USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 495 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 12 CYS SG : rot -150:sc= 0.729 USER MOD Set 1.2: A 15 CYS SG : rot 129:sc= -0.451! USER MOD Set 2.1: A 7 SER OG : rot -170:sc= -1.08! USER MOD Set 2.2: A 39 LYS NZ :NH3+ 155:sc= -0.202 (180deg=-1.01) USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -0.324 (180deg=-1.44) USER MOD Single : A 4 HIS : no HD1:sc= -0.876 K(o=-0.88,f=-6.9!) USER MOD Single : A 10 MET CE :methyl 159:sc= -0.0353 (180deg=-0.512) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -94:sc= 1.08 USER MOD Single : A 24 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.359 (180deg=-1.24) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.48 USER MOD Single : A 46 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-1.7!) USER MOD Single : A 47 SER OG : rot -70:sc= -0.227 USER MOD Single : A 48 MET CE :methyl -132:sc= -0.0156 (180deg=-3.4!) USER MOD Single : A 50 THR OG1 : rot -140:sc= -0.594 USER MOD Single : A 54 THR OG1 : rot 100:sc= -1.28 USER MOD Single : A 56 LYS NZ :NH3+ 138:sc= -0.019 (180deg=-0.178) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 140:sc= -4.35! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -17.221 -16.749 -22.067 1.00 0.00 N ATOM 21 CA PRO A 2 -18.055 -15.710 -22.741 1.00 0.00 C ATOM 22 C PRO A 2 -17.303 -14.393 -22.912 1.00 0.00 C ATOM 23 O PRO A 2 -16.417 -14.066 -22.123 1.00 0.00 O ATOM 24 CB PRO A 2 -19.256 -15.534 -21.808 1.00 0.00 C ATOM 25 CG PRO A 2 -19.326 -16.787 -20.999 1.00 0.00 C ATOM 26 CD PRO A 2 -17.897 -17.318 -20.891 1.00 0.00 C ATOM 0 HA PRO A 2 -18.339 -16.010 -23.750 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.130 -14.661 -21.168 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.174 -15.383 -22.376 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.741 -16.587 -20.011 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.977 -17.520 -21.476 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.421 -17.000 -19.963 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.873 -18.408 -20.904 1.00 0.00 H new ATOM 34 N LYS A 3 -17.666 -13.641 -23.945 1.00 0.00 N ATOM 35 CA LYS A 3 -17.023 -12.358 -24.209 1.00 0.00 C ATOM 36 C LYS A 3 -18.023 -11.222 -24.043 1.00 0.00 C ATOM 37 O LYS A 3 -19.080 -11.219 -24.673 1.00 0.00 O ATOM 38 CB LYS A 3 -16.453 -12.339 -25.629 1.00 0.00 C ATOM 39 CG LYS A 3 -15.372 -13.412 -25.761 1.00 0.00 C ATOM 40 CD LYS A 3 -14.851 -13.438 -27.200 1.00 0.00 C ATOM 41 CE LYS A 3 -13.857 -14.588 -27.363 1.00 0.00 C ATOM 42 NZ LYS A 3 -14.396 -15.811 -26.705 1.00 0.00 N ATOM 0 H LYS A 3 -18.397 -13.895 -24.610 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.211 -12.223 -23.494 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.248 -12.518 -26.353 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.034 -11.357 -25.851 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.554 -13.206 -25.071 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.778 -14.387 -25.492 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.681 -13.559 -27.896 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.369 -12.490 -27.441 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.678 -14.781 -28.421 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.898 -14.318 -26.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.953 -16.654 -27.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.186 -15.779 -25.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.426 -15.855 -26.845 1.00 0.00 H new ATOM 56 N HIS A 4 -17.687 -10.257 -23.192 1.00 0.00 N ATOM 57 CA HIS A 4 -18.575 -9.128 -22.959 1.00 0.00 C ATOM 58 C HIS A 4 -17.930 -7.832 -23.431 1.00 0.00 C ATOM 59 O HIS A 4 -16.767 -7.561 -23.130 1.00 0.00 O ATOM 60 CB HIS A 4 -18.899 -9.021 -21.470 1.00 0.00 C ATOM 61 CG HIS A 4 -20.300 -8.504 -21.295 1.00 0.00 C ATOM 62 ND1 HIS A 4 -21.098 -8.147 -22.371 1.00 0.00 N ATOM 63 CD2 HIS A 4 -21.058 -8.276 -20.174 1.00 0.00 C ATOM 64 CE1 HIS A 4 -22.279 -7.729 -21.878 1.00 0.00 C ATOM 65 NE2 HIS A 4 -22.308 -7.787 -20.545 1.00 0.00 N ATOM 0 H HIS A 4 -16.817 -10.235 -22.659 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.493 -9.290 -23.523 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.799 -9.997 -20.995 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.190 -8.353 -20.980 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.734 -8.449 -19.158 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.103 -7.388 -22.487 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -23.080 -7.529 -19.930 1.00 0.00 H new ATOM 73 N GLU A 5 -18.693 -7.032 -24.165 1.00 0.00 N ATOM 74 CA GLU A 5 -18.185 -5.763 -24.662 1.00 0.00 C ATOM 75 C GLU A 5 -18.956 -4.609 -24.039 1.00 0.00 C ATOM 76 O GLU A 5 -20.187 -4.586 -24.064 1.00 0.00 O ATOM 77 CB GLU A 5 -18.318 -5.710 -26.185 1.00 0.00 C ATOM 78 CG GLU A 5 -18.110 -7.111 -26.765 1.00 0.00 C ATOM 79 CD GLU A 5 -19.334 -7.977 -26.486 1.00 0.00 C ATOM 80 OE1 GLU A 5 -20.431 -7.443 -26.509 1.00 0.00 O ATOM 81 OE2 GLU A 5 -19.157 -9.162 -26.255 1.00 0.00 O ATOM 0 H GLU A 5 -19.657 -7.238 -24.427 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.133 -5.675 -24.389 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.303 -5.333 -26.462 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.584 -5.020 -26.601 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.937 -7.047 -27.839 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.223 -7.568 -26.326 1.00 0.00 H new ATOM 88 N PHE A 6 -18.226 -3.651 -23.480 1.00 0.00 N ATOM 89 CA PHE A 6 -18.856 -2.499 -22.852 1.00 0.00 C ATOM 90 C PHE A 6 -18.302 -1.207 -23.442 1.00 0.00 C ATOM 91 O PHE A 6 -17.101 -1.089 -23.687 1.00 0.00 O ATOM 92 CB PHE A 6 -18.605 -2.530 -21.339 1.00 0.00 C ATOM 93 CG PHE A 6 -19.858 -2.976 -20.626 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.528 -4.133 -21.041 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.349 -2.233 -19.547 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.689 -4.547 -20.377 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.510 -2.646 -18.882 1.00 0.00 C ATOM 98 CZ PHE A 6 -22.181 -3.802 -19.298 1.00 0.00 C ATOM 0 H PHE A 6 -17.206 -3.649 -23.449 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.929 -2.539 -23.040 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.783 -3.209 -21.111 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -18.308 -1.541 -20.989 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -20.149 -4.707 -21.874 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.832 -1.340 -19.227 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -22.205 -5.440 -20.697 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -21.888 -2.073 -18.048 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.078 -4.119 -18.787 1.00 0.00 H new ATOM 108 N SER A 7 -19.183 -0.239 -23.668 1.00 0.00 N ATOM 109 CA SER A 7 -18.771 1.040 -24.229 1.00 0.00 C ATOM 110 C SER A 7 -18.658 2.087 -23.128 1.00 0.00 C ATOM 111 O SER A 7 -19.664 2.498 -22.545 1.00 0.00 O ATOM 112 CB SER A 7 -19.781 1.499 -25.279 1.00 0.00 C ATOM 113 OG SER A 7 -19.631 0.709 -26.450 1.00 0.00 O ATOM 0 H SER A 7 -20.181 -0.315 -23.472 1.00 0.00 H new ATOM 0 HA SER A 7 -17.796 0.917 -24.700 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.795 1.405 -24.890 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.626 2.552 -25.514 1.00 0.00 H new ATOM 0 HG SER A 7 -20.162 1.097 -27.177 1.00 0.00 H new ATOM 119 N VAL A 8 -17.432 2.506 -22.839 1.00 0.00 N ATOM 120 CA VAL A 8 -17.206 3.496 -21.795 1.00 0.00 C ATOM 121 C VAL A 8 -16.314 4.627 -22.290 1.00 0.00 C ATOM 122 O VAL A 8 -15.198 4.393 -22.756 1.00 0.00 O ATOM 123 CB VAL A 8 -16.549 2.828 -20.585 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.104 2.458 -20.926 