C VAL A 31 72.338 -8.196 4.821 1.00 0.00 C ATOM 442 O VAL A 31 73.068 -7.235 4.966 1.00 0.00 O ATOM 443 CB VAL A 31 71.897 -8.887 2.441 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.720 -7.841 1.686 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.750 -10.135 1.567 1.00 0.00 C ATOM 0 H VAL A 31 71.230 -10.871 3.644 1.00 0.00 H new ATOM 0 HA VAL A 31 73.688 -9.296 3.597 1.00 0.00 H new ATOM 0 HB VAL A 31 70.909 -8.487 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.214 -7.583 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.826 -6.948 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.707 -8.247 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.242 -9.872 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.737 -10.538 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.166 -10.886 2.100 1.00 0.00 H new ATOM 455 N ALA A 32 71.300 -8.383 5.590 1.00 0.00 N ATOM 456 CA ALA A 32 70.991 -7.405 6.670 1.00 0.00 C ATOM 457 C ALA A 32 72.132 -7.403 7.685 1.00 0.00 C ATOM 458 O ALA A 32 72.532 -6.373 8.190 1.00 0.00 O ATOM 459 CB ALA A 32 69.697 -7.911 7.311 1.00 0.00 C ATOM 0 H ALA A 32 70.654 -9.169 5.517 1.00 0.00 H new ATOM 0 HA ALA A 32 70.878 -6.386 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.404 -7.240 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.907 -7.942 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.856 -8.912 7.711 1.00 0.00 H new ATOM 465 N GLU A 33 72.672 -8.555 7.970 1.00 0.00 N ATOM 466 CA GLU A 33 73.804 -8.633 8.935 1.00 0.00 C ATOM 467 C GLU A 33 75.046 -8.004 8.303 1.00 0.00 C ATOM 468 O GLU A 33 75.723 -7.199 8.912 1.00 0.00 O ATOM 469 CB GLU A 33 74.014 -10.127 9.187 1.00 0.00 C ATOM 470 CG GLU A 33 72.680 -10.774 9.565 1.00 0.00 C ATOM 471 CD GLU A 33 72.636 -11.007 11.077 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.359 -11.871 11.544 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.880 -10.317 11.741 1.00 0.00 O ATOM 0 H GLU A 33 72.377 -9.448 7.575 1.00 0.00 H new ATOM 0 HA GLU A 33 73.607 -8.101 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.421 -10.603 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.740 -10.273 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.853 -10.132 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.560 -11.720 9.037 1.00 0.00 H new ATOM 480 N LEU A 34 75.334 -8.340 7.074 1.00 0.00 N ATOM 481 CA LEU A 34 76.507 -7.737 6.401 1.00 0.00 C ATOM 482 C LEU A 34 76.361 -6.224 6.460 1.00 0.00 C ATOM 483 O LEU A 34 77.316 -5.497 6.645 1.00 0.00 O ATOM 484 CB LEU A 34 76.424 -8.233 4.958 1.00 0.00 C ATOM 485 CG LEU A 34 77.161 -9.566 4.828 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.358 -10.506 3.928 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.539 -9.323 4.210 1.00 0.00 C ATOM 0 H LEU A 34 74.804 -9.006 6.512 1.00 0.00 H new ATOM 0 HA LEU A 34 77.461 -8.003 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.381 -8.353 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.863 -7.497 4.284 1.00 0.00 H new ATOM 0 HG LEU A 34 77.276 -10.018 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.883 -11.457 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.374 -10.676 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.244 -10.056 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 79.068 -10.271 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.421 -8.873 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 34 79.111 -8.651 4.849 1.00 0.00 H new ATOM 499 N LYS A 35 75.154 -5.748 6.323 1.00 0.00 N ATOM 500 CA LYS A 35 74.923 -4.284 6.389 1.00 0.00 C ATOM 501 C LYS A 35 75.452 -3.761 7.723 1.00 0.00 C ATOM 502 O LYS A 35 76.383 -2.982 7.774 1.00 0.00 O ATOM 503 CB LYS A 35 73.407 -4.112 6.300 1.00 0.00 C ATOM 504 CG LYS A 35 73.072 -3.068 5.233 1.00 0.00 C ATOM 505 CD LYS A 35 72.070 -3.657 4.239 1.00 0.00 C ATOM 506 CE LYS A 35 72.823 -4.265 3.054 1.00 0.00 C ATOM 507 NZ LYS A 35 73.719 -5.292 3.653 1.00 0.00 N ATOM 0 H LYS A 35 74.319 -6.313 6.168 1.00 0.00 H new ATOM 0 HA LYS A 35 75.428 -3.735 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.937 -5.064 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.009 -3.801 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.655 -2.176 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.979 -2.761 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.463 -4.419 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.388 -2.881 3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 35 72.135 -4.712 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.394 -3.507 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.129 -5.878 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 74.483 -4.822 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 73.172 -5.894 4.301 1.00 0.00 H new ATOM 521 N VAL A 36 74.879 -4.210 8.806 1.00 0.00 N ATOM 522 CA VAL A 36 75.366 -3.768 10.141 1.00 0.00 C ATOM 523 C VAL A 36 76.877 -3.929 10.191 1.00 0.00 C ATOM 524 O VAL A 36 77.574 -3.134 10.781 1.00 0.00 O ATOM 525 CB VAL A 36 74.703 -4.714 11.130 1.00 0.00 C ATOM 526 CG1 VAL A 36 75.075 -4.310 12.558 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.184 -4.655 10.958 1.00 0.00 C ATOM 0 H VAL A 36 74.096 -4.863 8.823 1.00 0.00 H new ATOM 0 HA VAL A 36 75.132 -2.726 10.358 1.00 0.00 H new ATOM 0 HB VAL A 36 75.048 -5.731 10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.598 -4.990 13.264 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.157 -4.360 12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.735 -3.292 12.748 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.711 -5.334 11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.836 -3.638 11.141 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.921 -4.951 9.942 1.00 0.00 H new ATOM 537 N ALA A 37 77.393 -4.945 9.556 1.00 0.00 N ATOM 538 CA ALA A 37 78.863 -5.132 9.552 1.00 0.00 C ATOM 539 C ALA A 37 79.491 -3.933 8.859 1.00 0.00 C ATOM 540 O ALA A 37 80.476 -3.388 9.305 1.00 0.00 O ATOM 541 CB ALA A 37 79.106 -6.415 8.755 1.00 0.00 C ATOM 0 H ALA A 37 76.860 -5.648 9.044 1.00 0.00 H new ATOM 0 HA ALA A 37 79.294 -5.210 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.176 -6.618 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.599 -7.248 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.716 -6.295 7.744 1.00 0.00 H new ATOM 547 N ILE A 38 78.902 -3.505 7.779 1.00 0.00 N ATOM 548 CA ILE A 38 79.440 -2.322 7.058 1.00 0.00 C ATOM 549 C ILE A 38 79.133 -1.056 7.858 1.00 0.00 C ATOM 550 O ILE A 38 79.862 -0.085 7.807 1.00 0.00 O ATOM 551 CB ILE A 38 78.709 -2.301 5.714 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.055 -3.563 4.918 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.139 -1.066 4.921 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.562 -3.818 4.982 1.00 0.00 C ATOM 0 H ILE A 38 78.070 -3.925 7.364 1.00 0.00 H new ATOM 0 HA ILE A 38 80.521 -2.370 6.923 1.00 0.00 H new ATOM 0 HB ILE A 38 77.634 -2.268 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.514 -4.419 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 38 78.740 -3.448 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.619 -1.049 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.890 -0.167 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.215 -1.100 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 38 80.803 -4.717 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.093 -2.967 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 38 80.864 -3.953 6.021 1.00 0.00 H new ATOM 566 N SER A 39 78.066 -1.061 8.615 1.00 0.00 N ATOM 567 CA SER A 39 77.736 0.147 9.424 1.00 0.00 C ATOM 568 C SER A 39 78.636 0.182 10.657 1.00 0.00 C ATOM 569 O SER A 39 78.974 1.228 11.177 1.00 0.00 O ATOM 570 CB SER A 39 76.272 -0.028 9.826 1.00 0.00 C ATOM 571 OG SER A 39 75.550 1.152 9.500 1.00 0.00 O ATOM 0 H SER A 39 77.416 -1.841 8.707 1.00 0.00 H new ATOM 0 HA SER A 39 77.888 1.078 8.879 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.841 -0.886 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.198 -0.229 10.895 1.00 0.00 H new ATOM 0 HG SER A 39 74.610 1.042 9.755 1.00 0.00 H new ATOM 577 N GLU A 40 79.033 -0.968 11.118 1.00 0.00 N ATOM 578 CA GLU A 40 79.917 -1.040 12.308 1.00 0.00 C ATOM 579 C GLU A 40 81.371 -0.871 11.881 1.00 0.00 C ATOM 