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.557 3.798 -19.400 1.00 0.00 C ATOM 0 H VAL A 8 -16.587 2.179 -23.308 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.172 3.916 -21.513 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.104 1.927 -20.324 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.637 1.982 -20.064 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.094 1.768 -21.770 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.550 3.359 -21.188 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.089 3.323 -18.538 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.002 4.699 -19.663 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.585 4.064 -19.154 1.00 0.00 H new ATOM 135 N ASP A 9 -16.802 5.856 -22.164 1.00 0.00 N ATOM 136 CA ASP A 9 -16.027 7.017 -22.579 1.00 0.00 C ATOM 137 C ASP A 9 -15.093 7.423 -21.445 1.00 0.00 C ATOM 138 O ASP A 9 -15.548 7.842 -20.380 1.00 0.00 O ATOM 139 CB ASP A 9 -16.961 8.179 -22.929 1.00 0.00 C ATOM 140 CG ASP A 9 -16.678 8.669 -24.346 1.00 0.00 C ATOM 141 OD1 ASP A 9 -15.523 8.927 -24.642 1.00 0.00 O ATOM 142 OD2 ASP A 9 -17.620 8.779 -25.113 1.00 0.00 O ATOM 0 H ASP A 9 -17.722 6.072 -21.781 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.442 6.765 -23.464 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.000 7.859 -22.847 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.822 8.994 -22.219 1.00 0.00 H new ATOM 147 N MET A 10 -13.793 7.276 -21.664 1.00 0.00 N ATOM 148 CA MET A 10 -12.822 7.611 -20.630 1.00 0.00 C ATOM 149 C MET A 10 -12.599 9.117 -20.546 1.00 0.00 C ATOM 150 O MET A 10 -12.104 9.737 -21.487 1.00 0.00 O ATOM 151 CB MET A 10 -11.491 6.915 -20.924 1.00 0.00 C ATOM 152 CG MET A 10 -11.723 5.410 -21.071 1.00 0.00 C ATOM 153 SD MET A 10 -10.164 4.598 -21.506 1.00 0.00 S ATOM 154 CE MET A 10 -9.387 4.695 -19.874 1.00 0.00 C ATOM 0 H MET A 10 -13.390 6.932 -22.536 1.00 0.00 H new ATOM 0 HA MET A 10 -13.217 7.269 -19.674 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.052 7.317 -21.837 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.782 7.107 -20.119 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.112 4.999 -20.140 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.471 5.220 -21.840 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.597 3.948 -19.802 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.961 5.688 -19.732 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.135 4.508 -19.103 1.00 0.00 H new ATOM 164 N THR A 11 -12.949 9.694 -19.399 1.00 0.00 N ATOM 165 CA THR A 11 -12.764 11.123 -19.180 1.00 0.00 C ATOM 166 C THR A 11 -11.663 11.347 -18.151 1.00 0.00 C ATOM 167 O THR A 11 -10.982 12.373 -18.161 1.00 0.00 O ATOM 168 CB THR A 11 -14.069 11.760 -18.692 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.165 11.165 -19.370 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.044 13.262 -18.980 1.00 0.00 C ATOM 0 H THR A 11 -13.361 9.195 -18.611 1.00 0.00 H new ATOM 0 HA THR A 11 -12.478 11.590 -20.123 1.00 0.00 H new ATOM 0 HB THR A 11 -14.174 11.600 -17.619 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.001 11.570 -19.058 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.973 13.715 -18.633 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.201 13.718 -18.460 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.940 13.425 -20.053 1.00 0.00 H new ATOM 178 N CYS A 12 -11.497 10.368 -17.266 1.00 0.00 N ATOM 179 CA CYS A 12 -10.479 10.444 -16.227 1.00 0.00 C ATOM 180 C CYS A 12 -9.248 9.643 -16.631 1.00 0.00 C ATOM 181 O CYS A 12 -8.547 9.104 -15.777 1.00 0.00 O ATOM 182 CB CYS A 12 -11.042 9.901 -14.913 1.00 0.00 C ATOM 183 SG CYS A 12 -11.828 11.246 -13.990 1.00 0.00 S ATOM 0 H CYS A 12 -12.055 9.514 -17.249 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.190 11.486 -16.094 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.767 9.112 -15.114 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.243 9.456 -14.319 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.737 11.009 -12.715 1.00 0.00 H new ATOM 189 N GLY A 13 -8.997 9.573 -17.938 1.00 0.00 N ATOM 190 CA GLY A 13 -7.848 8.835 -18.459 1.00 0.00 C ATOM 191 C GLY A 13 -6.829 8.558 -17.360 1.00 0.00 C ATOM 192 O GLY A 13 -6.420 7.416 -17.153 1.00 0.00 O ATOM 0 H GLY A 13 -9.573 10.017 -18.653 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.183 7.893 -18.894 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.378 9.406 -19.260 1.00 0.00 H new ATOM 196 N GLY A 14 -6.431 9.608 -16.650 1.00 0.00 N ATOM 197 CA GLY A 14 -5.469 9.463 -15.566 1.00 0.00 C ATOM 198 C GLY A 14 -6.050 8.613 -14.441 1.00 0.00 C ATOM 199 O GLY A 14 -5.453 7.618 -14.029 1.00 0.00 O ATOM 0 H GLY A 14 -6.757 10.562 -16.805 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.556 9.002 -15.943 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.195 10.446 -15.182 1.00 0.00 H new ATOM 203 N CYS A 15 -7.221 9.013 -13.949 1.00 0.00 N ATOM 204 CA CYS A 15 -7.878 8.281 -12.871 1.00 0.00 C ATOM 205 C CYS A 15 -8.622 7.067 -13.422 1.00 0.00 C ATOM 206 O CYS A 15 -8.525 5.969 -12.872 1.00 0.00 O ATOM 207 CB CYS A 15 -8.861 9.199 -12.141 1.00 0.00 C ATOM 208 SG CYS A 15 -8.757 10.867 -12.835 1.00 0.00 S ATOM 0 H CYS A 15 -7.730 9.834 -14.277 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.115 7.937 -12.172 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.876 8.815 -12.240 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.631 9.222 -11.076 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.950 11.286 -13.139 1.00 0.00 H new ATOM 214 N ALA A 16 -9.359 7.265 -14.512 1.00 0.00 N ATOM 215 CA ALA A 16 -10.108 6.169 -15.124 1.00 0.00 C ATOM 216 C ALA A 16 -9.176 5.007 -15.450 1.00 0.00 C ATOM 217 O ALA A 16 -9.576 3.844 -15.398 1.00 0.00 O ATOM 218 CB ALA A 16 -10.796 6.647 -16.403 1.00 0.00 C ATOM 0 H ALA A 16 -9.454 8.163 -14.986 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.864 5.832 -14.415 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.350 5.821 -16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.484 7.459 -16.165 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.045 7.003 -17.109 1.00 0.00 H new ATOM 224 N GLU A 17 -7.931 5.327 -15.789 1.00 0.00 N ATOM 225 CA GLU A 17 -6.957 4.294 -16.124 1.00 0.00 C ATOM 226 C GLU A 17 -6.711 3.384 -14.924 1.00 0.00 C ATOM 227 O GLU A 17 -6.690 2.161 -15.056 1.00 0.00 O ATOM 228 CB GLU A 17 -5.638 4.936 -16.556 1.00 0.00 C ATOM 229 CG GLU A 17 -4.492 3.947 -16.334 1.00 0.00 C ATOM 230 CD GLU A 17 -3.367 4.218 -17.328 1.00 0.00 C ATOM 231 OE1 GLU A 17 -3.619 4.127 -18.518 1.00 0.00 O ATOM 232 OE2 GLU A 17 -2.269 4.509 -16.883 1.00 0.00 O ATOM 0 H GLU A 17 -7.576 6.282 -15.839 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.356 3.699 -16.945 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.687 5.222 -17.607 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.461 5.848 -15.986 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.117 4.036 -15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.854 2.926 -16.452 1.00 0.00 H new ATOM 239 N ALA A 18 -6.534 3.988 -13.754 1.00 0.00 N ATOM 240 CA ALA A 18 -6.298 3.219 -12.537 1.00 0.00 C ATOM 241 C ALA A 18 -7.560 2.458 -12.147 1.00 0.00 C ATOM 242 O ALA A 18 -7.496 1.392 -11.533 1.00 0.00 O ATOM 243 CB ALA A 18 -5.891 4.157 -11.399 1.00 0.00 C ATOM 0 H ALA A 18 -6.549 4.999 -13.622 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.494 2.507 -12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.716 3.576 -10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.978 4.686 -11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.688 4.878 -11.219 1.00 0.00 H new ATOM 249 N VAL A 19 -8.704 3.019 -12.515 1.00 0.00 N ATOM 250 CA VAL A 19 -9.990 2.404 -12.214 1.00 0.00 C ATOM 251 C VAL A 19 -10.109 1.039 -12.888 1.00 0.00 C ATOM 252 O VAL A 19 -10.707 0.114 -12.336 1.00 0.00 O ATOM 253 CB VAL A 19 -11.124 3.316 -12.681 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.453 2.569 -12.580 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.172 4.563 -11.794 1.00 0.00 C ATOM 0 H VAL A 19 -8.768 3.901 -13.024 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.061 2.263 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.951 3.611 -13.716 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.262 3.219 -12.913 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.419 1.680 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.627 2.274 -11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.980 5.215 -12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.346 4.267 -10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.224 5.096 -11.864 1.00 0.00 H new ATOM 265 N SER A 20 -9.548 0.922 -14.089 1.00 0.00 N ATOM 266 CA SER A 20 -9.612 -0.333 -14.835 1.00 0.00 C ATOM 267 C SER A 20 -9.044 -1.479 -14.004 1.00 0.00 C ATOM 268 O SER A 20 -9.517 -2.612 -14.093 1.00 0.00 O ATOM 269 CB SER A 20 -8.820 -0.208 -16.136 1.00 0.00 C ATOM 270 OG SER A 20 -7.433 -0.110 -15.835 1.00 0.00 O ATOM 0 H SER A 20 -9.048 1.674 -14.564 1.00 0.00 H new ATOM 0 HA SER A 20 -10.657 -0.545 -15.063 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.005 -1.073 -16.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.146 0.672 -16.691 1.00 0.00 H new ATOM 0 HG SER A 20 -7.174 0.834 -15.791 1.00 0.00 H new ATOM 276 N ARG A 21 -8.039 -1.180 -13.190 1.00 0.00 N ATOM 277 CA ARG A 21 -7.436 -2.200 -12.342 1.00 0.00 C ATOM 278 C ARG A 21 -8.512 -2.847 -11.475 1.00 0.00 C ATOM 279 O ARG A 21 -8.517 -4.060 -11.265 1.00 0.00 O ATOM 280 CB ARG A 21 -6.360 -1.575 -11.451 1.00 0.00 C ATOM 281 CG ARG A 21 -5.151 -1.192 -12.306 1.00 0.00 C ATOM 282 CD ARG A 21 -4.193 -0.332 -11.480 1.00 0.00 C ATOM 283 NE ARG A 21 -3.916 -0.970 -10.200 1.00 0.00 N ATOM 284 CZ ARG A 21 -3.604 -0.248 -9.128 1.00 0.00 C ATOM 285 NH1 ARG A 21 -3.554 1.052 -9.212 1.00 0.00 N ATOM 286 NH2 ARG A 21 -3.350 -0.840 -7.994 1.00 0.00 N ATOM 0 H ARG A 21 -7.628 -0.251 -13.099 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.974 -2.960 -12.973 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.757 -0.694 -10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.061 -2.279 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.641 -2.089 -12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.477 -0.645 -13.191 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.263 -0.183 -12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.628 0.654 -11.316 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.962 -1.986 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.754 1.514 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.315 1.607 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.391 -1.857 -7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.111 -0.286 -7.172 1.00 0.00 H new ATOM 300 N VAL A 22 -9.427 -2.017 -10.985 1.00 0.00 N ATOM 301 CA VAL A 22 -10.521 -2.492 -10.145 1.00 0.00 C ATOM 302 C VAL A 22 -11.346 -3.544 -10.880 1.00 0.00 C ATOM 303 O VAL A 22 -12.069 -4.325 -10.259 1.00 0.00 O ATOM 304 CB VAL A 22 -11.422 -1.317 -9.762 1.00 0.00 C ATOM 305 CG1 VAL A 22 -12.550 -1.808 -8.855 1.00 0.00 C ATOM 306 CG2 VAL A 22 -10.595 -0.263 -9.022 1.00 0.00 C ATOM 0 H VAL A 22 -9.433 -1.011 -11.155 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.098 -2.942 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.849 -0.879 -10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.190 -0.969 -8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.139 -2.559 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.126 -2.247 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.235 0.575 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.168 -0.703 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.792 0.090 -9.669 1.00 0.00 H new ATOM 316 N LEU A 23 -11.241 -3.554 -12.204 1.00 0.00 N ATOM 317 CA LEU A 23 -11.989 -4.508 -13.015 1.00 0.00 C ATOM 318 C LEU A 23 -11.619 -5.939 -12.638 1.00 0.00 C ATOM 319 O LEU A 23 -12.461 -6.836 -12.668 1.00 0.00 O ATOM 320 CB LEU A 23 -11.692 -4.274 -14.497 1.00 0.00 C ATOM 321 CG LEU A 23 -12.580 -5.182 -15.351 1.00 0.00 C ATOM 322 CD1 LEU A 23 -14.047 -4.803 -15.145 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.212 -5.008 -16.826 1.00 0.00 C ATOM 0 H LEU A 23 -10.649 -2.916 -12.736 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.053 -4.361 -12.829 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.870 -3.230 -14.753 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.641 -4.478 -14.704 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.429 -6.220 -15.056 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.679 -5.450 -15.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.310 -4.923 -14.094 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.200 -3.765 -15.440 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.843 -5.654 -17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.364 -3.969 -17.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.166 -5.277 -16.974 1.00 0.00 H new ATOM 335 N ASN A 24 -10.357 -6.147 -12.277 1.00 0.00 N ATOM 336 CA ASN A 24 -9.896 -7.475 -11.891 1.00 0.00 C ATOM 337 C ASN A 24 -10.548 -7.911 -10.582 1.00 0.00 C ATOM 338 O ASN A 24 -10.849 -9.088 -10.389 1.00 0.00 O ATOM 339 CB ASN A 24 -8.375 -7.471 -11.727 1.00 0.00 C ATOM 340 CG ASN A 24 -7.879 -8.886 -11.455 1.00 0.00 C ATOM 341 OD1 ASN A 24 -8.193 -9.467 -10.418 1.00 0.00 O ATOM 342 ND2 ASN A 24 -7.117 -9.478 -12.333 1.00 0.00 N ATOM 0 H ASN A 24 -9.642 -5.421 -12.244 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.177 -8.178 -12.675 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.904 -7.078 -12.628 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.091 -6.813 -10.906 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.780 -10.425 -12.160 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.858 -8.994 -13.193 1.00 0.00 H new ATOM 349 N LYS A 25 -10.762 -6.955 -9.685 1.00 0.00 N ATOM 350 CA LYS A 25 -11.378 -7.258 -8.397 1.00 0.00 C ATOM 351 C LYS A 25 -12.825 -7.703 -8.581 1.00 0.00 C ATOM 352 O LYS A 25 -13.270 -8.671 -7.964 1.00 0.00 O ATOM 353 CB LYS A 25 -11.339 -6.024 -7.495 1.00 0.00 C ATOM 354 CG LYS A 25 -9.932 -5.428 -7.506 1.00 0.00 C ATOM 355 CD LYS A 25 -9.891 -4.189 -6.611 1.00 0.00 C ATOM 356 CE LYS A 25 -8.477 -3.606 -6.620 1.00 0.00 C ATOM 357 NZ LYS A 25 -7.485 -4.716 -6.690 1.00 0.00 N ATOM 0 H LYS A 25 -10.521 -5.973 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.816 -8.069 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.061 -5.285 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.623 -6.295 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.211 -6.166 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.647 -5.163 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.605 -3.446 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.182 -4.451 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.353 -2.938 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.311 -3.011 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.545 -4.358 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.764 -5.473 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.453 -5.093 -7.659 1.00 0.00 H new ATOM 371 N LEU A 26 -13.558 -6.988 -9.429 1.00 0.00 N ATOM 372 CA LEU A 26 -14.954 -7.315 -9.678 1.00 0.00 C ATOM 373 C LEU A 26 -15.076 -8.459 -10.677 1.00 0.00 C ATOM 374 O LEU A 26 -15.924 -9.338 -10.528 1.00 0.00 O ATOM 375 CB LEU A 26 -15.684 -6.085 -10.223 1.00 0.00 C ATOM 376 CG LEU A 26 -16.963 -5.846 -9.418 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.781 -7.138 -9.357 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.594 -5.407 -7.999 1.00 0.00 C ATOM 0 H LEU A 26 -13.210 -6.184 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.405 -7.626 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.037 -5.210 -10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.927 -6.231 -11.275 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.555 -5.067 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.691 -6.965 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.043 -7.451 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.192 -7.919 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.503 -5.236 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.002 -6.186 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.013 -4.486 -8.043 1.00 0.00 H new ATOM 390 N GLY A 27 -14.231 -8.435 -11.701 1.00 0.00 N ATOM 391 CA GLY A 27 -14.266 -9.472 -12.724 1.00 0.00 C ATOM 392 C GLY A 27 -13.175 -10.514 -12.500 1.00 0.00 C ATOM 393 O GLY A 27 -13.429 -11.715 -12.587 1.00 0.00 O ATOM 0 H GLY A 27 -13.521 -7.717 -11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.242 -9.958 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.142 -9.019 -13.708 1.00 0.00 H new ATOM 397 N GLY A 28 -11.959 -10.052 -12.226 1.00 0.00 N ATOM 398 CA GLY A 28 -10.848 -10.970 -12.012 1.00 0.00 C ATOM 399 C GLY A 28 -10.704 -11.898 -13.209 1.00 0.00 C ATOM 400 O GLY A 28 -10.227 -13.026 -13.085 1.00 0.00 O ATOM 0 H GLY A 28 -11.721 -9.063 -12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.925 -10.409 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.016 -11.553 -11.107 1.00 0.00 H new ATOM 404 N VAL A 29 -11.133 -11.410 -14.366 1.00 0.00 N ATOM 405 CA VAL A 29 -11.067 -12.188 -15.594 1.00 0.00 C ATOM 406 C VAL A 29 -10.198 -11.482 -16.627 1.00 0.00 C ATOM 407 O VAL A 29 -9.690 -10.388 -16.384 1.00 0.00 O ATOM 408 CB VAL A 29 -12.476 -12.380 -16.152 1.00 0.00 C ATOM 409 CG1 VAL A 29 -13.368 -13.013 -15.082 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.049 -11.019 -16.552 1.00 0.00 C ATOM 0 H VAL A 29 -11.531 -10.478 -14.479 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.625 -13.159 -15.372 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.438 -13.033 -17.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.373 -13.150 -15.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.958 -13.980 -14.792 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.409 -12.360 -14.210 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.055 -11.151 -16.951 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.088 -10.369 -15.678 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.413 -10.566 -17.313 1.00 0.00 H new ATOM 420 N LYS A 30 -10.033 -12.117 -17.781 1.00 0.00 N ATOM 421 CA LYS A 30 -9.225 -11.545 -18.847 1.00 0.00 C ATOM 422 C LYS A 30 -9.863 -10.265 -19.371 1.00 0.00 C ATOM 423 O LYS A 30 -11.075 -10.200 -19.578 1.00 0.00 O ATOM 424 CB LYS A 30 -9.079 -12.553 -19.989 1.00 0.00 C ATOM 425 CG LYS A 30 -7.815 -12.235 -20.791 1.00 0.00 C ATOM 426 CD LYS A 30 -8.060 -12.530 -22.271 1.00 0.00 C ATOM 427 CE LYS A 30 -6.921 -11.942 -23.105 1.00 0.00 C ATOM 428 NZ LYS A 30 -6.856 -12.640 -24.420 1.00 0.00 N ATOM 0 H LYS A 30 -10.446 -13.023 -18.001 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.240 -11.308 -18.446 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.024 -13.566 -19.590 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.954 -12.513 -20.638 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.542 -11.188 -20.659 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.980 -12.831 -20.424 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.125 -13.606 -22.432 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.012 -12.103 -22.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.080 -10.874 -23.256 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.974 -12.052 -22.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.081 -12.240 -24.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.685 -13.654 -24.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.756 -12.513 -24.925 1.00 0.00 H new ATOM 442 N TYR A 31 -9.038 -9.245 -19.573 1.00 0.00 N ATOM 443 CA TYR A 31 -9.532 -7.962 -20.065 1.00 0.00 C ATOM 444 C TYR A 31 -8.516 -7.299 -20.991 1.00 0.00 C ATOM 445 O TYR A 31 -7.360 -7.717 -21.067 1.00 0.00 O ATOM 446 CB TYR A 31 -9.822 -7.032 -18.886 1.00 0.00 C ATOM 447 CG TYR A 31 -8.519 -6.557 -18.290 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.613 -7.485 -17.762 1.00 0.00 C ATOM 449 CD2 TYR A 31 -8.214 -5.190 -18.263 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.403 -7.048 -17.209 1.00 0.00 C ATOM 451 CE2 TYR A 31 -7.004 -4.753 -17.710 1.00 0.00 C ATOM 452 CZ TYR A 31 -6.100 -5.682 -17.182 1.00 0.00 C ATOM 453 OH TYR A 31 -4.908 -5.251 -16.635 1.00 0.00 O ATOM 0 H TYR A 31 -8.032 -9.278 -19.406 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.447 -8.146 -20.628 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.415 -6.180 -19.218 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.410 -7.555 -18.132 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.848 -8.539 -17.781 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.912 -4.473 -18.669 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.704 -7.765 -16.804 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.768 -3.699 -17.691 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.854 -4.274 -16.697 1.00 0.00 H new ATOM 463 N ASP A 32 -8.960 -6.257 -21.688 1.00 0.00 N ATOM 464 CA ASP A 32 -8.090 -5.528 -22.605 1.00 0.00 C ATOM 465 C ASP A 32 -8.475 -4.051 -22.631 1.00 0.00 C ATOM 466 O ASP A 32 -9.648 -3.711 -22.786 1.00 0.00 O ATOM 467 CB ASP A 32 -8.202 -6.113 -24.014 1.00 0.00 C ATOM 468 CG ASP A 32 -8.448 -7.616 -23.937 1.00 0.00 C ATOM 469 OD1 ASP A 32 -7.552 -8.323 -23.504 1.00 0.00 O ATOM 470 OD2 ASP A 32 -9.529 -8.040 -24.314 1.00 0.00 O ATOM 0 H ASP A 32 -9.914 -5.900 -21.636 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.061 -5.623 -22.259 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.017 -5.630 -24.553 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.288 -5.914 -24.573 1.00 0.00 H new ATOM 475 N ILE A 33 -7.486 -3.178 -22.468 1.00 0.00 N ATOM 476 CA ILE A 33 -7.742 -1.744 -22.465 1.00 0.00 C ATOM 477 C ILE A 33 -7.122 -1.074 -23.688 1.00 0.00 C ATOM 478 O ILE A 33 -5.900 -1.009 -23.819 1.00 0.00 O ATOM 479 CB ILE A 33 -7.164 -1.124 -21.193 1.00 0.00 C ATOM 480 CG1 ILE A 33 -5.910 -1.896 -20.774 1.00 0.00 C ATOM 481 CG2 ILE A 33 -8.202 -1.191 -20.071 1.00 0.00 C ATOM 482 CD1 ILE A 33 -4.995 -0.981 -19.957 1.00 0.00 C ATOM 0 H ILE A 33 -6.508 -3.436 -22.337 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.820 -1.587 -22.497 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.905 -0.083 -21.384 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.188 -2.770 -20.185 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.383 -2.261 -21.656 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.788 -0.748 -19.165 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.095 -0.641 -20.368 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.464 -2.232 -19.879 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.102 -1.531 -19.659 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.706 -0.121 -20.562 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.524 -0.638 -19.068 1.00 0.00 H new ATOM 494 N ASP A 34 -7.974 -0.566 -24.575 1.00 0.00 N ATOM 495 CA ASP A 34 -7.497 0.108 -25.778 1.00 0.00 C ATOM 496 C ASP A 34 -7.686 1.617 -25.643 1.00 0.00 C ATOM 497 O ASP A 34 -8.789 2.133 -25.824 1.00 0.00 O ATOM 498 CB ASP A 34 -8.260 -0.402 -27.002 1.00 0.00 C ATOM 499 CG ASP A 34 -8.283 -1.928 -27.004 1.00 0.00 C ATOM 500 OD1 ASP A 34 -9.203 -2.486 -26.430 1.00 0.00 O ATOM 501 OD2 ASP A 34 -7.381 -2.514 -27.581 1.00 0.00 O ATOM 0 H ASP A 34 -8.989 -0.608 -24.485 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.436 -0.108 -25.904 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.279 -0.015 -26.993 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.788 -0.036 -27.914 1.00 0.00 H new ATOM 506 N LEU A 35 -6.605 2.315 -25.311 1.00 0.00 N ATOM 507 CA LEU A 35 -6.660 3.765 -25.138 1.00 0.00 C ATOM 508 C LEU A 35 -7.097 4.460 -26.427 1.00 0.00 C ATOM 509 O LEU A 35 -8.012 5.282 -26.418 1.00 0.00 O ATOM 510 CB LEU A 35 -5.285 4.291 -24.712 1.00 0.00 C ATOM 511 CG LEU A 35 -5.386 4.955 -23.336 1.00 0.00 C ATOM 512 CD1 LEU A 35 -5.440 3.878 -22.251 1.00 0.00 C ATOM 513 CD2 LEU A 35 -4.161 5.846 -23.112 1.00 0.00 C ATOM 0 H LEU A 35 -5.684 1.904 -25.157 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.395 3.985 -24.