580 O GLU A 40 82.144 -0.183 12.519 1.00 0.00 O ATOM 581 CB GLU A 40 79.677 -2.433 12.871 1.00 0.00 C ATOM 582 CG GLU A 40 79.569 -2.362 14.393 1.00 0.00 C ATOM 583 CD GLU A 40 80.970 -2.287 15.003 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.891 -1.943 14.281 1.00 0.00 O ATOM 585 OE2 GLU A 40 81.097 -2.573 16.182 1.00 0.00 O ATOM 0 H GLU A 40 78.779 -1.870 10.716 1.00 0.00 H new ATOM 0 HA GLU A 40 79.711 -0.261 13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.763 -2.853 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.493 -3.097 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.986 -1.489 14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.043 -3.238 14.772 1.00 0.00 H new ATOM 592 N LEU A 41 81.743 -1.482 10.794 1.00 0.00 N ATOM 593 CA LEU A 41 83.141 -1.347 10.308 1.00 0.00 C ATOM 594 C LEU A 41 83.410 0.110 9.956 1.00 0.00 C ATOM 595 O LEU A 41 84.494 0.622 10.152 1.00 0.00 O ATOM 596 CB LEU A 41 83.224 -2.228 9.068 1.00 0.00 C ATOM 597 CG LEU A 41 84.604 -2.875 9.002 1.00 0.00 C ATOM 598 CD1 LEU A 41 85.677 -1.788 8.956 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.822 -3.755 10.232 1.00 0.00 C ATOM 0 H LEU A 41 81.138 -2.070 10.220 1.00 0.00 H new ATOM 0 HA LEU A 41 83.878 -1.646 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.451 -2.996 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.045 -1.633 8.172 1.00 0.00 H new ATOM 0 HG LEU A 41 84.670 -3.489 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 41 86.663 -2.251 8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 41 85.526 -1.165 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 85.609 -1.171 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.809 -4.215 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.753 -3.145 11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.060 -4.534 10.262 1.00 0.00 H new ATOM 611 N PHE A 42 82.420 0.788 9.451 1.00 0.00 N ATOM 612 CA PHE A 42 82.597 2.212 9.103 1.00 0.00 C ATOM 613 C PHE A 42 82.305 3.060 10.338 1.00 0.00 C ATOM 614 O PHE A 42 82.735 4.190 10.451 1.00 0.00 O ATOM 615 CB PHE A 42 81.559 2.468 8.022 1.00 0.00 C ATOM 616 CG PHE A 42 81.973 1.789 6.735 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.122 0.396 6.688 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.203 2.553 5.585 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.501 -0.228 5.494 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.583 1.929 4.392 1.00 0.00 C ATOM 621 CZ PHE A 42 82.731 0.538 4.346 1.00 0.00 C ATOM 0 H PHE A 42 81.491 0.409 9.265 1.00 0.00 H new ATOM 0 HA PHE A 42 83.604 2.456 8.765 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.587 2.094 8.344 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.449 3.540 7.858 1.00 0.00 H new ATOM 0 HD1 PHE A 42 81.944 -0.196 7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.087 3.626 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 42 82.616 -1.301 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.762 2.521 3.506 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.023 0.056 3.425 1.00 0.00 H new ATOM 631 N ALA A 43 81.579 2.507 11.272 1.00 0.00 N ATOM 632 CA ALA A 43 81.258 3.266 12.514 1.00 0.00 C ATOM 633 C ALA A 43 82.480 3.271 13.432 1.00 0.00 C ATOM 634 O ALA A 43 82.721 4.212 14.162 1.00 0.00 O ATOM 635 CB ALA A 43 80.100 2.507 13.162 1.00 0.00 C ATOM 0 H ALA A 43 81.195 1.563 11.228 1.00 0.00 H new ATOM 0 HA ALA A 43 80.991 4.304 12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.808 3.008 14.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.252 2.483 12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.413 1.487 13.386 1.00 0.00 H new ATOM 641 N LYS A 44 83.261 2.228 13.384 1.00 0.00 N ATOM 642 CA LYS A 44 84.479 2.166 14.235 1.00 0.00 C ATOM 643 C LYS A 44 85.621 2.899 13.530 1.00 0.00 C ATOM 644 O LYS A 44 86.592 3.297 14.140 1.00 0.00 O ATOM 645 CB LYS A 44 84.797 0.678 14.373 1.00 0.00 C ATOM 646 CG LYS A 44 84.578 0.239 15.823 1.00 0.00 C ATOM 647 CD LYS A 44 83.840 -1.101 15.845 1.00 0.00 C ATOM 648 CE LYS A 44 84.442 -1.997 16.929 1.00 0.00 C ATOM 649 NZ LYS A 44 83.377 -2.117 17.964 1.00 0.00 N ATOM 0 H LYS A 44 83.106 1.414 12.790 1.00 0.00 H new ATOM 0 HA LYS A 44 84.339 2.634 15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.161 0.096 13.706 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.828 0.487 14.076 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.536 0.147 16.335 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.001 0.993 16.359 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.779 -0.941 16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 83.917 -1.587 14.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 84.715 -2.973 16.528 1.00 0.00 H new ATOM 0 HE3 LYS A 44 85.349 -1.559 17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.629 -2.870 18.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.285 -1.215 18.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 82.473 -2.350 17.506 1.00 0.00 H new ATOM 663 N ASN A 45 85.500 3.083 12.243 1.00 0.00 N ATOM 664 CA ASN A 45 86.564 3.794 11.487 1.00 0.00 C ATOM 665 C ASN A 45 86.301 5.300 11.525 1.00 0.00 C ATOM 666 O ASN A 45 87.181 6.093 11.258 1.00 0.00 O ATOM 667 CB ASN A 45 86.450 3.265 10.057 1.00 0.00 C ATOM 668 CG ASN A 45 87.507 2.184 9.828 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.192 2.190 8.825 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.670 1.249 10.724 1.00 0.00 N ATOM 0 H ASN A 45 84.707 2.770 11.683 1.00 0.00 H new ATOM 0 HA ASN A 45 87.558 3.628 11.902 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.454 2.856 9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.586 4.079 9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 45 88.373 0.523 10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 45 87.095 1.244 11.566 1.00 0.00 H new ATOM 677 N ASP A 46 85.080 5.682 11.835 1.00 0.00 N ATOM 678 CA ASP A 46 84.690 7.127 11.888 1.00 0.00 C ATOM 679 C ASP A 46 84.248 7.555 10.502 1.00 0.00 C ATOM 680 O ASP A 46 84.373 8.697 10.109 1.00 0.00 O ATOM 681 CB ASP A 46 85.919 7.918 12.350 1.00 0.00 C ATOM 682 CG ASP A 46 85.475 9.261 12.933 1.00 0.00 C ATOM 683 OD1 ASP A 46 84.891 10.039 12.197 1.00 0.00 O ATOM 684 OD2 ASP A 46 85.725 9.489 14.105 1.00 0.00 O ATOM 0 H ASP A 46 84.323 5.036 12.058 1.00 0.00 H new ATOM 0 HA ASP A 46 83.867 7.305 12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.470 7.349 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.596 8.080 11.511 1.00 0.00 H new ATOM 689 N LEU A 47 83.720 6.625 9.764 1.00 0.00 N ATOM 690 CA LEU A 47 83.245 6.933 8.397 1.00 0.00 C ATOM 691 C LEU A 47 81.904 7.665 8.479 1.00 0.00 C ATOM 692 O LEU A 47 81.710 8.534 9.307 1.00 0.00 O ATOM 693 CB LEU A 47 83.103 5.560 7.724 1.00 0.00 C ATOM 694 CG LEU A 47 83.701 5.622 6.318 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.376 4.290 5.991 1.00 0.00 C ATOM 696 CD2 LEU A 47 82.591 5.896 5.300 1.00 0.00 C ATOM 0 H LEU A 47 83.597 5.655 10.055 1.00 0.00 H new ATOM 0 HA LEU A 47 83.918 7.581 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.612 4.798 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.052 5.274 7.673 1.00 0.00 H new ATOM 0 HG LEU A 47 84.439 6.423 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.802 4.334 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.168 4.097 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.639 3.488 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 47 83.019 5.940 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 47 81.851 5.096 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.111 6.847 5.532 1.00 0.00 H new ATOM 708 N ALA A 48 80.982 7.322 7.636 1.00 0.00 N ATOM 709 CA ALA A 48 79.653 7.993 7.664 1.00 0.00 C ATOM 710 C ALA A 48 78.726 7.347 6.640 1.00 0.00 C ATOM 711 O ALA A 48 78.204 7.994 5.754 1.00 0.00 O ATOM 712 CB ALA A 48 79.931 9.452 7.305 1.00 0.00 C ATOM 0 H ALA A 48 81.088 6.601 6.922 1.00 0.00 H new ATOM 0 HA ALA A 48 79.164 7.909 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.996 10.011 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.612 9.884 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.384 9.503 6.315 1.00 0.00 H new ATOM 718 N VAL A 49 78.518 6.069 6.763 1.00 0.00 N ATOM 719 CA VAL A 49 77.634 5.356 5.821 1.00 0.00 C ATOM 720 C VAL A 49 76.267 6.025 5.787 1.00 0.00 C ATOM 721 O VAL A 49 75.563 6.097 6.774 1.00 0.00 O ATOM 722 CB VAL A 49 77.540 3.942 6.383 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.863 3.209 6.153 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.250 4.008 7.886 1.00 0.00 C ATOM 0 H VAL A 49 78.932 5.484 7.489 1.00 0.00 H new ATOM 0 HA VAL A 49 78.009 5.361 4.797 1.00 0.00 H new ATOM 0 HB VAL A 49 76.736 3.406 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.794 2.198 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.071 3.160 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.668 3.745 6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.183 2.997 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.054 4.546 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.307 4.528 8.052 1.00 0.00 H new ATOM 734 N VAL A 50 75.904 6.525 4.651 1.00 0.00 N ATOM 735 CA VAL A 50 74.589 7.214 4.515 1.00 0.00 C ATOM 736 C VAL A 50 73.508 6.218 4.092 1.00 0.00 C ATOM 737 O VAL A 50 72.411 6.224 4.615 1.00 0.00 O ATOM 738 CB VAL A 50 74.797 8.273 3.425 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.748 9.375 3.576 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.190 8.891 3.563 1.00 0.00 C ATOM 0 H VAL A 50 76.462 6.489 3.798 1.00 0.00 H new ATOM 0 HA VAL A 50 74.263 7.658 5.455 1.00 0.00 H new ATOM 0 HB VAL A 50 74.701 7.801 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.896 10.127 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.751 8.945 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.847 9.840 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.333 9.643 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.285 9.359 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.946 8.112 3.458 1.00 0.00 H new ATOM 750 N ASP A 51 73.800 5.366 3.148 1.00 0.00 N ATOM 751 CA ASP A 51 72.768 4.381 2.704 1.00 0.00 C ATOM 752 C ASP A 51 73.411 3.035 2.354 1.00 0.00 C ATOM 753 O ASP A 51 74.532 2.970 1.894 1.00 0.00 O ATOM 754 CB ASP A 51 72.133 5.008 1.463 1.00 0.00 C ATOM 755 CG ASP A 51 71.224 3.983 0.781 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.182 3.681 1.339 1.00 0.00 O ATOM 757 OD2 ASP A 51 71.586 3.518 -0.287 1.00 0.00 O ATOM 0 H ASP A 51 74.698 5.307 2.668 1.00 0.00 H new ATOM 0 HA ASP A 51 72.036 4.180 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 51 71.558 5.891 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.909 5.338 0.772 1.00 0.00 H new ATOM 762 N VAL A 52 72.702 1.962 2.572 1.00 0.00 N ATOM 763 CA VAL A 52 73.251 0.616 2.258 1.00 0.00 C ATOM 764 C VAL A 52 72.179 -0.225 1.557 1.00 0.00 C ATOM 765 O VAL A 52 71.000 0.042 1.671 1.00 0.00 O ATOM 766 CB VAL A 52 73.618 -0.014 3.610 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.100 0.225 3.899 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.775 0.594 4.740 1.00 0.00 C ATOM 0 H VAL A 52 71.758 1.962 2.958 1.00 0.00 H new ATOM 0 HA VAL A 52 74.116 0.672 1.597 1.00 0.00 H new ATOM 0 HB VAL A 52 73.416 -1.084 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.360 -0.222 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.702 -0.229 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.296 1.297 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 52 73.051 0.133 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.956 1.668 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.718 0.413 4.543 1.00 0.00 H new ATOM 778 N ARG A 53 72.575 -1.237 0.834 1.00 0.00 N ATOM 779 CA ARG A 53 71.569 -2.085 0.131 1.00 0.00 C ATOM 780 C ARG A 53 72.212 -3.389 -0.350 1.00 0.00 C ATOM 781 O ARG A 53 73.418 -3.498 -0.450 1.00 0.00 O ATOM 782 CB ARG A 53 71.107 -1.247 -1.061 1.00 0.00 C ATOM 783 CG ARG A 53 69.890 -0.410 -0.658 1.00 0.00 C ATOM 784 CD ARG A 53 68.753 -0.650 -1.652 1.00 0.00 C ATOM 785 NE ARG A 53 68.352 -2.069 -1.438 1.00 0.00 N ATOM 786 CZ ARG A 53 67.721 -2.716 -2.378 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.887 -2.084 -3.159 1.00 0.00 N ATOM 788 NH2 ARG A 53 67.922 -3.996 -2.537 1.00 0.00 N ATOM 0 H ARG A 53 73.548 -1.513 0.700 1.00 0.00 H new ATOM 0 HA ARG A 53 70.740 -2.362 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.914 -0.596 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.853 -1.896 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.569 -0.677 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.153 0.648 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.919 0.028 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.082 -0.483 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 53 68.571 -2.534 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.729 -1.084 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.393 -2.590 -3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 68.573 -4.490 -1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.429 -4.502 -3.272 1.00 0.00 H new ATOM 802 N THR A 54 71.417 -4.381 -0.643 1.00 0.00 N ATOM 803 CA THR A 54 71.972 -5.674 -1.112 1.00 0.00 C ATOM 804 C THR A 54 72.142 -5.657 -2.634 1.00 0.00 C ATOM 805 O THR A 54 71.689 -4.754 -3.309 1.00 0.00 O ATOM 806 CB THR A 54 70.924 -6.711 -0.705 1.00 0.00 C ATOM 807 OG1 THR A 54 69.837 -6.667 -1.618 1.00 0.00 O ATOM 808 CG2 THR A 54 70.416 -6.416 0.709 1.00 0.00 C ATOM 0 H THR A 54 70.400 -4.347 -0.576 1.00 0.00 H new ATOM 0 HA THR A 54 72.953 -5.886 -0.686 1.00 0.00 H new ATOM 0 HB THR A 54 71.377 -7.702 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.165 -7.332 -1.359 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.670 -7.160 0.990 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.249 -6.455 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.966 -5.423 0.734 1.00 0.00 H new ATOM 816 N GLY A 55 72.789 -6.650 -3.178 1.00 0.00 N ATOM 817 CA GLY A 55 72.988 -6.695 -4.655 1.00 0.00 C ATOM 818 C GLY A 55 72.662 -8.098 -5.171 1.00 0.00 C ATOM 819 O GLY A 55 73.182 -9.084 -4.687 1.00 0.00 O ATOM 0 H GLY A 55 73.190 -7.434 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.348 -5.959 -5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.017 -6.435 -4.902 1.00 0.00 H new ATOM 823 N THR A 56 71.804 -8.196 -6.150 1.00 0.00 N ATOM 824 CA THR A 56 71.445 -9.536 -6.695 1.00 0.00 C ATOM 825 C THR A 56 70.832 -10.408 -5.592 1.00 0.00 C ATOM 826 O THR A 56 70.003 -9.959 -4.826 1.00 0.00 O ATOM 827 CB THR A 56 72.767 -10.126 -7.189 1.00 0.00 C ATOM 828 OG1 THR A 56 73.559 -9.094 -7.761 1.00 0.00 O ATOM 829 CG2 THR A 56 72.488 -11.199 -8.243 1.00 0.00 C ATOM 0 H THR A 56 71.337 -7.407 -6.596 1.00 0.00 H new ATOM 0 HA THR A 56 70.705 -9.478 -7.494 1.00 0.00 H new ATOM 0 HB THR A 56 73.301 -10.574 -6.351 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.506 -9.275 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.431 -11.618 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.880 -11.990 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.954 -10.754 -9.083 1.00 0.00 H new ATOM 837 N ASN A 57 71.227 -11.650 -5.504 1.00 0.00 N ATOM 838 CA ASN A 57 70.657 -12.539 -4.451 1.00 0.00 C ATOM 839 C ASN A 57 71.643 -12.699 -3.289 1.00 0.00 C ATOM 840 O ASN A 57 72.466 -13.591 -3.280 1.00 0.00 O ATOM 841 CB ASN A 57 70.429 -13.881 -5.146 1.00 0.00 C ATOM 842 CG ASN A 57 69.404 -14.698 -4.355 1.00 0.00 C ATOM 843 OD1 ASN A 57 69.507 -14.820 -3.151 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.414 -15.266 -4.985 1.00 0.00 N ATOM 0 H ASN A 57 71.918 -12.086 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 57 69.737 -12.134 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.074 -13.720 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 57 71.368 -14.429 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 57 67.726 -15.813 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.327 -15.164 -5.996 1.00 0.00 H new ATOM 851 N ARG A 58 71.560 -11.842 -2.309 1.00 0.00 N ATOM 852 CA ARG A 58 72.489 -11.947 -1.146 1.00 0.00 C ATOM 853 C ARG A 58 73.915 -12.230 -1.620 1.00 0.00 C ATOM 854 O ARG A 58 74.602 -13.075 -1.081 1.00 0.00 O ATOM 855 CB ARG A 58 71.957 -13.116 -0.317 1.00 0.00 C ATOM 856 CG ARG A 58 70.461 -12.926 -0.065 1.00 0.00 C ATOM 857 CD ARG A 58 69.903 -14.156 0.654 1.00 0.00 C ATOM 858 NE ARG A 58 68.689 -14.535 -0.120 1.00 0.00 N ATOM 859 CZ ARG A 58 67.633 -14.986 0.500 1.00 0.00 C ATOM 860 NH1 ARG A 58 