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.567 3.472 -24.679 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.917 5.008 -25.446 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.291 5.561 -23.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.512 4.351 -21.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.311 3.243 -22.412 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.536 3.271 -22.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.230 6.320 -22.133 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.257 5.239 -23.158 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.123 6.614 -23.885 1.00 0.00 H new ATOM 525 N PRO A 36 -6.453 4.153 -27.522 1.00 0.00 N ATOM 526 CA PRO A 36 -6.767 4.770 -28.845 1.00 0.00 C ATOM 527 C PRO A 36 -8.238 4.628 -29.235 1.00 0.00 C ATOM 528 O PRO A 36 -8.779 5.466 -29.957 1.00 0.00 O ATOM 529 CB PRO A 36 -5.873 4.012 -29.831 1.00 0.00 C ATOM 530 CG PRO A 36 -4.772 3.426 -29.011 1.00 0.00 C ATOM 531 CD PRO A 36 -5.350 3.184 -27.618 1.00 0.00 C ATOM 0 HA PRO A 36 -6.586 5.845 -28.831 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.433 3.233 -30.348 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.478 4.681 -30.595 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.415 2.494 -29.450 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.920 4.104 -28.965 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.706 2.160 -27.505 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.604 3.349 -26.841 1.00 0.00 H new ATOM 539 N ASN A 37 -8.877 3.564 -28.766 1.00 0.00 N ATOM 540 CA ASN A 37 -10.280 3.330 -29.092 1.00 0.00 C ATOM 541 C ASN A 37 -11.189 3.701 -27.922 1.00 0.00 C ATOM 542 O ASN A 37 -12.411 3.726 -28.062 1.00 0.00 O ATOM 543 CB ASN A 37 -10.490 1.858 -29.459 1.00 0.00 C ATOM 544 CG ASN A 37 -11.092 1.746 -30.856 1.00 0.00 C ATOM 545 OD1 ASN A 37 -12.181 1.195 -31.021 1.00 0.00 O ATOM 546 ND2 ASN A 37 -10.445 2.237 -31.878 1.00 0.00 N ATOM 0 H ASN A 37 -8.454 2.856 -28.166 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.540 3.962 -29.941 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.539 1.327 -29.421 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.149 1.384 -28.732 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.841 2.165 -32.815 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.543 2.693 -31.739 1.00 0.00 H new ATOM 553 N LYS A 38 -10.590 3.982 -26.771 1.00 0.00 N ATOM 554 CA LYS A 38 -11.369 4.342 -25.592 1.00 0.00 C ATOM 555 C LYS A 38 -12.439 3.292 -25.328 1.00 0.00 C ATOM 556 O LYS A 38 -13.564 3.618 -24.947 1.00 0.00 O ATOM 557 CB LYS A 38 -12.035 5.704 -25.794 1.00 0.00 C ATOM 558 CG LYS A 38 -11.023 6.691 -26.379 1.00 0.00 C ATOM 559 CD LYS A 38 -10.976 7.950 -25.511 1.00 0.00 C ATOM 560 CE LYS A 38 -9.971 8.942 -26.097 1.00 0.00 C ATOM 561 NZ LYS A 38 -8.599 8.595 -25.629 1.00 0.00 N ATOM 0 H LYS A 38 -9.580 3.968 -26.629 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.695 4.393 -24.737 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.890 5.606 -26.463 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.415 6.078 -24.843 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.036 6.231 -26.425 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.301 6.951 -27.400 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.965 8.406 -25.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.693 7.690 -24.491 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.012 8.917 -27.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.225 9.957 -25.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.915 9.270 -26.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.565 8.640 -24.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.358 7.633 -25.942 1.00 0.00 H new ATOM 575 N LYS A 39 -12.085 2.030 -25.535 1.00 0.00 N ATOM 576 CA LYS A 39 -13.025 0.940 -25.316 1.00 0.00 C ATOM 577 C LYS A 39 -12.377 -0.157 -24.484 1.00 0.00 C ATOM 578 O LYS A 39 -11.151 -0.265 -24.430 1.00 0.00 O ATOM 579 CB LYS A 39 -13.482 0.365 -26.658 1.00 0.00 C ATOM 580 CG LYS A 39 -14.500 1.310 -27.297 1.00 0.00 C ATOM 581 CD LYS A 39 -15.915 0.781 -27.051 1.00 0.00 C ATOM 582 CE LYS A 39 -16.286 -0.218 -28.148 1.00 0.00 C ATOM 583 NZ LYS A 39 -17.581 -0.872 -27.808 1.00 0.00 N ATOM 0 H LYS A 39 -11.161 1.738 -25.852 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.889 1.329 -24.778 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.626 0.234 -27.320 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.926 -0.620 -26.512 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.397 2.310 -26.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.313 1.393 -28.368 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.970 0.301 -26.074 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.626 1.607 -27.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.365 0.293 -29.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.503 -0.969 -28.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.042 -1.204 -28.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.406 -1.682 -27.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.200 -0.188 -27.328 1.00 0.00 H new ATOM 597 N VAL A 40 -13.202 -0.968 -23.836 1.00 0.00 N ATOM 598 CA VAL A 40 -12.685 -2.049 -23.009 1.00 0.00 C ATOM 599 C VAL A 40 -13.434 -3.349 -23.288 1.00 0.00 C ATOM 600 O VAL A 40 -14.650 -3.425 -23.119 1.00 0.00 O ATOM 601 CB VAL A 40 -12.824 -1.681 -21.529 1.00 0.00 C ATOM 602 CG1 VAL A 40 -11.979 -2.633 -20.679 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.340 -0.244 -21.317 1.00 0.00 C ATOM 0 H VAL A 40 -14.219 -0.900 -23.866 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.632 -2.196 -23.251 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.869 -1.764 -21.232 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.080 -2.368 -19.627 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.321 -3.657 -20.830 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.933 -2.553 -20.974 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.438 0.021 -20.