66.752 -14.151 0.979 1.00 0.00 N ATOM 861 NH2 ARG A 58 67.458 -16.271 0.640 1.00 0.00 N ATOM 0 H ARG A 58 70.890 -11.074 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 58 72.529 -11.022 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.131 -14.056 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.491 -13.176 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 58 70.294 -12.033 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 58 69.939 -12.776 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.630 -14.968 0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 58 69.655 -13.929 1.691 1.00 0.00 H new ATOM 0 HE ARG A 58 68.683 -14.442 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 58 66.889 -13.146 0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 58 65.926 -14.503 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 58 68.147 -16.923 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 58 66.633 -16.623 1.125 1.00 0.00 H new ATOM 875 N LYS A 59 74.370 -11.526 -2.619 1.00 0.00 N ATOM 876 CA LYS A 59 75.756 -11.755 -3.118 1.00 0.00 C ATOM 877 C LYS A 59 76.546 -10.443 -3.093 1.00 0.00 C ATOM 878 O LYS A 59 77.752 -10.435 -2.945 1.00 0.00 O ATOM 879 CB LYS A 59 75.586 -12.257 -4.552 1.00 0.00 C ATOM 880 CG LYS A 59 74.697 -13.503 -4.555 1.00 0.00 C ATOM 881 CD LYS A 59 75.356 -14.603 -5.389 1.00 0.00 C ATOM 882 CE LYS A 59 74.391 -15.782 -5.531 1.00 0.00 C ATOM 883 NZ LYS A 59 75.232 -16.910 -6.021 1.00 0.00 N ATOM 0 H LYS A 59 73.844 -10.804 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 59 76.305 -12.468 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.141 -11.478 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.559 -12.490 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.539 -13.852 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.716 -13.261 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 59 75.623 -14.217 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.280 -14.931 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 59 73.921 -16.025 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 59 73.589 -15.554 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 74.640 -17.757 -6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 75.661 -16.653 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 75.983 -17.109 -5.329 1.00 0.00 H new ATOM 897 N PHE A 60 75.871 -9.335 -3.228 1.00 0.00 N ATOM 898 CA PHE A 60 76.576 -8.019 -3.204 1.00 0.00 C ATOM 899 C PHE A 60 75.753 -7.018 -2.395 1.00 0.00 C ATOM 900 O PHE A 60 74.751 -7.362 -1.803 1.00 0.00 O ATOM 901 CB PHE A 60 76.677 -7.562 -4.664 1.00 0.00 C ATOM 902 CG PHE A 60 76.861 -8.752 -5.579 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.138 -9.286 -5.787 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.753 -9.315 -6.220 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.305 -10.385 -6.638 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.920 -10.414 -7.070 1.00 0.00 C ATOM 907 CZ PHE A 60 77.197 -10.949 -7.279 1.00 0.00 C ATOM 0 H PHE A 60 74.860 -9.282 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 60 77.562 -8.094 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.776 -7.016 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.515 -6.874 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.993 -8.851 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.768 -8.902 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.290 -10.798 -6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.064 -10.849 -7.565 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.326 -11.797 -7.935 1.00 0.00 H new ATOM 917 N GLY A 61 76.164 -5.783 -2.361 1.00 0.00 N ATOM 918 CA GLY A 61 75.391 -4.774 -1.585 1.00 0.00 C ATOM 919 C GLY A 61 75.772 -3.361 -2.028 1.00 0.00 C ATOM 920 O GLY A 61 76.929 -3.049 -2.212 1.00 0.00 O ATOM 0 H GLY A 61 76.996 -5.429 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.323 -4.933 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.589 -4.895 -0.520 1.00 0.00 H new ATOM 924 N TYR A 62 74.805 -2.501 -2.190 1.00 0.00 N ATOM 925 CA TYR A 62 75.112 -1.101 -2.605 1.00 0.00 C ATOM 926 C TYR A 62 75.218 -0.216 -1.373 1.00 0.00 C ATOM 927 O TYR A 62 74.742 -0.557 -0.308 1.00 0.00 O ATOM 928 CB TYR A 62 73.938 -0.671 -3.484 1.00 0.00 C ATOM 929 CG TYR A 62 73.962 -1.450 -4.777 1.00 0.00 C ATOM 930 CD1 TYR A 62 73.558 -2.790 -4.794 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.387 -0.832 -5.959 1.00 0.00 C ATOM 932 CE1 TYR A 62 73.578 -3.513 -5.993 1.00 0.00 C ATOM 933 CE2 TYR A 62 74.408 -1.554 -7.159 1.00 0.00 C ATOM 934 CZ TYR A 62 74.004 -2.894 -7.176 1.00 0.00 C ATOM 935 OH TYR A 62 74.024 -3.606 -8.357 1.00 0.00 O ATOM 0 H TYR A 62 73.815 -2.706 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 62 76.058 -1.023 -3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 62 72.997 -0.843 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.997 0.398 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.231 -3.267 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.699 0.202 -5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 62 73.265 -4.547 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 62 74.736 -1.077 -8.071 1.00 0.00 H new ATOM 0 HH TYR A 62 74.344 -3.029 -9.081 1.00 0.00 H new ATOM 945 N VAL A 63 75.856 0.909 -1.498 1.00 0.00 N ATOM 946 CA VAL A 63 76.008 1.794 -0.321 1.00 0.00 C ATOM 947 C VAL A 63 76.291 3.232 -0.762 1.00 0.00 C ATOM 948 O VAL A 63 76.700 3.486 -1.877 1.00 0.00 O ATOM 949 CB VAL A 63 77.209 1.213 0.420 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.732 2.231 1.420 1.00 0.00 C ATOM 951 CG2 VAL A 63 76.799 -0.063 1.159 1.00 0.00 C ATOM 0 H VAL A 63 76.277 1.252 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 63 75.110 1.834 0.296 1.00 0.00 H new ATOM 0 HB VAL A 63 77.991 0.974 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.590 1.815 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.035 3.136 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.947 2.474 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.662 -0.472 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.012 0.169 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.431 -0.796 0.442 1.00 0.00 H new ATOM 961 N ASP A 64 76.077 4.171 0.114 1.00 0.00 N ATOM 962 CA ASP A 64 76.328 5.592 -0.224 1.00 0.00 C ATOM 963 C ASP A 64 77.085 6.264 0.923 1.00 0.00 C ATOM 964 O ASP A 64 76.809 6.021 2.082 1.00 0.00 O ATOM 965 CB ASP A 64 74.941 6.199 -0.377 1.00 0.00 C ATOM 966 CG ASP A 64 74.074 5.288 -1.248 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.796 4.180 -0.818 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.702 5.713 -2.330 1.00 0.00 O ATOM 0 H ASP A 64 75.734 4.009 1.061 1.00 0.00 H new ATOM 0 HA ASP A 64 76.930 5.716 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.480 6.329 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.014 7.188 -0.829 1.00 0.00 H new ATOM 973 N PHE A 65 78.036 7.098 0.610 1.00 0.00 N ATOM 974 CA PHE A 65 78.817 7.775 1.686 1.00 0.00 C ATOM 975 C PHE A 65 78.371 9.228 1.852 1.00 0.00 C ATOM 976 O PHE A 65 77.530 9.718 1.125 1.00 0.00 O ATOM 977 CB PHE A 65 80.271 7.692 1.230 1.00 0.00 C ATOM 978 CG PHE A 65 80.743 6.269 1.397 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.886 5.730 2.681 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.024 5.485 0.272 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.312 4.407 2.841 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.447 4.161 0.433 1.00 0.00 C ATOM 983 CZ PHE A 65 81.591 3.622 1.718 1.00 0.00 C ATOM 0 H PHE A 65 78.307 7.341 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 65 78.670 7.304 2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.360 8.001 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.892 8.369 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.667 6.335 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 65 80.915 5.901 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.425 3.992 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.663 3.554 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.918 2.600 1.841 1.00 0.00 H new ATOM 993 N GLU A 66 78.910 9.909 2.825 1.00 0.00 N ATOM 994 CA GLU A 66 78.498 11.322 3.066 1.00 0.00 C ATOM 995 C GLU A 66 79.639 12.295 2.764 1.00 0.00 C ATOM 996 O GLU A 66 79.607 13.440 3.167 1.00 0.00 O ATOM 997 CB GLU A 66 78.141 11.371 4.552 1.00 0.00 C ATOM 998 CG GLU A 66 76.630 11.545 4.716 1.00 0.00 C ATOM 999 CD GLU A 66 76.324 12.981 5.140 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.351 13.246 6.331 1.00 0.00 O ATOM 1001 OE2 GLU A 66 76.065 13.794 4.267 1.00 0.00 O ATOM 0 H GLU A 66 79.618 9.549 3.464 1.00 0.00 H new ATOM 0 HA GLU A 66 77.669 11.616 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.466 10.454 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.666 12.195 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.123 11.316 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.252 10.846 5.462 1.00 0.00 H new ATOM 1008 N SER A 67 80.643 11.860 2.059 1.00 0.00 N ATOM 1009 CA SER A 67 81.771 12.789 1.744 1.00 0.00 C ATOM 1010 C SER A 67 82.832 12.126 0.883 1.00 0.00 C ATOM 1011 O SER A 67 82.794 10.945 0.595 1.00 0.00 O ATOM 1012 CB SER A 67 82.384 13.160 3.088 1.00 0.00 C ATOM 1013 OG SER A 67 82.641 11.976 3.831 1.00 0.00 O ATOM 0 H SER A 67 80.736 10.914 1.689 1.00 0.00 H new ATOM 0 HA SER A 67 81.404 13.651 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.309 13.716 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.707 13.811 3.642 1.00 0.00 H new ATOM 0 HG SER A 67 81.889 11.798 4.433 1.00 0.00 H new ATOM 1019 N ALA A 68 83.808 12.898 0.517 1.00 0.00 N ATOM 1020 CA ALA A 68 84.935 12.370 -0.284 1.00 0.00 C ATOM 1021 C ALA A 68 85.839 11.602 0.656 1.00 0.00 C ATOM 1022 O ALA A 68 86.587 10.726 0.269 1.00 0.00 O ATOM 1023 CB ALA A 68 85.655 13.613 -0.790 1.00 0.00 C ATOM 0 H ALA A 68 83.873 13.890 0.744 1.00 0.00 H new ATOM 0 HA ALA A 68 84.631 11.715 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.510 13.316 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.971 14.209 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.000 14.204 0.058 1.00 0.00 H new ATOM 1029 N GLU A 69 85.754 11.945 1.904 1.00 0.00 N ATOM 1030 CA GLU A 69 86.578 11.279 2.929 1.00 0.00 C ATOM 1031 C GLU A 69 85.955 9.927 3.281 1.00 0.00 C ATOM 1032 O GLU A 69 86.639 8.990 3.650 1.00 0.00 O ATOM 1033 CB GLU A 69 86.532 12.247 4.103 1.00 0.00 C ATOM 1034 CG GLU A 69 87.934 12.409 4.683 1.00 0.00 C ATOM 1035 CD GLU A 69 87.957 11.896 6.124 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.589 10.752 6.330 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.343 12.657 6.996 1.00 0.00 O ATOM 0 H GLU A 69 85.135 12.673 2.260 1.00 0.00 H new ATOM 0 HA GLU A 69 87.601 11.070 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.148 13.213 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.851 11.875 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.654 11.857 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.231 13.457 4.655 1.00 0.00 H new ATOM 1044 N ASP A 70 84.662 9.807 3.128 1.00 0.00 N ATOM 1045 CA ASP A 70 84.008 8.508 3.413 1.00 0.00 C ATOM 1046 C ASP A 70 84.221 7.620 2.202 1.00 0.00 C ATOM 1047 O ASP A 70 84.315 6.413 2.301 1.00 0.00 O ATOM 1048 CB ASP A 70 82.522 8.824 3.595 1.00 0.00 C ATOM 1049 CG ASP A 70 82.319 9.650 4.866 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.142 9.539 5.760 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.343 10.381 4.922 1.00 0.00 O ATOM 0 H ASP A 70 84.038 10.552 2.819 1.00 0.00 H new ATOM 0 HA ASP A 70 84.402 8.004 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.149 9.373 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 70 81.949 7.899 3.656 1.00 0.00 H new ATOM 1056 N LEU A 71 84.317 8.229 1.053 1.00 0.00 N ATOM 1057 CA LEU A 71 84.544 7.446 -0.181 1.00 0.00 C ATOM 1058 C LEU A 71 86.006 6.995 -0.233 1.00 0.00 C ATOM 1059 O LEU A 71 86.319 5.902 -0.663 1.00 0.00 O ATOM 1060 CB LEU A 71 84.228 8.405 -1.330 1.00 0.00 C ATOM 1061 CG LEU A 71 84.634 7.766 -2.658 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.380 7.420 -3.463 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.493 8.750 -3.453 1.00 0.00 C ATOM 0 H LEU A 71 84.247 9.238 0.921 1.00 0.00 H new ATOM 0 HA LEU A 71 83.925 6.550 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.164 8.640 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.761 9.345 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 71 85.204 6.857 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 71 83.670 6.964 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.766 6.720 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.810 8.329 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.784 8.296 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.922 9.658 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.387 8.998 -2.880 1.00 0.00 H new ATOM 1075 N GLU A 72 86.903 7.831 0.220 1.00 0.00 N ATOM 1076 CA GLU A 72 88.345 7.455 0.216 1.00 0.00 C ATOM 1077 C GLU A 72 88.582 6.351 1.245 1.00 0.00 C ATOM 1078 O GLU A 72 89.380 5.451 1.043 1.00 0.00 O ATOM 1079 CB GLU A 72 89.092 8.730 0.609 1.00 0.00 C ATOM 1080 CG GLU A 72 90.012 9.155 -0.537 1.00 0.00 C ATOM 1081 CD GLU A 72 90.612 10.528 -0.229 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.429 10.998 0.881 1.00 0.00 O ATOM 1083 OE2 GLU A 72 91.246 11.087 -1.110 1.00 0.00 O ATOM 0 H GLU A 72 86.698 8.758 0.593 1.00 0.00 H new ATOM 0 HA GLU A 72 88.680 7.079 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.382 9.526 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.675 8.558 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.807 8.421 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.452 9.192 -1.472 1.00 0.00 H new ATOM 1090 N LYS A 73 87.863 6.388 2.333 1.00 0.00 N ATOM 1091 CA LYS A 73 88.018 5.327 3.352 1.00 0.00 C ATOM 1092 C LYS A 73 87.204 4.136 2.885 1.00 0.00 C ATOM 1093 O LYS A 73 87.494 2.999 3.197 1.00 0.00 O ATOM 1094 CB LYS A 73 87.450 5.913 4.643 1.00 0.00 C ATOM 1095 CG LYS A 73 88.535 5.925 5.721 1.00 0.00 C ATOM 1096 CD LYS A 73 88.310 7.109 6.662 1.00 0.00 C ATOM 1097 CE LYS A 73 89.300 8.226 6.325 1.00 0.00 C ATOM 1098 NZ LYS A 73 89.915 8.602 7.629 1.00 0.00 N ATOM 0 H LYS A 73 87.177 7.109 2.555 1.00 0.00 H new ATOM 0 HA LYS A 73 89.048 5.006 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.088 6.926 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.597 5.323 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.514 4.991 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.520 5.996 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.287 7.474 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.440 6.794 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.055 7.884 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.795 9.076 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.607 9.364 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 89.174 8.930 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.395 7.775 8.038 1.00 0.00 H new ATOM 1112 N ALA A 74 86.194 4.400 2.106 1.00 0.00 N ATOM 1113 CA ALA A 74 85.364 3.297 1.580 1.00 0.00 C ATOM 1114 C ALA A 74 86.228 2.438 0.662 1.00 0.00 C ATOM 1115 O ALA A 74 86.035 1.246 0.532 1.00 0.00 O ATOM 1116 CB ALA A 74 84.241 3.971 0.792 1.00 0.00 C ATOM 0 H ALA A 74 85.912 5.335 1.814 1.00 0.00 H new ATOM 0 HA ALA A 74 84.959 2.655 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.584 3.210 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.668 4.618 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.669 4.566 -0.014 1.00 0.00 H new ATOM 1122 N LEU A 75 87.196 3.051 0.036 1.00 0.00 N ATOM 1123 CA LEU A 75 88.104 2.301 -0.864 1.00 0.00 C ATOM 1124 C LEU A 75 89.134 1.548 -0.026 1.00 0.00 C ATOM 1125 O LEU A 75 89.412 0.387 -0.254 1.00 0.00 O ATOM 1126 CB LEU A 75 88.781 3.381 -1.705 1.00 0.00 C ATOM 1127 CG LEU A 75 89.112 2.823 -3.083 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.160 1.718 -2.941 1.00 0.00 C ATOM 1129 CD2 LEU A 75 87.844 2.251 -3.717 1.00 0.00 C ATOM 0 H LEU A 75 87.394 4.049 0.114 1.00 0.00 H new ATOM 0 HA LEU A 75 87.588 1.566 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.125 4.247 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.691 3.723 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 75 89.505 3.617 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.400 1.316 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.062 2.128 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.766 