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.295 -0.164 -21.616 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.943 0.436 -21.920 1.00 0.00 H new ATOM 613 N CYS A 41 -12.693 -4.370 -23.705 1.00 0.00 N ATOM 614 CA CYS A 41 -13.286 -5.670 -23.996 1.00 0.00 C ATOM 615 C CYS A 41 -12.913 -6.662 -22.901 1.00 0.00 C ATOM 616 O CYS A 41 -11.740 -6.986 -22.721 1.00 0.00 O ATOM 617 CB CYS A 41 -12.788 -6.181 -25.347 1.00 0.00 C ATOM 618 SG CYS A 41 -13.932 -5.655 -26.648 1.00 0.00 S ATOM 0 H CYS A 41 -11.684 -4.323 -23.849 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.370 -5.566 -24.034 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -11.789 -5.795 -25.548 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.713 -7.268 -25.332 1.00 0.00 H new ATOM 0 HG CYS A 41 -13.509 -6.087 -27.799 1.00 0.00 H new ATOM 624 N ILE A 42 -13.912 -7.124 -22.158 1.00 0.00 N ATOM 625 CA ILE A 42 -13.657 -8.057 -21.067 1.00 0.00 C ATOM 626 C ILE A 42 -14.507 -9.318 -21.178 1.00 0.00 C ATOM 627 O ILE A 42 -15.710 -9.257 -21.432 1.00 0.00 O ATOM 628 CB ILE A 42 -13.936 -7.371 -19.725 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.527 -8.379 -18.730 1.00 0.00 C ATOM 630 CG2 ILE A 42 -14.930 -6.228 -19.932 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.594 -7.751 -17.336 1.00 0.00 C ATOM 0 H ILE A 42 -14.892 -6.873 -22.288 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.610 -8.355 -21.129 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.000 -6.980 -19.327 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.524 -8.680 -19.052 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.915 -9.280 -18.704 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.128 -5.741 -18.977 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.511 -5.503 -20.630 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.861 -6.624 -20.337 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -15.014 -8.470 -16.633 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.591 -7.472 -17.014 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.225 -6.863 -17.367 1.00 0.00 H new ATOM 643 N GLU A 43 -13.867 -10.455 -20.934 1.00 0.00 N ATOM 644 CA GLU A 43 -14.556 -11.733 -20.952 1.00 0.00 C ATOM 645 C GLU A 43 -14.658 -12.243 -19.521 1.00 0.00 C ATOM 646 O GLU A 43 -13.645 -12.503 -18.873 1.00 0.00 O ATOM 647 CB GLU A 43 -13.777 -12.736 -21.804 1.00 0.00 C ATOM 648 CG GLU A 43 -12.453 -12.109 -22.231 1.00 0.00 C ATOM 649 CD GLU A 43 -11.636 -13.111 -23.041 1.00 0.00 C ATOM 650 OE1 GLU A 43 -11.467 -14.224 -22.570 1.00 0.00 O ATOM 651 OE2 GLU A 43 -11.192 -12.752 -24.119 1.00 0.00 O ATOM 0 H GLU A 43 -12.871 -10.515 -20.721 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.551 -11.613 -21.381 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.595 -13.649 -21.237 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.360 -13.017 -22.681 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.640 -11.215 -22.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.890 -11.795 -21.352 1.00 0.00 H new ATOM 658 N SER A 44 -15.879 -12.358 -19.022 1.00 0.00 N ATOM 659 CA SER A 44 -16.078 -12.809 -17.649 1.00 0.00 C ATOM 660 C SER A 44 -17.109 -13.925 -17.567 1.00 0.00 C ATOM 661 O SER A 44 -17.874 -14.157 -18.504 1.00 0.00 O ATOM 662 CB SER A 44 -16.537 -11.635 -16.783 1.00 0.00 C ATOM 663 OG SER A 44 -16.075 -11.825 -15.453 1.00 0.00 O ATOM 0 H SER A 44 -16.736 -12.150 -19.535 1.00 0.00 H new ATOM 0 HA SER A 44 -15.126 -13.197 -17.286 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.150 -10.699 -17.185 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.624 -11.562 -16.796 1.00 0.00 H new ATOM 0 HG SER A 44 -16.366 -11.074 -14.895 1.00 0.00 H new ATOM 669 N GLU A 45 -17.120 -14.608 -16.427 1.00 0.00 N ATOM 670 CA GLU A 45 -18.052 -15.697 -16.199 1.00 0.00 C ATOM 671 C GLU A 45 -19.456 -15.154 -15.953 1.00 0.00 C ATOM 672 O GLU A 45 -20.448 -15.765 -16.353 1.00 0.00 O ATOM 673 CB GLU A 45 -17.594 -16.501 -14.984 1.00 0.00 C ATOM 674 CG GLU A 45 -16.079 -16.713 -15.055 1.00 0.00 C ATOM 675 CD GLU A 45 -15.680 -17.916 -14.207 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.566 -18.639 -13.784 1.00 0.00 O ATOM 677 OE2 GLU A 45 -14.492 -18.096 -13.993 1.00 0.00 O ATOM 0 H GLU A 45 -16.490 -14.423 -15.646 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.076 -16.337 -17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.856 -15.975 -14.066 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.106 -17.463 -14.957 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.774 -16.870 -16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.562 -15.821 -14.702 1.00 0.00 H new ATOM 684 N HIS A 46 -19.530 -14.000 -15.295 1.00 0.00 N ATOM 685 CA HIS A 46 -20.816 -13.379 -15.002 1.00 0.00 C ATOM 686 C HIS A 46 -21.234 -12.458 -16.140 1.00 0.00 C ATOM 687 O HIS A 46 -22.318 -12.602 -16.705 1.00 0.00 O ATOM 688 CB HIS A 46 -20.727 -12.583 -13.699 1.00 0.00 C ATOM 689 CG HIS A 46 -19.741 -13.242 -12.775 1.00 0.00 C ATOM 690 ND1 HIS A 46 -19.687 -14.618 -12.614 1.00 0.00 N ATOM 691 CD2 HIS A 46 -18.764 -12.731 -11.957 1.00 0.00 C ATOM 692 CE1 HIS A 46 -18.709 -14.885 -11.729 1.00 0.00 C ATOM 693 NE2 HIS A 46 -18.113 -13.770 -11.297 1.00 0.00 N ATOM 0 H HIS A 46 -18.720 -13.480 -14.957 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.564 -14.165 -14.894 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.418 -11.558 -13.907 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.707 -12.531 -13.225 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.535 -11.682 -11.843 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.439 -15.880 -11.407 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.347 -13.696 -10.628 1.00 0.00 H new ATOM 701 N SER A 47 -20.364 -11.513 -16.472 1.00 0.00 N ATOM 702 CA SER A 47 -20.648 -10.573 -17.550 1.00 0.00 C ATOM 703 C SER A 47 -21.905 -9.767 -17.244 1.00 0.00 C ATOM 704 O SER A 47 -22.991 -10.327 -17.092 1.00 0.00 O ATOM 705 CB SER A 47 -20.838 -11.330 -18.864 1.00 0.00 C ATOM 706 OG SER A 47 -20.272 -12.628 -18.741 1.00 0.00 O ATOM 0 H SER A 47 -19.462 -11.377 -16.015 1.00 0.00 H new ATOM 0 HA SER A 47 -19.804 -9.889 -17.640 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.898 -11.404 -19.105 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.362 -10.789 -19.682 1.00 0.00 H new ATOM 0 HG SER A 47 -19.296 -12.556 -18.696 1.00 0.00 H new ATOM 712 N MET A 48 -21.752 -8.450 -17.157 1.00 0.00 N ATOM 713 CA MET A 48 -22.883 -7.576 -16.871 1.00 0.00 C ATOM 714 C MET A 48 -23.020 -7.353 -15.369 1.00 0.00 C ATOM 715 O MET A 48 -24.021 -7.736 -14.761 1.00 0.00 O ATOM 716 CB MET A 48 -24.171 -8.196 -17.420 1.00 0.00 C ATOM 717 CG MET A 48 -25.176 -7.089 -17.738 1.00 0.00 C ATOM 718 SD MET A 48 -24.854 -6.443 -19.399 1.00 0.00 S ATOM 719 CE MET A 48 -26.284 -5.336 -19.490 1.00 0.00 C ATOM 0 H MET A 48 -20.862 -7.967 -17.280 1.00 0.00 H new ATOM 0 HA MET A 48 -22.709 -6.614 -17.353 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.954 -8.774 -18.318 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.594 -8.887 -16.691 1.00 0.00 H new ATOM 0 HG2 MET A 48 -26.193 -7.477 -17.678 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.097 -6.288 -17.003 1.00 0.00 H new ATOM 0 HE1 MET A 48 -26.798 -5.483 -20.440 1.00 0.00 H new ATOM 0 HE2 MET A 48 -26.967 -5.556 -18.670 1.00 0.00 H new ATOM 0 HE3 MET A 48 -25.949 -4.302 -19.415 1.00 0.00 H new ATOM 729 N ASP A 49 -22.006 -6.734 -14.776 1.00 0.00 N ATOM 730 CA ASP A 49 -22.017 -6.466 -13.343 1.00 0.00 C ATOM 731 C ASP A 49 -20.651 -5.962 -12.887 1.00 0.00 C ATOM 732 O ASP A 49 -20.552 -5.026 -12.094 1.00 0.00 O ATOM 733 CB ASP A 49 -22.372 -7.746 -12.579 1.00 0.00 C ATOM 734 CG ASP A 49 -23.706 -7.576 -11.860 1.00 0.00 C ATOM 735 OD1 ASP A 49 -24.001 -6.465 -11.451 1.00 0.00 O ATOM 736 OD2 ASP A 49 -24.414 -8.561 -11.729 1.00 0.00 O ATOM 0 H ASP A 49 -21.170 -6.410 -15.262 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.764 -5.699 -13.137 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.427 -8.587 -13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.588 -7.977 -11.858 1.00 0.00 H new ATOM 741 N THR A 50 -19.602 -6.600 -13.393 1.00 0.00 N ATOM 742 CA THR A 50 -18.238 -6.228 -13.036 1.00 0.00 C ATOM 743 C THR A 50 -17.781 -4.988 -13.806 1.00 0.00 C ATOM 744 O THR A 50 -17.028 -4.165 -13.286 1.00 0.00 O ATOM 745 CB THR A 50 -17.291 -7.395 -13.335 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.968 -6.903 -13.482 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.718 -8.096 -14.629 1.00 0.00 C ATOM 0 H THR A 50 -19.670 -7.376 -14.051 1.00 0.00 H new ATOM 0 HA THR A 50 -18.217 -5.996 -11.971 1.00 0.00 H new ATOM 0 HB THR A 50 -17.330 -8.107 -12.511 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.524 -7.374 -14.217 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.040 -8.924 -14.835 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.733 -8.477 -14.518 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.685 -7.386 -15.455 1.00 0.00 H new ATOM 755 N LEU A 51 -18.225 -4.876 -15.052 1.00 0.00 N ATOM 756 CA LEU A 51 -17.844 -3.753 -15.906 1.00 0.00 C ATOM 757 C LEU A 51 -18.370 -2.414 -15.382 1.00 0.00 C ATOM 758 O LEU A 51 -17.614 -1.451 -15.252 1.00 0.00 O ATOM 759 CB LEU A 51 -18.381 -3.985 -17.319 1.00 0.00 C ATOM 760 CG LEU A 51 -18.397 -5.488 -17.615 1.00 0.00 C ATOM 761 CD1 LEU A 51 -19.768 -6.073 -17.266 1.00 0.00 C ATOM 762 CD2 LEU A 51 -18.113 -5.719 -19.100 1.00 0.00 C ATOM 0 H LEU A 51 -18.850 -5.549 -15.496 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.755 -3.701 -15.909 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.386 -3.574 -17.410 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.757 -3.466 -18.047 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.632 -5.978 -17.013 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.772 -7.142 -17.479 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.973 -5.913 -16.207 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.536 -5.581 -17.863 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.124 -6.788 -19.311 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.878 -5.223 -19.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.134 -5.310 -19.351 1.00 0.00 H new ATOM 774 N LEU A 52 -19.670 -2.349 -15.116 1.00 0.00 N ATOM 775 CA LEU A 52 -20.290 -1.112 -14.646 1.00 0.00 C ATOM 776 C LEU A 52 -19.666 -0.609 -13.344 1.00 0.00 C ATOM 777 O LEU A 52 -19.329 0.569 -13.228 1.00 0.00 O ATOM 778 CB LEU A 52 -21.791 -1.325 -14.436 1.00 0.00 C ATOM 779 CG LEU A 52 -22.054 -2.759 -13.966 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.317 -2.786 -13.102 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.245 -3.683 -15.175 1.00 0.00 C ATOM 0 H LEU A 52 -20.314 -3.134 -15.217 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.119 -0.357 -15.413 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.168 -0.617 -13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.328 -1.133 -15.365 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.200 -3.106 -13.384 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.506 -3.806 -12.766 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.179 -2.138 -12.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.166 -2.433 -13.688 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.431 -4.700 -14.830 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -23.094 -3.339 -15.765 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.345 -3.668 -15.790 1.00 0.00 H new ATOM 793 N ALA A 53 -19.539 -1.491 -12.360 1.00 0.00 N ATOM 794 CA ALA A 53 -18.984 -1.101 -11.068 1.00 0.00 C ATOM 795 C ALA A 53 -17.588 -0.496 -11.210 1.00 0.00 C ATOM 796 O ALA A 53 -17.298 0.552 -10.634 1.00 0.00 O ATOM 797 CB ALA A 53 -18.915 -2.322 -10.151 1.00 0.00 C ATOM 0 H ALA A 53 -19.810 -2.472 -12.429 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.639 -0.342 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.500 -2.030 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.917 -2.726 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.278 -3.082 -10.604 1.00 0.00 H new ATOM 803 N THR A 54 -16.725 -1.161 -11.966 1.00 0.00 N ATOM 804 CA THR A 54 -15.363 -0.677 -12.156 1.00 0.00 C ATOM 805 C THR A 54 -15.331 0.597 -12.998 1.00 0.00 C ATOM 806 O THR A 54 -14.687 1.576 -12.634 1.00 0.00 O ATOM 807 CB THR A 54 -14.517 -1.757 -12.830 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.234 -2.782 -11.889 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.207 -1.145 -13.328 1.00 0.00 C ATOM 0 H THR A 54 -16.940 -2.030 -12.454 1.00 0.00 H new ATOM 0 HA THR A 54 -14.953 -0.444 -11.173 1.00 0.00 H new ATOM 0 HB THR A 54 -15.063 -2.175 -13.676 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.844 -3.535 -12.032 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.605 -1.916 -13.808 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.425 -0.355 -14.046 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.657 -0.728 -12.485 1.00 0.00 H new ATOM 817 N LEU A 55 -16.015 0.571 -14.133 1.00 0.00 N ATOM 818 CA LEU A 55 -16.039 1.726 -15.024 1.00 0.00 C ATOM 819 C LEU A 55 -16.692 2.935 -14.354 1.00 0.00 C ATOM 820 O LEU A 55 -16.278 4.074 -14.575 1.00 0.00 O ATOM 821 CB LEU A 55 -16.801 1.373 -16.304 1.00 0.00 C ATOM 822 CG LEU A 55 -15.820 0.892 -17.381 1.00 0.00 C ATOM 823 CD1 LEU A 55 -14.790 -0.057 -16.765 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.592 0.151 -18.475 1.00 0.00 C ATOM 0 H LEU A 55 -16.557 -0.229 -14.458 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.009 1.988 -15.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.537 0.596 -16.097 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.350 2.244 -16.663 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.307 1.755 -17.806 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.098 -0.393 -17.537 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.237 0.464 -15.984 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.301 -0.919 -16.335 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.897 -0.192 -19.242 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.105 -0.707 -18.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.324 0.823 -18.923 1.00 0.00 H new ATOM 836 N LYS A 56 -17.719 2.687 -13.548 1.00 0.00 N ATOM 837 CA LYS A 56 -18.426 3.773 -12.869 1.00 0.00 C ATOM 838 C LYS A 56 -17.578 4.389 -11.757 1.00 0.00 C ATOM 839 O LYS A 56 -17.792 5.538 -11.372 1.00 0.00 O ATOM 840 CB LYS A 56 -19.735 3.249 -12.274 1.00 0.00 C ATOM 841 CG LYS A 56 -20.762 3.054 -13.390 1.00 0.00 C ATOM 842 CD LYS A 56 -21.899 2.162 -12.887 1.00 0.00 C ATOM 843 CE LYS A 56 -22.605 2.846 -11.715 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.163 2.222 -10.437 1.00 0.00 N ATOM 0 H LYS A 56 -18.080 1.754 -13.349 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.633 4.546 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.560 2.305 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.117 3.951 -11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -21.156 4.019 -13.709 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.288 2.601 -14.260 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.609 1.972 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.505 1.195 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.376 3.912 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -23.686 2.753 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -22.003 2.964 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -22.898 1.569 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -21.279 1.697 -10.595 1.00 0.00 H new ATOM 858 N LYS A 57 -16.626 3.622 -11.235 1.00 0.00 N ATOM 859 CA LYS A 57 -15.770 4.115 -10.158 1.00 0.00 C ATOM 860 C LYS A 57 -15.339 5.558 -10.419 1.00 0.00 C ATOM 861 O LYS A 57 -15.408 6.403 -9.525 1.00 0.00 O ATOM 862 CB LYS A 57 -14.534 3.223 -10.011 1.00 0.00 C ATOM 863 CG LYS A 57 -14.337 2.842 -8.541 1.00 0.00 C ATOM 864 CD LYS A 57 -13.801 4.046 -7.764 1.00 0.00 C ATOM 865 CE LYS A 57 -12.354 3.781 -7.344 1.00 0.00 C ATOM 866 NZ LYS A 57 -11.918 4.826 -6.374 1.00 0.00 N ATOM 0 H LYS A 57 -16.428 2.667 -11.535 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.344 4.087 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.650 2.324 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.652 3.745 -10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.282 2.511 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.641 2.007 