0.922 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.079 1.851 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.450 1.454 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.098 3.040 -3.814 1.00 0.00 H new ATOM 1141 N GLU A 76 89.698 2.206 0.950 1.00 0.00 N ATOM 1142 CA GLU A 76 90.708 1.534 1.814 1.00 0.00 C ATOM 1143 C GLU A 76 90.044 0.416 2.625 1.00 0.00 C ATOM 1144 O GLU A 76 90.689 -0.515 3.063 1.00 0.00 O ATOM 1145 CB GLU A 76 91.225 2.630 2.743 1.00 0.00 C ATOM 1146 CG GLU A 76 92.712 2.869 2.478 1.00 0.00 C ATOM 1147 CD GLU A 76 93.419 3.197 3.794 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.482 4.368 4.134 1.00 0.00 O ATOM 1149 OE2 GLU A 76 93.885 2.273 4.440 1.00 0.00 O ATOM 0 H GLU A 76 89.503 3.179 1.186 1.00 0.00 H new ATOM 0 HA GLU A 76 91.511 1.078 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.664 3.551 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.073 2.341 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.158 1.984 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.839 3.689 1.771 1.00 0.00 H new ATOM 1156 N LEU A 77 88.758 0.507 2.825 1.00 0.00 N ATOM 1157 CA LEU A 77 88.040 -0.541 3.604 1.00 0.00 C ATOM 1158 C LEU A 77 87.985 -1.849 2.817 1.00 0.00 C ATOM 1159 O LEU A 77 87.519 -2.861 3.302 1.00 0.00 O ATOM 1160 CB LEU A 77 86.640 0.021 3.788 1.00 0.00 C ATOM 1161 CG LEU A 77 86.668 1.088 4.874 1.00 0.00 C ATOM 1162 CD1 LEU A 77 85.467 2.012 4.700 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.608 0.411 6.241 1.00 0.00 C ATOM 0 H LEU A 77 88.171 1.266 2.480 1.00 0.00 H new ATOM 0 HA LEU A 77 88.531 -0.765 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.280 0.447 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.948 -0.776 4.062 1.00 0.00 H new ATOM 0 HG LEU A 77 87.585 1.672 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.482 2.778 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.512 2.487 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 77 84.547 1.432 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.628 1.169 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 85.688 -0.168 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.465 -0.252 6.357 1.00 0.00 H new ATOM 1175 N THR A 78 88.451 -1.829 1.604 1.00 0.00 N ATOM 1176 CA THR A 78 88.425 -3.068 0.768 1.00 0.00 C ATOM 1177 C THR A 78 89.373 -4.130 1.324 1.00 0.00 C ATOM 1178 O THR A 78 89.459 -5.230 0.816 1.00 0.00 O ATOM 1179 CB THR A 78 88.868 -2.620 -0.627 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.085 -1.506 -1.034 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.681 -3.768 -1.620 1.00 0.00 C ATOM 0 H THR A 78 88.851 -1.008 1.149 1.00 0.00 H new ATOM 0 HA THR A 78 87.435 -3.524 0.756 1.00 0.00 H new ATOM 0 HB THR A 78 89.920 -2.336 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.651 -0.707 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.997 -3.446 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.282 -4.622 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.630 -4.056 -1.650 1.00 0.00 H new ATOM 1189 N GLY A 79 90.069 -3.815 2.369 1.00 0.00 N ATOM 1190 CA GLY A 79 91.002 -4.806 2.977 1.00 0.00 C ATOM 1191 C GLY A 79 90.326 -5.457 4.187 1.00 0.00 C ATOM 1192 O GLY A 79 90.952 -6.150 4.965 1.00 0.00 O ATOM 0 H GLY A 79 90.036 -2.909 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.273 -5.566 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.926 -4.314 3.282 1.00 0.00 H new ATOM 1196 N LEU A 80 89.051 -5.230 4.352 1.00 0.00 N ATOM 1197 CA LEU A 80 88.318 -5.816 5.508 1.00 0.00 C ATOM 1198 C LEU A 80 87.851 -7.233 5.205 1.00 0.00 C ATOM 1199 O LEU A 80 88.354 -7.892 4.317 1.00 0.00 O ATOM 1200 CB LEU A 80 87.135 -4.878 5.707 1.00 0.00 C ATOM 1201 CG LEU A 80 87.549 -3.775 6.675 1.00 0.00 C ATOM 1202 CD1 LEU A 80 86.678 -2.541 6.450 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.383 -4.278 8.110 1.00 0.00 C ATOM 0 H LEU A 80 88.482 -4.658 3.729 1.00 0.00 H new ATOM 0 HA LEU A 80 88.941 -5.899 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.827 -4.449 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.279 -5.426 6.101 1.00 0.00 H new ATOM 0 HG LEU A 80 88.592 -3.507 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 86.976 -1.754 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.803 -2.189 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.632 -2.798 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.678 -3.493 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.341 -4.545 8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.012 -5.155 8.263 1.00 0.00 H new ATOM 1215 N LYS A 81 86.906 -7.707 5.963 1.00 0.00 N ATOM 1216 CA LYS A 81 86.392 -9.094 5.758 1.00 0.00 C ATOM 1217 C LYS A 81 85.028 -9.230 6.380 1.00 0.00 C ATOM 1218 O LYS A 81 84.758 -10.115 7.168 1.00 0.00 O ATOM 1219 CB LYS A 81 87.375 -9.970 6.469 1.00 0.00 C ATOM 1220 CG LYS A 81 87.543 -11.290 5.715 1.00 0.00 C ATOM 1221 CD LYS A 81 89.004 -11.737 5.783 1.00 0.00 C ATOM 1222 CE LYS A 81 89.304 -12.686 4.620 1.00 0.00 C ATOM 1223 NZ LYS A 81 88.393 -13.846 4.827 1.00 0.00 N ATOM 0 H LYS A 81 86.462 -7.192 6.723 1.00 0.00 H new ATOM 0 HA LYS A 81 86.294 -9.354 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 81 88.336 -9.462 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 81 87.033 -10.164 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.898 -12.054 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.237 -11.168 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.663 -10.870 5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.199 -12.236 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.119 -12.205 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.348 -12.998 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 88.779 -14.682 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 88.308 -14.043 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 87.454 -13.624 4.438 1.00 0.00 H new ATOM 1237 N VAL A 82 84.188 -8.343 6.017 1.00 0.00 N ATOM 1238 CA VAL A 82 82.792 -8.351 6.554 1.00 0.00 C ATOM 1239 C VAL A 82 82.291 -9.796 6.673 1.00 0.00 C ATOM 1240 O VAL A 82 82.446 -10.592 5.770 1.00 0.00 O ATOM 1241 CB VAL A 82 81.959 -7.542 5.547 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.374 -8.459 4.465 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.815 -6.846 6.288 1.00 0.00 C ATOM 0 H VAL A 82 84.391 -7.590 5.360 1.00 0.00 H new ATOM 0 HA VAL A 82 82.723 -7.915 7.550 1.00 0.00 H new ATOM 0 HB VAL A 82 82.605 -6.805 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.788 -7.866 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.185 -8.956 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.733 -9.208 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.220 -6.270 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.184 -7.594 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 82 81.225 -6.177 7.045 1.00 0.00 H new ATOM 1253 N PHE A 83 81.704 -10.137 7.786 1.00 0.00 N ATOM 1254 CA PHE A 83 81.207 -11.531 7.978 1.00 0.00 C ATOM 1255 C PHE A 83 82.218 -12.538 7.419 1.00 0.00 C ATOM 1256 O PHE A 83 81.855 -13.574 6.897 1.00 0.00 O ATOM 1257 CB PHE A 83 79.889 -11.599 7.209 1.00 0.00 C ATOM 1258 CG PHE A 83 78.746 -11.599 8.195 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.441 -12.762 8.912 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.997 -10.436 8.396 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.386 -12.761 9.831 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.940 -10.434 9.314 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.635 -11.597 10.032 1.00 0.00 C ATOM 0 H PHE A 83 81.546 -9.509 8.574 1.00 0.00 H new ATOM 0 HA PHE A 83 81.070 -11.777 9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.803 -10.749 6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.857 -12.499 6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.020 -13.660 8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.234 -9.539 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.151 -13.658 10.385 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.360 -9.536 9.468 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.820 -11.596 10.741 1.00 0.00 H new ATOM 1273 N GLY A 84 83.485 -12.241 7.529 1.00 0.00 N ATOM 1274 CA GLY A 84 84.523 -13.179 