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.853 4.943 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.418 4.228 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.271 2.793 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.703 3.787 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.934 4.646 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.983 5.763 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.532 4.799 -5.535 1.00 0.00 H new ATOM 880 N THR A 58 -14.891 5.838 -11.640 1.00 0.00 N ATOM 881 CA THR A 58 -14.449 7.185 -11.988 1.00 0.00 C ATOM 882 C THR A 58 -15.634 8.058 -12.397 1.00 0.00 C ATOM 883 O THR A 58 -15.486 9.264 -12.599 1.00 0.00 O ATOM 884 CB THR A 58 -13.438 7.121 -13.135 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.125 5.763 -13.412 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.166 7.871 -12.739 1.00 0.00 C ATOM 0 H THR A 58 -14.825 5.158 -12.398 1.00 0.00 H new ATOM 0 HA THR A 58 -13.978 7.628 -11.110 1.00 0.00 H new ATOM 0 HB THR A 58 -13.866 7.584 -14.024 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.060 5.633 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.447 7.825 -13.557 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.409 8.912 -12.528 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.734 7.411 -11.850 1.00 0.00 H new ATOM 894 N GLY A 59 -16.809 7.447 -12.514 1.00 0.00 N ATOM 895 CA GLY A 59 -18.007 8.189 -12.893 1.00 0.00 C ATOM 896 C GLY A 59 -18.146 8.279 -14.410 1.00 0.00 C ATOM 897 O GLY A 59 -18.904 9.102 -14.923 1.00 0.00 O ATOM 0 H GLY A 59 -16.957 6.451 -12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.887 7.702 -12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.965 9.192 -12.469 1.00 0.00 H new ATOM 901 N ALA A 60 -17.410 7.433 -15.122 1.00 0.00 N ATOM 902 CA ALA A 60 -17.463 7.435 -16.581 1.00 0.00 C ATOM 903 C ALA A 60 -18.745 6.769 -17.074 1.00 0.00 C ATOM 904 O ALA A 60 -19.202 5.780 -16.501 1.00 0.00 O ATOM 905 CB ALA A 60 -16.250 6.695 -17.150 1.00 0.00 C ATOM 0 H ALA A 60 -16.776 6.743 -14.719 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.451 8.470 -16.923 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.298 6.701 -18.239 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.336 7.191 -16.824 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.252 5.665 -16.793 1.00 0.00 H new ATOM 911 N THR A 61 -19.319 7.319 -18.140 1.00 0.00 N ATOM 912 CA THR A 61 -20.548 6.767 -18.703 1.00 0.00 C ATOM 913 C THR A 61 -20.331 5.321 -19.134 1.00 0.00 C ATOM 914 O THR A 61 -19.291 4.983 -19.699 1.00 0.00 O ATOM 915 CB THR A 61 -20.995 7.600 -19.908 1.00 0.00 C ATOM 916 OG1 THR A 61 -20.296 8.838 -19.913 1.00 0.00 O ATOM 917 CG2 THR A 61 -22.500 7.862 -19.821 1.00 0.00 C ATOM 0 H THR A 61 -18.958 8.139 -18.628 1.00 0.00 H new ATOM 0 HA THR A 61 -21.323 6.797 -17.937 1.00 0.00 H new ATOM 0 HB THR A 61 -20.776 7.055 -20.827 1.00 0.00 H new ATOM 0 HG1 THR A 61 -20.580 9.371 -20.685 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.816 8.455 -20.679 1.00 0.00 H new ATOM 0 HG22 THR A 61 -23.035 6.912 -19.819 1.00 0.00 H new ATOM 0 HG23 THR A 61 -22.722 8.406 -18.903 1.00 0.00 H new ATOM 925 N VAL A 62 -21.313 4.470 -18.860 1.00 0.00 N ATOM 926 CA VAL A 62 -21.210 3.061 -19.221 1.00 0.00 C ATOM 927 C VAL A 62 -22.391 2.633 -20.088 1.00 0.00 C ATOM 928 O VAL A 62 -23.545 2.933 -19.778 1.00 0.00 O ATOM 929 CB VAL A 62 -21.168 2.205 -17.956 1.00 0.00 C ATOM 930 CG1 VAL A 62 -21.334 0.732 -18.327 1.00 0.00 C ATOM 931 CG2 VAL A 62 -19.825 2.405 -17.246 1.00 0.00 C ATOM 0 H VAL A 62 -22.182 4.728 -18.393 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.292 2.920 -19.791 1.00 0.00 H new ATOM 0 HB VAL A 62 -21.978 2.504 -17.291 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.304 0.123 -17.423 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.291 0.589 -18.829 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.526 0.431 -18.994 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.796 1.794 -16.344 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -19.014 2.109 -17.911 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.708 3.455 -16.977 1.00 0.00 H new ATOM 941 N SER A 63 -22.093 1.925 -21.173 1.00 0.00 N ATOM 942 CA SER A 63 -23.133 1.455 -22.080 1.00 0.00 C ATOM 943 C SER A 63 -22.867 0.011 -22.492 1.00 0.00 C ATOM 944 O SER A 63 -21.799 -0.308 -23.013 1.00 0.00 O ATOM 945 CB SER A 63 -23.179 2.337 -23.329 1.00 0.00 C ATOM 946 OG SER A 63 -23.949 3.500 -23.054 1.00 0.00 O ATOM 0 H SER A 63 -21.145 1.665 -21.444 1.00 0.00 H new ATOM 0 HA SER A 63 -24.090 1.508 -21.562 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.169 2.618 -23.628 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.616 1.786 -24.162 1.00 0.00 H new ATOM 0 HG SER A 63 -23.979 4.068 -23.852 1.00 0.00 H new ATOM 952 N TYR A 64 -23.845 -0.858 -22.257 1.00 0.00 N ATOM 953 CA TYR A 64 -23.702 -2.262 -22.611 1.00 0.00 C ATOM 954 C TYR A 64 -24.148 -2.489 -24.052 1.00 0.00 C ATOM 955 O TYR A 64 -25.133 -1.908 -24.507 1.00 0.00 O ATOM 956 CB TYR A 64 -24.535 -3.132 -21.662 1.00 0.00 C ATOM 957 CG TYR A 64 -25.891 -3.402 -22.273 1.00 0.00 C ATOM 958 CD1 TYR A 64 -26.046 -4.444 -23.196 1.00 0.00 C ATOM 959 CD2 TYR A 64 -26.990 -2.608 -21.924 1.00 0.00 C ATOM 960 CE1 TYR A 64 -27.300 -4.693 -23.766 1.00 0.00 C ATOM 961 CE2 TYR A 64 -28.243 -2.856 -22.495 1.00 0.00 C ATOM 962 CZ TYR A 64 -28.398 -3.899 -23.417 1.00 0.00 C ATOM 963 OH TYR A 64 -29.632 -4.143 -23.981 1.00 0.00 O ATOM 0 H TYR A 64 -24.737 -0.616 -21.826 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.653 -2.542 -22.518 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.019 -4.073 -21.469 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.652 -2.630 -20.702 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -25.198 -5.055 -23.468 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -26.870 -1.803 -21.213 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -27.420 -5.498 -24.475 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -29.090 -2.243 -22.225 1.00 0.00 H new ATOM 0 HH TYR A 64 -30.285 -3.502 -23.630 1.00 0.00 H new ATOM 973 N LEU A 65 -23.416 -3.335 -24.762 1.00 0.00 N ATOM 974 CA LEU A 65 -23.744 -3.633 -26.151 1.00 0.00 C ATOM 975 C LEU A 65 -24.518 -4.945 -26.248 1.00 0.00 C ATOM 976 O LEU A 65 -25.398 -5.096 -27.096 1.00 0.00 O ATOM 977 CB LEU A 65 -22.464 -3.727 -26.981 1.00 0.00 C ATOM 978 CG LEU A 65 -21.495 -2.624 -26.550 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.132 -2.849 -27.210 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.050 -1.263 -26.978 1.00 0.00 C ATOM 0 H LEU A 65 -22.596 -3.825 -24.404 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.368 -2.828 -26.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.002 -4.705 -26.847 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.697 -3.627 -28.041 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.380 -2.647 -25.466 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.444 -2.062 -26.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.736 -3.818 -26.905 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.245 -2.828 -28.294 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.361 -0.476 -26.672 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.166 -1.242 -28.062 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.019 -1.100 -26.506 1.00 0.00 H new ATOM 992 N GLY A 66 -24.185 -5.889 -25.374 1.00 0.00 N ATOM 993 CA GLY A 66 -24.857 -7.184 -25.369 1.00 0.00 C ATOM 994 C GLY A 66 -23.884 -8.303 -25.014 1.00 0.00 C ATOM 995 O GLY A 66 -22.669 -8.143 -25.135 1.00 0.00 O ATOM 0 H GLY A 66 -23.459 -5.784 -24.665 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.677 -7.169 -24.651 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.294 -7.375 -26.349 1.00 0.00 H new