7.010 1.00 0.00 C ATOM 1275 C GLY A 84 84.622 -13.055 5.489 1.00 0.00 C ATOM 1276 O GLY A 84 84.978 -13.992 4.801 1.00 0.00 O ATOM 0 H GLY A 84 83.847 -11.388 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.488 -12.956 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.270 -14.203 7.285 1.00 0.00 H new ATOM 1280 N ASN A 85 84.315 -11.905 4.958 1.00 0.00 N ATOM 1281 CA ASN A 85 84.398 -11.715 3.482 1.00 0.00 C ATOM 1282 C ASN A 85 84.866 -10.293 3.182 1.00 0.00 C ATOM 1283 O ASN A 85 84.140 -9.339 3.371 1.00 0.00 O ATOM 1284 CB ASN A 85 82.974 -11.936 2.970 1.00 0.00 C ATOM 1285 CG ASN A 85 82.816 -13.384 2.504 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.754 -14.156 2.554 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.662 -13.789 2.049 1.00 0.00 N ATOM 0 H ASN A 85 84.009 -11.086 5.483 1.00 0.00 H new ATOM 0 HA ASN A 85 85.102 -12.398 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.255 -11.717 3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.762 -11.253 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.547 -14.753 1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 85 80.875 -13.142 2.007 1.00 0.00 H new ATOM 1294 N GLU A 86 86.078 -10.135 2.733 1.00 0.00 N ATOM 1295 CA GLU A 86 86.576 -8.761 2.447 1.00 0.00 C ATOM 1296 C GLU A 86 85.693 -8.085 1.409 1.00 0.00 C ATOM 1297 O GLU A 86 85.891 -8.219 0.218 1.00 0.00 O ATOM 1298 CB GLU A 86 87.996 -8.933 1.921 1.00 0.00 C ATOM 1299 CG GLU A 86 88.756 -9.934 2.796 1.00 0.00 C ATOM 1300 CD GLU A 86 90.235 -9.545 2.851 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.962 -9.934 1.953 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.613 -8.866 3.791 1.00 0.00 O ATOM 0 H GLU A 86 86.741 -10.889 2.553 1.00 0.00 H new ATOM 0 HA GLU A 86 86.558 -8.131 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.971 -9.283 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.512 -7.973 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 86 88.335 -9.947 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.649 -10.941 2.392 1.00 0.00 H new ATOM 1309 N ILE A 87 84.712 -7.361 1.862 1.00 0.00 N ATOM 1310 CA ILE A 87 83.797 -6.667 0.917 1.00 0.00 C ATOM 1311 C ILE A 87 84.585 -6.063 -0.245 1.00 0.00 C ATOM 1312 O ILE A 87 85.679 -5.561 -0.082 1.00 0.00 O ATOM 1313 CB ILE A 87 83.113 -5.564 1.730 1.00 0.00 C ATOM 1314 CG1 ILE A 87 84.173 -4.585 2.285 1.00 0.00 C ATOM 1315 CG2 ILE A 87 82.298 -6.197 2.860 1.00 0.00 C ATOM 1316 CD1 ILE A 87 84.535 -4.904 3.743 1.00 0.00 C ATOM 0 H ILE A 87 84.503 -7.219 2.850 1.00 0.00 H new ATOM 0 HA ILE A 87 83.071 -7.356 0.486 1.00 0.00 H new ATOM 0 HB ILE A 87 82.436 -4.999 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 87 85.071 -4.633 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 87 83.795 -3.565 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.810 -5.413 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.542 -6.859 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.960 -6.770 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 87 85.283 -4.194 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.642 -4.830 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.937 -5.915 3.805 1.00 0.00 H new ATOM 1328 N LYS A 88 84.025 -6.105 -1.416 1.00 0.00 N ATOM 1329 CA LYS A 88 84.719 -5.529 -2.603 1.00 0.00 C ATOM 1330 C LYS A 88 83.839 -4.445 -3.223 1.00 0.00 C ATOM 1331 O LYS A 88 82.693 -4.674 -3.547 1.00 0.00 O ATOM 1332 CB LYS A 88 84.902 -6.687 -3.585 1.00 0.00 C ATOM 1333 CG LYS A 88 85.256 -7.970 -2.826 1.00 0.00 C ATOM 1334 CD LYS A 88 86.505 -8.601 -3.443 1.00 0.00 C ATOM 1335 CE LYS A 88 86.100 -9.784 -4.325 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.841 -9.582 -5.602 1.00 0.00 N ATOM 0 H LYS A 88 83.111 -6.515 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 88 85.676 -5.078 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.987 -6.835 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.691 -6.448 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.431 -7.746 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.423 -8.671 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.044 -7.861 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.182 -8.935 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.366 -10.733 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 88 85.023 -9.802 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.615 -10.355 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 86.562 -8.674 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.864 -9.576 -5.413 1.00 0.00 H new ATOM 1350 N LEU A 89 84.358 -3.267 -3.381 1.00 0.00 N ATOM 1351 CA LEU A 89 83.542 -2.174 -3.962 1.00 0.00 C ATOM 1352 C LEU A 89 83.587 -2.214 -5.486 1.00 0.00 C ATOM 1353 O LEU A 89 84.270 -3.022 -6.084 1.00 0.00 O ATOM 1354 CB LEU A 89 84.187 -0.894 -3.439 1.00 0.00 C ATOM 1355 CG LEU A 89 84.011 -0.811 -1.923 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.370 -0.578 -1.261 1.00 0.00 C ATOM 1357 CD2 LEU A 89 83.074 0.351 -1.582 1.00 0.00 C ATOM 0 H LEU A 89 85.314 -3.012 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 89 82.491 -2.253 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.247 -0.879 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.733 -0.025 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 89 83.584 -1.745 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 89 85.243 -0.519 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.039 -1.404 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.798 0.355 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 89 82.948 0.411 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 89 83.502 1.284 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 89 82.104 0.187 -2.052 1.00 0.00 H new ATOM 1369 N GLU A 90 82.854 -1.344 -6.112 1.00 0.00 N ATOM 1370 CA GLU A 90 82.829 -1.312 -7.597 1.00 0.00 C ATOM 1371 C GLU A 90 81.960 -0.141 -8.075 1.00 0.00 C ATOM 1372 O GLU A 90 80.755 -0.145 -7.919 1.00 0.00 O ATOM 1373 CB GLU A 90 82.216 -2.659 -7.999 1.00 0.00 C ATOM 1374 CG GLU A 90 81.565 -2.547 -9.377 1.00 0.00 C ATOM 1375 CD GLU A 90 81.918 -3.779 -10.213 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.247 -4.795 -9.625 1.00 0.00 O ATOM 1377 OE2 GLU A 90 81.851 -3.685 -11.428 1.00 0.00 O ATOM 0 H GLU A 90 82.265 -0.647 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 90 83.815 -1.170 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.987 -3.429 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.474 -2.965 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.483 -2.463 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.908 -1.643 -9.880 1.00 0.00 H new ATOM 1384 N LYS A 91 82.564 0.862 -8.652 1.00 0.00 N ATOM 1385 CA LYS A 91 81.775 2.031 -9.135 1.00 0.00 C ATOM 1386 C LYS A 91 80.818 1.602 -10.251 1.00 0.00 C ATOM 1387 O LYS A 91 81.245 1.263 -11.337 1.00 0.00 O ATOM 1388 CB LYS A 91 82.813 3.017 -9.671 1.00 0.00 C ATOM 1389 CG LYS A 91 82.207 4.420 -9.722 1.00 0.00 C ATOM 1390 CD LYS A 91 82.085 4.975 -8.302 1.00 0.00 C ATOM 1391 CE LYS A 91 82.892 6.272 -8.189 1.00 0.00 C ATOM 1392 NZ LYS A 91 84.317 5.840 -8.220 1.00 0.00 N ATOM 0 H LYS A 91 83.570 0.922 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 91 81.165 2.469 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 91 83.696 3.014 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 91 83.138 2.714 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 91 82.832 5.076 -10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 91 81.226 4.387 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 91 81.038 5.163 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 91 82.450 4.243 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 91 82.667 6.950 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 91 82.660 6.803 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 84.919 6.603 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 84.435 4.989 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 84.594 5.626 -9.199 1.00 0.00 H new ATOM 1406 N PRO A 92 79.550 1.630 -9.943 1.00 0.00 N ATOM 1407 CA PRO A 92 78.517 1.238 -10.930 1.00 0.00 C ATOM 1408 C PRO A 92 78.338 2.337 -11.979 1.00 0.00 C ATOM 1409 O PRO A 92 78.998 3.357 -11.944 1.00 0.00 O ATOM 1410 CB PRO A 92 77.255 1.084 -10.086 1.00 0.00 C ATOM 1411 CG PRO A 92 77.478 1.954 -8.890 1.00 0.00 C ATOM 1412 CD PRO A 92 78.965 2.024 -8.657 1.00 0.00 C ATOM 0 HA PRO A 92 78.771 0.331 -11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 92 76.370 1.395 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 92 77.100 0.045 -9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 92 77.068 2.950 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 92 76.971 1.544 -8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 92 79.276 3.028 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 92 79.275 1.352 -7.856 1.00 0.00 H new ATOM 1420 N LYS A 93 77.446 2.136 -12.910 1.00 0.00 N ATOM 1421 CA LYS A 93 77.216 3.165 -13.965 1.00 0.00 C ATOM 1422 C LYS A 93 78.549 3.754 -14.436 1.00 0.00 C ATOM 1423 O LYS A 93 78.689 4.952 -14.592 1.00 0.00 O ATOM 1424 CB LYS A 93 76.364 4.241 -13.290 1.00 0.00 C ATOM 1425 CG LYS A 93 74.882 3.920 -13.493 1.00 0.00 C ATOM 1426 CD LYS A 93 74.031 5.083 -12.980 1.00 0.00 C ATOM 1427 CE LYS A 93 73.103 4.587 -11.870 1.00 0.00 C ATOM 1428 NZ LYS A 93 73.991 4.378 -10.692 1.00 0.00 N ATOM 0 H LYS A 93 76.865 1.301 -12.986 1.00 0.00 H new ATOM 0 HA LYS A 93 76.727 2.748 -14.845 1.00 0.00 H new ATOM 0 HB2 LYS A 93 76.594 4.288 -12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 93 76.596 5.220 -13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 93 74.679 3.745 -14.550 1.00 0.00 H new ATOM 0 HG3 LYS A 93 74.622 3.004 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 93 74.673 5.879 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 93 73.445 5.506 -13.796 1.00 0.00 H new ATOM 0 HE2 LYS A 93 72.323 5.316 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 93 72.603 3.662 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 73.411 4.219 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 74.597 3.549 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 74.586 5.220 -10.552 1.00 0.00 H new ATOM 1442 N GLY A 94 79.529 2.923 -14.664 1.00 0.00 N ATOM 1443 CA GLY A 94 80.850 3.438 -15.124 1.00 0.00 C ATOM 1444 C GLY A 94 81.761 2.263 -15.482 1.00 0.00 C ATOM 1445 O GLY A 94 81.304 1.176 -15.773 1.00 0.00 O ATOM 0 H GLY A 94 79.472 1.911 -14.552 1.00 0.00 H new ATOM 0 HA2 GLY A 94 80.718 4.086 -15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 94 81.309 4.042 -14.341 1.00 0.00 H new ATOM 1449 N ARG A 95 83.049 2.474 -15.465 1.00 0.00 N ATOM 1450 CA ARG A 95 83.991 1.368 -15.805 1.00 0.00 C ATOM 1451 C ARG A 95 84.740 0.907 -14.552 1.00 0.00 C ATOM 1452 O ARG A 95 84.329 -0.015 -13.875 1.00 0.00 O ATOM 1453 CB ARG A 95 84.963 1.974 -16.818 1.00 0.00 C ATOM 1454 CG ARG A 95 84.230 2.233 -18.137 1.00 0.00 C ATOM 1455 CD ARG A 95 84.305 3.723 -18.479 1.00 0.00 C ATOM 1456 NE ARG A 95 83.863 3.815 -19.898 1.00 0.00 N ATOM 1457 CZ ARG A 95 83.861 4.968 -20.507 1.00 0.00 C ATOM 1458 NH1 ARG A 95 83.835 6.073 -19.813 1.00 0.00 N ATOM 1459 NH2 ARG A 95 83.887 5.017 -21.812 1.00 0.00 N ATOM 0 H ARG A 95 83.490 3.363 -15.231 1.00 0.00 H new ATOM 0 HA ARG A 95 83.476 0.495 -16.206 1.00 0.00 H new ATOM 0 HB2 ARG A 95 85.376 2.905 -16.430 1.00 0.00 H new ATOM 0 HB3 ARG A 95 85.802 1.298 -16.983 1.00 0.00 H new ATOM 0 HG2 ARG A 95 84.678 1.643 -18.936 1.00 0.00 H new ATOM 0 HG3 ARG A 95 83.189 1.920 -18.054 1.00 0.00 H new ATOM 0 HD2 ARG A 95 83.660 4.311 -17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 95 85.318 4.106 -18.355 1.00 0.00 H new ATOM 0 HE ARG A 95 83.562 2.976 -20.394 1.00 0.00 H new ATOM 0 HH11 ARG A 95 83.816 6.035 -18.794 1.00 0.00 H new ATOM 0 HH12 ARG A 95 83.833 6.975 -20.290 1.00 0.00 H new ATOM 0 HH21 ARG A 95 83.909 4.153 -22.354 1.00 0.00 H new ATOM 0 HH22 ARG A 95 83.885 5.919 -22.289 1.00 0.00 H new ATOM 1473 N ASP A 96 85.837 1.541 -14.238 1.00 0.00 N ATOM 1474 CA ASP A 96 86.611 1.138 -13.029 1.00 0.00 C ATOM 1475 C ASP A 96 87.767 2.114 -12.792 1.00 0.00 C ATOM 1476 O ASP A 96 88.920 1.732 -12.778 1.00 0.00 O ATOM 1477 CB ASP A 96 87.144 -0.259 -13.348 1.00 0.00 C ATOM 1478 CG ASP A 96 87.777 -0.259 -14.741 1.00 0.00 C ATOM 1479 OD1 ASP A 96 87.064 0.011 -15.694 1.00 0.00 O ATOM 1480 OD2 ASP A 96 88.962 -0.528 -14.832 1.00 0.00 O ATOM 0 H ASP A 96 86.231 2.320 -14.766 1.00 0.00 H new ATOM 0 HA ASP A 96 86.001 1.144 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 96 87.881 -0.558 -12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 96 86.334 -0.987 -13.305 1.00 0.00 H new ATOM 1485 N GLY A 97 87.467 3.371 -12.607 1.00 0.00 N ATOM 1486 CA GLY A 97 88.549 4.368 -12.371 1.00 0.00 C ATOM 1487 C GLY A 97 87.947 5.651 -11.797 1.00 0.00 C ATOM 1488 O GLY A 97 86.769 5.912 -11.940 1.00 0.00 O ATOM 0 H GLY A 97 86.520 3.750 -12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.289 3.961 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 97 89.069 4.584 -13.305 1.00 0.00 H new ATOM 1492 N THR A 98 88.745 6.454 -11.148 1.00 0.00 N ATOM 1493 CA THR A 98 88.215 7.722 -10.565 1.00 0.00 C ATOM 1494 C THR A 98 89.197 8.873 -10.807 1.00 0.00 C ATOM 1495 O THR A 98 89.162 9.523 -11.833 1.00 0.00 O ATOM 1496 CB THR A 98 88.051 7.455 -9.069 1.00 0.00 C ATOM 1497 OG1 THR A 98 88.121 8.685 -8.362 1.00 0.00 O ATOM 1498 CG2 THR A 98 89.151 6.514 -8.566 1.00 0.00 C ATOM 0 H THR A 98 89.740 6.288 -10.996 1.00 0.00 H new ATOM 0 HA THR A 98 87.269 8.012 -11.023 1.00 0.00 H new ATOM 0 HB THR A 98 87.083 6.983 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 98 88.735 8.592 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 98 89.018 6.336 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 98 89.093 5.567 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 98 90.126 6.969 -8.739 1.00 0.00 H new ATOM 1506 N ARG A 99 90.072 9.131 -9.873 1.00 0.00 N ATOM 1507 CA ARG A 99 91.052 10.240 -10.058 1.00 0.00 C ATOM 1508 C ARG A 99 92.185 9.796 -10.988 1.00 0.00 C ATOM 1509 O ARG A 99 92.334 8.627 -11.285 1.00 0.00 O ATOM 1510 CB ARG A 99 91.591 10.530 -8.656 1.00 0.00 C ATOM 1511 CG ARG A 99 92.416 9.337 -8.169 1.00 0.00 C ATOM 1512 CD ARG A 99 93.875 9.764 -7.993 1.00 0.00 C ATOM 1513 NE ARG A 99 94.418 8.851 -6.949 1.00 0.00 N ATOM 1514 CZ ARG A 99 95.516 8.181 -7.175 1.00 0.00 C ATOM 1515 NH1 ARG A 99 96.508 8.748 -7.804 1.00 0.00 N ATOM 1516 NH2 ARG A 99 95.620 6.944 -6.772 1.00 0.00 N ATOM 0 H ARG A 99 90.151 8.623 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 99 90.598 11.121 -10.511 1.00 0.00 H new ATOM 0 HB2 ARG A 99 92.206 11.430 -8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 99 90.766 10.719 -7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 99 92.018 8.967 -7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 99 92.349 8.518 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 99 94.429 9.671 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 99 93.947 10.806 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 99 93.932 8.749 -6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 99 96.426 9.715 -8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 99 97.366 8.225 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 99 94.844 6.501 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 99 96.477 6.421 -6.948 1.00 0.00 H new ATOM 1530 N GLY A 100 92.982 10.720 -11.450 1.00 0.00 N ATOM 1531 CA GLY A 100 94.102 10.349 -12.360 1.00 0.00 C ATOM 1532 C GLY A 100 95.366 11.109 -11.953 1.00 0.00 C ATOM 1533 O GLY A 100 95.385 11.819 -10.967 1.00 0.00 O ATOM 0 H GLY A 100 92.906 11.715 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 100 94.281 9.275 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 100 93.840 10.585 -13.391 1.00 0.00 H new ATOM 1537 N CYS A 101 96.423 10.967 -12.705 1.00 0.00 N ATOM 1538 CA CYS A 101 97.686 11.682 -12.360 1.00 0.00 C ATOM 1539 C CYS A 101 97.538 13.179 -12.645 1.00 0.00 C ATOM 1540 O CYS A 101 97.438 13.936 -11.693 1.00 0.00 O ATOM 1541 CB CYS A 101 98.750 11.065 -13.268 1.00 0.00 C ATOM 1542 SG CYS A 101 99.069 9.361 -12.753 1.00 0.00 S ATOM 1543 OXT CYS A 101 97.529 13.543 -13.809 1.00 0.00 O ATOM 0 H CYS A 101 96.467 10.387 -13.543 1.00 0.00 H new ATOM 0 HA CYS A 101 97.944 11.583 -11.306 1.00 0.00 H new ATOM 0 HB2 CYS A 101 98.415 11.086 -14.305 1.00 0.00 H new ATOM 0 HB3 CYS A 101 99.669 11.649 -13.218 1.00 0.00 H new ATOM 0 HG CYS A 101 99.972 8.836 -13.527 1.00 0.00 H new TER 1549 CYS A 101